USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=39 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 116 SER OG : rot 77:sc= 1.14 USER MOD Set 1.2: A 117 HIS : no HD1:sc= 0.716 K(o=1.9,f=-1.5) USER MOD Set 2.1: A 101 SER OG : rot -113:sc= 1.23 USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 80 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 86 SER OG : rot 0:sc= 0.528 USER MOD Set 4.1: A 28 THR OG1 : rot -9:sc= 0.892 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= -7.72! C(o=-8.4!,f=-7.7!) USER MOD Single : A 1 ASN N :NH3+ -115:sc= -0.55 (180deg=-2.2!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 31:sc= 1.11 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc=-0.00968 (180deg=-0.132) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 30:sc= -0.181 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0373 USER MOD Single : A 37 TYR OH : rot -91:sc= -3.44! USER MOD Single : A 40 SER OG : rot -33:sc= -0.442 USER MOD Single : A 41 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.44) USER MOD Single : A 42 SER OG : rot -14:sc= 0.336 USER MOD Single : A 43 THR OG1 : rot -33:sc= -0.05! USER MOD Single : A 44 GLN :FLIP amide:sc= -0.55 F(o=-3.3!,f=-0.55) USER MOD Single : A 45 THR OG1 : rot 40:sc= -2.55 USER MOD Single : A 49 ASN : amide:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 50 SER OG : rot -57:sc= 0.25 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 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 88:sc= 0.562 USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= -1.54! (180deg=-5.44!) USER MOD Single : A 67 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-4.4!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.0838 F(o=-2.3!,f=-0.084) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= 0 (180deg=-2.01!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -2.4 F(o=-6.7!,f=-2.4) USER MOD Single : A 91 SER OG : rot -15:sc= 0.902 USER MOD Single : A 93 SER OG : rot 57:sc= 0.995 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -78:sc= 0.926 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 33.417 0.253 -0.271 1.00 0.00 N ATOM 21 CA ASN A 1 32.027 0.692 -0.287 1.00 0.00 C ATOM 22 C ASN A 1 31.272 0.099 -1.472 1.00 0.00 C ATOM 23 O ASN A 1 31.877 -0.417 -2.413 1.00 0.00 O ATOM 24 CB ASN A 1 31.948 2.220 -0.335 1.00 0.00 C ATOM 25 CG ASN A 1 32.157 2.853 1.027 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.419 3.925 1.298 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.963 2.380 1.828 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.587 -0.331 0.572 1.00 0.00 H new ATOM 0 H2 ASN A 1 33.614 -0.306 -1.125 1.00 0.00 H new ATOM 0 H3 ASN A 1 34.043 1.083 -0.249 1.00 0.00 H new ATOM 0 HA ASN A 1 31.559 0.337 0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.700 2.598 -1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.975 2.519 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.508 1.555 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.086 2.813 2.744 1.00 0.00 H new ATOM 34 N CYS A 2 29.945 0.179 -1.417 1.00 0.00 N ATOM 35 CA CYS A 2 29.097 -0.343 -2.483 1.00 0.00 C ATOM 36 C CYS A 2 28.885 0.709 -3.564 1.00 0.00 C ATOM 37 O CYS A 2 29.331 1.850 -3.431 1.00 0.00 O ATOM 38 CB CYS A 2 27.737 -0.775 -1.925 1.00 0.00 C ATOM 39 SG CYS A 2 27.735 -2.401 -1.102 1.00 0.00 S ATOM 0 H CYS A 2 29.433 0.602 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 2 29.599 -1.207 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 2 27.395 -0.023 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 2 27.014 -0.795 -2.741 1.00 0.00 H new ATOM 44 N GLY A 3 28.203 0.318 -4.632 1.00 0.00 N ATOM 45 CA GLY A 3 27.925 1.246 -5.711 1.00 0.00 C ATOM 46 C GLY A 3 26.675 2.054 -5.430 1.00 0.00 C ATOM 47 O GLY A 3 25.861 1.650 -4.602 1.00 0.00 O ATOM 0 H GLY A 3 27.837 -0.624 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.773 1.918 -5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.804 0.697 -6.645 1.00 0.00 H new ATOM 51 N PRO A 4 26.492 3.209 -6.096 1.00 0.00 N ATOM 52 CA PRO A 4 25.313 4.054 -5.889 1.00 0.00 C ATOM 53 C PRO A 4 24.027 3.234 -5.799 1.00 0.00 C ATOM 54 O PRO A 4 23.751 2.402 -6.662 1.00 0.00 O ATOM 55 CB PRO A 4 25.311 4.943 -7.130 1.00 0.00 C ATOM 56 CG PRO A 4 26.755 5.086 -7.476 1.00 0.00 C ATOM 57 CD PRO A 4 27.411 3.781 -7.099 1.00 0.00 C ATOM 0 HA PRO A 4 25.353 4.610 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.749 4.488 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.852 5.910 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.882 5.292 -8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.204 5.918 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.522 3.124 -7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.408 3.937 -6.687 1.00 0.00 H new ATOM 65 N PRO A 5 23.223 3.466 -4.745 1.00 0.00 N ATOM 66 CA PRO A 5 21.973 2.735 -4.528 1.00 0.00 C ATOM 67 C PRO A 5 20.982 2.901 -5.674 1.00 0.00 C ATOM 68 O PRO A 5 20.573 4.016 -5.998 1.00 0.00 O ATOM 69 CB PRO A 5 21.406 3.342 -3.239 1.00 0.00 C ATOM 70 CG PRO A 5 22.105 4.648 -3.081 1.00 0.00 C ATOM 71 CD PRO A 5 23.464 4.463 -3.690 1.00 0.00 C ATOM 0 HA PRO A 5 22.151 1.661 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.327 3.479 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 5 21.589 2.691 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.558 5.447 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.182 4.925 -2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.853 5.396 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.189 4.108 -2.958 1.00 0.00 H new ATOM 79 N PRO A 6 20.587 1.782 -6.306 1.00 0.00 N ATOM 80 CA PRO A 6 19.627 1.787 -7.414 1.00 0.00 C ATOM 81 C PRO A 6 18.329 2.475 -7.029 1.00 0.00 C ATOM 82 O PRO A 6 18.144 2.947 -5.907 1.00 0.00 O ATOM 83 CB PRO A 6 19.354 0.299 -7.675 1.00 0.00 C ATOM 84 CG PRO A 6 19.937 -0.436 -6.515 1.00 0.00 C ATOM 85 CD PRO A 6 21.049 0.422 -5.993 1.00 0.00 C ATOM 0 HA PRO A 6 20.017 2.323 -8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.284 0.108 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.811 -0.023 -8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.185 -0.609 -5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.310 -1.413 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.199 0.282 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.997 0.195 -6.480 1.00 0.00 H new ATOM 93 N THR A 7 17.436 2.508 -8.012 1.00 0.00 N ATOM 94 CA THR A 7 16.121 3.096 -7.845 1.00 0.00 C ATOM 95 C THR A 7 15.133 1.992 -7.506 1.00 0.00 C ATOM 96 O THR A 7 15.073 0.973 -8.196 1.00 0.00 O ATOM 97 CB THR A 7 15.656 3.836 -9.114 1.00 0.00 C ATOM 98 OG1 THR A 7 16.643 4.797 -9.511 1.00 0.00 O ATOM 99 CG2 THR A 7 14.328 4.540 -8.875 1.00 0.00 C ATOM 0 H THR A 7 17.607 2.128 -8.943 1.00 0.00 H new ATOM 0 HA THR A 7 16.172 3.829 -7.040 1.00 0.00 H new ATOM 0 HB THR A 7 15.523 3.100 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.341 5.262 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.020 5.055 -9.785 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.571 3.805 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.440 5.264 -8.068 1.00 0.00 H new ATOM 107 N LEU A 8 14.362 2.188 -6.452 1.00 0.00 N ATOM 108 CA LEU A 8 13.392 1.193 -6.033 1.00 0.00 C ATOM 109 C LEU A 8 11.974 1.651 -6.336 1.00 0.00 C ATOM 110 O LEU A 8 11.463 2.568 -5.700 1.00 0.00 O ATOM 111 CB LEU A 8 13.543 0.921 -4.534 1.00 0.00 C ATOM 112 CG LEU A 8 14.967 0.590 -4.074 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.842 1.835 -4.073 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.947 -0.042 -2.690 1.00 0.00 C ATOM 0 H LEU A 8 14.389 3.026 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 8 13.580 0.275 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.194 1.796 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.888 0.093 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 8 15.391 -0.125 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.847 1.573 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.887 2.249 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.419 2.576 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.967 -0.270 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.498 0.652 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.362 -0.961 -2.718 1.00 0.00 H new ATOM 126 N SER A 9 11.342 1.016 -7.318 1.00 0.00 N ATOM 127 CA SER A 9 9.977 1.361 -7.684 1.00 0.00 C ATOM 128 C SER A 9 9.022 0.996 -6.557 1.00 0.00 C ATOM 129 O SER A 9 7.879 1.452 -6.523 1.00 0.00 O ATOM 130 CB SER A 9 9.569 0.647 -8.974 1.00 0.00 C ATOM 131 OG SER A 9 9.598 -0.761 -8.812 1.00 0.00 O ATOM 0 H SER A 9 11.753 0.264 -7.871 1.00 0.00 H new ATOM 0 HA SER A 9 9.927 2.437 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.567 0.962 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.242 0.937 -9.781 1.00 0.00 H new ATOM 0 HG SER A 9 9.331 -1.192 -9.651 1.00 0.00 H new ATOM 137 N PHE A 10 9.499 0.166 -5.633 1.00 0.00 N ATOM 138 CA PHE A 10 8.692 -0.250 -4.496 1.00 0.00 C ATOM 139 C PHE A 10 8.935 0.671 -3.305 1.00 0.00 C ATOM 140 O PHE A 10 8.292 0.541 -2.263 1.00 0.00 O ATOM 141 CB PHE A 10 8.972 -1.708 -4.121 1.00 0.00 C ATOM 142 CG PHE A 10 10.429 -2.052 -4.021 1.00 0.00 C ATOM 143 CD1 PHE A 10 11.159 -2.370 -5.155 1.00 0.00 C ATOM 144 CD2 PHE A 10 11.067 -2.065 -2.792 1.00 0.00 C ATOM 145 CE1 PHE A 10 12.498 -2.694 -5.066 1.00 0.00 C ATOM 146 CE2 PHE A 10 12.406 -2.390 -2.696 1.00 0.00 C ATOM 147 CZ PHE A 10 13.124 -2.704 -3.835 1.00 0.00 C ATOM 0 H PHE A 10 10.439 -0.230 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 10 7.643 -0.177 -4.782 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.494 -1.923 -3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.508 -2.357 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.675 -2.364 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.512 -1.818 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.055 -2.939 -5.958 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.892 -2.399 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.172 -2.956 -3.762 1.00 0.00 H new ATOM 157 N ALA A 11 9.875 1.600 -3.466 1.00 0.00 N ATOM 158 CA ALA A 11 10.185 2.558 -2.411 1.00 0.00 C ATOM 159 C ALA A 11 10.596 3.907 -2.998 1.00 0.00 C ATOM 160 O ALA A 11 10.398 4.192 -4.179 1.00 0.00 O ATOM 161 CB ALA A 11 11.274 2.012 -1.502 1.00 0.00 C ATOM 0 H ALA A 11 10.432 1.708 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 11 9.284 2.713 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.494 2.739 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.935 1.081 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.175 1.824 -2.086 1.00 0.00 H new ATOM 167 N ALA A 12 11.158 4.732 -2.120 1.00 0.00 N ATOM 168 CA ALA A 12 11.584 6.074 -2.499 1.00 0.00 C ATOM 169 C ALA A 12 12.489 6.674 -1.423 1.00 0.00 C ATOM 170 O ALA A 12 12.259 6.468 -0.233 1.00 0.00 O ATOM 171 CB ALA A 12 10.377 6.969 -2.739 1.00 0.00 C ATOM 0 H ALA A 12 11.329 4.495 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 12 12.152 6.005 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.714 7.967 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.768 6.552 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.783 7.031 -1.827 1.00 0.00 H new ATOM 177 N PRO A 13 13.536 7.423 -1.825 1.00 0.00 N ATOM 178 CA PRO A 13 14.466 8.042 -0.875 1.00 0.00 C ATOM 179 C PRO A 13 13.732 8.767 0.246 1.00 0.00 C ATOM 180 O PRO A 13 12.671 9.352 0.026 1.00 0.00 O ATOM 181 CB PRO A 13 15.245 9.032 -1.741 1.00 0.00 C ATOM 182 CG PRO A 13 15.202 8.451 -3.113 1.00 0.00 C ATOM 183 CD PRO A 13 13.884 7.732 -3.225 1.00 0.00 C ATOM 0 HA PRO A 13 15.099 7.309 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.791 10.022 -1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.271 9.143 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.285 9.232 -3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.034 7.765 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.126 8.356 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.971 6.827 -3.825 1.00 0.00 H new ATOM 191 N MET A 14 14.302 8.728 1.448 1.00 0.00 N ATOM 192 CA MET A 14 13.675 9.374 2.595 1.00 0.00 C ATOM 193 C MET A 14 14.682 10.138 3.445 1.00 0.00 C ATOM 194 O MET A 14 14.348 11.157 4.050 1.00 0.00 O ATOM 195 CB MET A 14 12.955 8.333 3.456 1.00 0.00 C ATOM 196 CG MET A 14 12.133 8.940 4.582 1.00 0.00 C ATOM 197 SD MET A 14 11.326 7.694 5.606 1.00 0.00 S ATOM 198 CE MET A 14 10.373 8.732 6.711 1.00 0.00 C ATOM 0 H MET A 14 15.186 8.262 1.651 1.00 0.00 H new ATOM 0 HA MET A 14 12.955 10.095 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.301 7.737 2.820 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.692 7.652 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.780 9.555 5.208 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.377 9.601 4.159 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.816 8.106 7.408 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.046 9.385 7.267 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.677 9.338 6.131 1.00 0.00 H new ATOM 208 N ASP A 15 15.914 9.648 3.490 1.00 0.00 N ATOM 209 CA ASP A 15 16.955 10.295 4.283 1.00 0.00 C ATOM 210 C ASP A 15 18.349 9.841 3.861 1.00 0.00 C ATOM 211 O ASP A 15 19.335 10.134 4.539 1.00 0.00 O ATOM 212 CB ASP A 15 16.738 9.995 5.768 1.00 0.00 C ATOM 213 CG ASP A 15 17.506 10.941 6.671 1.00 0.00 C ATOM 214 OD1 ASP A 15 16.957 12.007 7.016 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.655 10.614 7.034 1.00 0.00 O ATOM 0 H ASP A 15 16.217 8.811 2.991 1.00 0.00 H new ATOM 0 HA ASP A 15 16.888 11.369 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.675 10.063 5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.044 8.970 5.977 1.00 0.00 H new ATOM 220 N ILE A 16 18.435 9.131 2.742 1.00 0.00 N ATOM 221 CA ILE A 16 19.722 8.648 2.251 1.00 0.00 C ATOM 222 C ILE A 16 20.586 9.798 1.772 1.00 0.00 C ATOM 223 O ILE A 16 21.807 9.676 1.678 1.00 0.00 O ATOM 224 CB ILE A 16 19.562 7.620 1.101 1.00 0.00 C ATOM 225 CG1 ILE A 16 20.172 8.151 -0.205 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.099 7.272 0.891 1.00 0.00 C ATOM 227 CD1 ILE A 16 20.258 7.118 -1.307 1.00 0.00 C ATOM 0 H ILE A 16 17.636 8.878 2.161 1.00 0.00 H new ATOM 0 HA ILE A 16 20.206 8.151 3.092 1.00 0.00 H new ATOM 0 HB ILE A 16 20.099 6.716 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 16 19.576 8.994 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.172 8.532 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.010 6.549 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.692 6.842 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 16 17.543 8.174 0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 16 20.699 7.570 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 16 20.879 6.285 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 16 19.258 6.754 -1.543 1.00 0.00 H new ATOM 239 N THR A 17 19.934 10.913 1.495 1.00 0.00 N ATOM 240 CA THR A 17 20.602 12.102 0.990 1.00 0.00 C ATOM 241 C THR A 17 21.501 11.761 -0.188 1.00 0.00 C ATOM 242 O THR A 17 22.585 11.204 -0.019 1.00 0.00 O ATOM 243 CB THR A 17 21.441 12.810 2.062 1.00 0.00 C ATOM 244 OG1 THR A 17 22.422 11.917 2.601 1.00 0.00 O ATOM 245 CG2 THR A 17 20.559 13.342 3.181 1.00 0.00 C ATOM 0 H THR A 17 18.927 11.021 1.613 1.00 0.00 H new ATOM 0 HA THR A 17 19.809 12.780 0.673 1.00 0.00 H new ATOM 0 HB THR A 17 21.947 13.652 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 17 22.698 11.279 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.178 13.839 3.927 1.00 0.00 H new ATOM 0 HG22 THR A 17 19.842 14.054 2.772 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.023 12.515 3.647 1.00 0.00 H new ATOM 253 N LEU A 18 21.041 12.102 -1.379 1.00 0.00 N ATOM 254 CA LEU A 18 21.785 11.833 -2.589 1.00 0.00 C ATOM 255 C LEU A 18 22.927 12.828 -2.767 1.00 0.00 C ATOM 256 O LEU A 18 23.152 13.348 -3.861 1.00 0.00 O ATOM 257 CB LEU A 18 20.839 11.884 -3.782 1.00 0.00 C ATOM 258 CG LEU A 18 20.090 10.577 -4.062 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.074 9.458 -4.358 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.205 10.203 -2.882 1.00 0.00 C ATOM 0 H LEU A 18 20.147 12.570 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 18 22.226 10.839 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.109 12.677 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.410 12.157 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 18 19.455 10.725 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.528 8.536 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.671 9.720 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.731 9.314 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.682 9.272 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.821 10.073 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.478 10.996 -2.707 1.00 0.00 H new ATOM 272 N THR A 19 23.647 13.081 -1.682 1.00 0.00 N ATOM 273 CA THR A 19 24.771 14.006 -1.698 1.00 0.00 C ATOM 274 C THR A 19 26.090 13.245 -1.756 1.00 0.00 C ATOM 275 O THR A 19 27.148 13.827 -1.997 1.00 0.00 O ATOM 276 CB THR A 19 24.763 14.908 -0.451 1.00 0.00 C ATOM 277 OG1 THR A 19 25.245 14.179 0.685 1.00 0.00 O ATOM 278 CG2 THR A 19 23.356 15.417 -0.167 1.00 0.00 C ATOM 0 H THR A 19 23.470 12.654 -0.773 1.00 0.00 H new ATOM 0 HA THR A 19 24.671 14.629 -2.587 1.00 0.00 H new ATOM 0 HB THR A 19 25.416 15.760 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 19 25.238 14.761 1.474 1.00 0.00 H new ATOM 0 HG21 THR A 19 23.371 16.053 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.998 15.992 -1.021 1.00 0.00 H new ATOM 0 HG23 THR A 19 22.691 14.571 0.005 1.00 0.00 H new ATOM 286 N GLU A 20 26.015 11.936 -1.533 1.00 0.00 N ATOM 287 CA GLU A 20 27.196 11.081 -1.554 1.00 0.00 C ATOM 288 C GLU A 20 27.240 10.247 -2.830 1.00 0.00 C ATOM 289 O GLU A 20 26.466 10.475 -3.759 1.00 0.00 O ATOM 290 CB GLU A 20 27.205 10.166 -0.327 1.00 0.00 C ATOM 291 CG GLU A 20 27.263 10.920 0.991 1.00 0.00 C ATOM 292 CD GLU A 20 27.137 10.005 2.193 1.00 0.00 C ATOM 293 OE1 GLU A 20 26.006 9.569 2.491 1.00 0.00 O ATOM 294 OE2 GLU A 20 28.171 9.724 2.836 1.00 0.00 O ATOM 0 H GLU A 20 25.144 11.443 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 20 28.080 11.718 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.310 9.544 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.061 9.495 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.205 11.466 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 20 26.463 11.660 1.017 1.00 0.00 H new ATOM 301 N THR A 21 28.150 9.279 -2.868 1.00 0.00 N ATOM 302 CA THR A 21 28.298 8.414 -4.032 1.00 0.00 C ATOM 303 C THR A 21 28.573 6.970 -3.630 1.00 0.00 C ATOM 304 O THR A 21 28.117 6.034 -4.287 1.00 0.00 O ATOM 305 CB THR A 21 29.438 8.893 -4.940 1.00 0.00 C ATOM 306 OG1 THR A 21 30.524 9.388 -4.146 1.00 0.00 O ATOM 307 CG2 THR A 21 28.958 9.980 -5.892 1.00 0.00 C ATOM 0 H THR A 21 28.796 9.074 -2.106 1.00 0.00 H new ATOM 0 HA THR A 21 27.353 8.462 -4.573 1.00 0.00 H new ATOM 0 HB THR A 21 29.780 8.044 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.248 9.690 -4.734 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.786 10.302 -6.524 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.155 9.588 -6.517 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.589 10.830 -5.318 1.00 0.00 H new ATOM 315 N ARG A 22 29.320 6.797 -2.548 1.00 0.00 N ATOM 316 CA ARG A 22 29.662 5.466 -2.060 1.00 0.00 C ATOM 317 C ARG A 22 29.182 5.284 -0.625 1.00 0.00 C ATOM 318 O ARG A 22 29.115 6.245 0.143 1.00 0.00 O ATOM 319 CB ARG A 22 31.167 5.235 -2.144 1.00 0.00 C ATOM 320 CG ARG A 22 31.697 5.214 -3.570 1.00 0.00 C ATOM 321 CD ARG A 22 33.200 4.992 -3.610 1.00 0.00 C ATOM 322 NE ARG A 22 33.935 6.108 -3.021 1.00 0.00 N ATOM 323 CZ ARG A 22 35.253 6.255 -3.120 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.976 5.360 -3.780 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.847 7.300 -2.559 1.00 0.00 N ATOM 0 H ARG A 22 29.701 7.561 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 22 29.162 4.732 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.679 6.019 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.409 4.289 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.198 4.424 -4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.456 6.156 -4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.445 4.074 -3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.518 4.854 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 22 33.409 6.813 -2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.521 4.556 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.987 5.475 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.293 7.990 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.858 7.413 -2.635 1.00 0.00 H new ATOM 339 N PHE A 23 28.849 4.047 -0.265 1.00 0.00 N ATOM 340 CA PHE A 23 28.350 3.727 1.071 1.00 0.00 C ATOM 341 C PHE A 23 28.969 2.409 1.551 1.00 0.00 C ATOM 342 O PHE A 23 28.749 1.361 0.943 1.00 0.00 O ATOM 343 CB PHE A 23 26.815 3.610 1.045 1.00 0.00 C ATOM 344 CG PHE A 23 26.100 4.717 0.302 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.327 4.927 -1.049 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.195 5.543 0.956 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.677 5.933 -1.732 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.539 6.553 0.275 1.00 0.00 C ATOM 349 CZ PHE A 23 24.782 6.749 -1.070 1.00 0.00 C ATOM 0 H PHE A 23 28.917 3.242 -0.887 1.00 0.00 H new ATOM 0 HA PHE A 23 28.630 4.525 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.546 2.656 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.450 3.588 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 23 27.024 4.292 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.001 5.395 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.868 6.082 -2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 23 23.837 7.188 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.273 7.539 -1.603 1.00 0.00 H new ATOM 359 N LYS A 24 29.737 2.459 2.644 1.00 0.00 N ATOM 360 CA LYS A 24 30.405 1.261 3.164 1.00 0.00 C ATOM 361 C LYS A 24 29.418 0.167 3.543 1.00 0.00 C ATOM 362 O LYS A 24 28.213 0.395 3.613 1.00 0.00 O ATOM 363 CB LYS A 24 31.286 1.597 4.369 1.00 0.00 C ATOM 364 CG LYS A 24 30.637 2.543 5.365 1.00 0.00 C ATOM 365 CD LYS A 24 31.526 2.765 6.579 1.00 0.00 C ATOM 366 CE LYS A 24 30.872 3.692 7.591 1.00 0.00 C ATOM 367 NZ LYS A 24 30.634 5.051 7.031 1.00 0.00 N ATOM 0 H LYS A 24 29.911 3.308 3.182 1.00 0.00 H new ATOM 0 HA LYS A 24 31.031 0.885 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.551 0.672 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.215 2.042 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.433 3.499 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.678 2.136 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.744 1.807 7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.479 3.188 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.924 3.263 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.506 3.770 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.363 5.700 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.503 5.396 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.869 5.008 6.328 1.00 0.00 H new ATOM 381 N THR A 25 29.958 -1.023 3.806 1.00 0.00 N ATOM 382 CA THR A 25 29.151 -2.173 4.179 1.00 0.00 C ATOM 383 C THR A 25 28.494 -1.973 5.537 1.00 0.00 C ATOM 384 O THR A 25 27.613 -2.740 5.930 1.00 0.00 O ATOM 385 CB THR A 25 29.990 -3.461 4.209 1.00 0.00 C ATOM 386 OG1 THR A 25 31.296 -3.188 4.728 1.00 0.00 O ATOM 387 CG2 THR A 25 30.102 -4.084 2.819 1.00 0.00 C ATOM 0 H THR A 25 30.960 -1.211 3.766 1.00 0.00 H new ATOM 0 HA THR A 25 28.375 -2.271 3.419 1.00 0.00 H new ATOM 0 HB THR A 25 29.485 -4.174 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.821 -4.015 4.744 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.701 -4.993 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.106 -4.328 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.578 -3.376 2.140 1.00 0.00 H new ATOM 395 N GLY A 26 28.926 -0.942 6.251 1.00 0.00 N ATOM 396 CA GLY A 26 28.375 -0.647 7.563 1.00 0.00 C ATOM 397 C GLY A 26 27.446 0.546 7.521 1.00 0.00 C ATOM 398 O GLY A 26 27.177 1.184 8.540 1.00 0.00 O ATOM 0 H GLY A 26 29.655 -0.298 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.834 -1.517 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.187 -0.452 8.264 1.00 0.00 H new ATOM 402 N THR A 27 26.961 0.834 6.325 1.00 0.00 N ATOM 403 CA THR A 27 26.057 1.953 6.113 1.00 0.00 C ATOM 404 C THR A 27 24.617 1.469 6.047 1.00 0.00 C ATOM 405 O THR A 27 24.363 0.292 5.793 1.00 0.00 O ATOM 406 CB THR A 27 26.391 2.715 4.820 1.00 0.00 C ATOM 407 OG1 THR A 27 25.881 4.052 4.893 1.00 0.00 O ATOM 408 CG2 THR A 27 25.791 2.012 3.615 1.00 0.00 C ATOM 0 H THR A 27 27.180 0.305 5.481 1.00 0.00 H new ATOM 0 HA THR A 27 26.181 2.631 6.958 1.00 0.00 H new ATOM 0 HB THR A 27 27.475 2.743 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.099 4.531 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 27 26.038 2.567 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.196 1.002 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.708 1.962 3.725 1.00 0.00 H new ATOM 416 N THR A 28 23.678 2.376 6.273 1.00 0.00 N ATOM 417 CA THR A 28 22.268 2.026 6.227 1.00 0.00 C ATOM 418 C THR A 28 21.407 3.250 5.947 1.00 0.00 C ATOM 419 O THR A 28 21.455 4.242 6.677 1.00 0.00 O ATOM 420 CB THR A 28 21.809 1.354 7.536 1.00 0.00 C ATOM 421 OG1 THR A 28 22.468 0.093 7.698 1.00 0.00 O ATOM 422 CG2 THR A 28 20.302 1.146 7.550 1.00 0.00 C ATOM 0 H THR A 28 23.866 3.355 6.489 1.00 0.00 H new ATOM 0 HA THR A 28 22.143 1.314 5.411 1.00 0.00 H new ATOM 0 HB THR A 28 22.073 2.014 8.362 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.955 -0.129 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.009 0.670 8.486 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.801 2.110 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.015 0.509 6.714 1.00 0.00 H new ATOM 430 N LEU A 29 20.621 3.167 4.880 1.00 0.00 N ATOM 431 CA LEU A 29 19.771 4.268 4.453 1.00 0.00 C ATOM 432 C LEU A 29 18.413 4.235 5.155 1.00 0.00 C ATOM 433 O LEU A 29 18.331 3.978 6.356 1.00 0.00 O ATOM 434 CB LEU A 29 19.587 4.212 2.931 1.00 0.00 C ATOM 435 CG LEU A 29 20.878 4.319 2.105 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.774 3.110 2.332 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.557 4.455 0.627 1.00 0.00 C ATOM 0 H LEU A 29 20.556 2.338 4.290 1.00 0.00 H new ATOM 0 HA LEU A 29 20.258 5.204 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.090 3.276 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.918 5.019 2.633 1.00 0.00 H new ATOM 0 HG LEU A 29 21.411 5.211 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.681 3.212 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 29 22.039 3.047 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.245 2.204 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.484 4.529 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.997 3.581 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.959 5.352 0.466 1.00 0.00 H new ATOM 449 N LYS A 30 17.350 4.498 4.396 1.00 0.00 N ATOM 450 CA LYS A 30 15.996 4.504 4.942 1.00 0.00 C ATOM 451 C LYS A 30 14.995 4.016 3.896 1.00 0.00 C ATOM 452 O LYS A 30 14.581 2.859 3.911 1.00 0.00 O ATOM 453 CB LYS A 30 15.619 5.912 5.410 1.00 0.00 C ATOM 454 CG LYS A 30 14.559 5.930 6.499 1.00 0.00 C ATOM 455 CD LYS A 30 15.106 5.403 7.817 1.00 0.00 C ATOM 456 CE LYS A 30 14.026 5.345 8.886 1.00 0.00 C ATOM 457 NZ LYS A 30 14.564 4.882 10.195 1.00 0.00 N ATOM 0 H LYS A 30 17.402 4.710 3.400 1.00 0.00 H new ATOM 0 HA LYS A 30 15.967 3.828 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.514 6.415 5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.259 6.485 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.194 6.948 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.707 5.325 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.524 4.408 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.921 6.043 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.580 6.333 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.231 4.673 8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.796 4.856 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.967 3.929 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.305 5.537 10.517 1.00 0.00 H new ATOM 471 N TYR A 31 14.614 4.910 2.987 1.00 0.00 N ATOM 472 CA TYR A 31 13.668 4.579 1.923 1.00 0.00 C ATOM 473 C TYR A 31 12.283 4.238 2.471 1.00 0.00 C ATOM 474 O TYR A 31 12.145 3.522 3.463 1.00 0.00 O ATOM 475 CB TYR A 31 14.194 3.418 1.077 1.00 0.00 C ATOM 476 CG TYR A 31 15.236 3.830 0.063 1.00 0.00 C ATOM 477 CD1 TYR A 31 14.873 4.495 -1.101 1.00 0.00 C ATOM 478 CD2 TYR A 31 16.581 3.557 0.270 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.822 4.877 -2.030 1.00 0.00 C ATOM 480 CE2 TYR A 31 17.534 3.935 -0.655 1.00 0.00 C ATOM 481 CZ TYR A 31 17.151 4.594 -1.802 1.00 0.00 C ATOM 482 OH TYR A 31 18.100 4.971 -2.724 1.00 0.00 O ATOM 0 H TYR A 31 14.947 5.874 2.966 1.00 0.00 H new ATOM 0 HA TYR A 31 13.569 5.466 1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.621 2.663 1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.358 2.951 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.832 4.717 -1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 31 16.887 3.041 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 31 15.524 5.394 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 31 18.577 3.715 -0.480 1.00 0.00 H new ATOM 0 HH TYR A 31 17.801 5.781 -3.188 1.00 0.00 H new ATOM 492 N THR A 32 11.262 4.769 1.806 1.00 0.00 N ATOM 493 CA THR A 32 9.877 4.531 2.195 1.00 0.00 C ATOM 494 C THR A 32 9.078 3.952 1.031 1.00 0.00 C ATOM 495 O THR A 32 9.380 4.223 -0.130 1.00 0.00 O ATOM 496 CB THR A 32 9.204 5.830 2.671 1.00 0.00 C ATOM 497 OG1 THR A 32 7.780 5.677 2.675 1.00 0.00 O ATOM 498 CG2 THR A 32 9.597 6.996 1.775 1.00 0.00 C ATOM 0 H THR A 32 11.370 5.371 0.990 1.00 0.00 H new ATOM 0 HA THR A 32 9.890 3.815 3.016 1.00 0.00 H new ATOM 0 HB THR A 32 9.542 6.040 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.362 6.509 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.111 7.906 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.679 7.128 1.803 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.283 6.790 0.752 1.00 0.00 H new ATOM 506 N CYS A 33 8.054 3.163 1.346 1.00 0.00 N ATOM 507 CA CYS A 33 7.224 2.541 0.317 1.00 0.00 C ATOM 508 C CYS A 33 5.982 3.379 0.004 1.00 0.00 C ATOM 509 O CYS A 33 5.192 3.729 0.882 1.00 0.00 O ATOM 510 CB CYS A 33 6.806 1.129 0.754 1.00 0.00 C ATOM 511 SG CYS A 33 8.173 -0.080 0.786 1.00 0.00 S ATOM 0 H CYS A 33 7.779 2.939 2.303 1.00 0.00 H new ATOM 0 HA CYS A 33 7.822 2.478 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.362 1.185 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.031 0.766 0.079 1.00 0.00 H new ATOM 516 N LEU A 34 5.872 3.700 -1.289 1.00 0.00 N ATOM 517 CA LEU A 34 4.783 4.514 -1.834 1.00 0.00 C ATOM 518 C LEU A 34 3.422 4.104 -1.263 1.00 0.00 C ATOM 519 O LEU A 34 3.308 3.094 -0.579 1.00 0.00 O ATOM 520 CB LEU A 34 4.773 4.389 -3.361 1.00 0.00 C ATOM 521 CG LEU A 34 6.110 4.684 -4.046 1.00 0.00 C ATOM 522 CD1 LEU A 34 6.092 4.189 -5.484 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.416 6.174 -3.998 1.00 0.00 C ATOM 0 H LEU A 34 6.545 3.398 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 34 4.957 5.551 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.463 3.378 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.020 5.068 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 34 6.897 4.154 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.050 4.407 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.918 3.113 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.295 4.692 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.370 6.366 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.627 6.724 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.471 6.501 -2.960 1.00 0.00 H new ATOM 535 N PRO A 35 2.368 4.899 -1.511 1.00 0.00 N ATOM 536 CA PRO A 35 1.026 4.581 -1.021 1.00 0.00 C ATOM 537 C PRO A 35 0.388 3.419 -1.781 1.00 0.00 C ATOM 538 O PRO A 35 0.022 3.554 -2.949 1.00 0.00 O ATOM 539 CB PRO A 35 0.244 5.873 -1.263 1.00 0.00 C ATOM 540 CG PRO A 35 0.947 6.536 -2.396 1.00 0.00 C ATOM 541 CD PRO A 35 2.400 6.177 -2.251 1.00 0.00 C ATOM 0 HA PRO A 35 1.039 4.264 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.797 5.665 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.240 6.505 -0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.554 6.193 -3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.807 7.616 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.885 6.067 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.950 6.943 -1.705 1.00 0.00 H new ATOM 549 N GLY A 36 0.262 2.276 -1.108 1.00 0.00 N ATOM 550 CA GLY A 36 -0.354 1.125 -1.750 1.00 0.00 C ATOM 551 C GLY A 36 0.187 -0.214 -1.273 1.00 0.00 C ATOM 552 O GLY A 36 -0.387 -1.258 -1.580 1.00 0.00 O ATOM 0 H GLY A 36 0.569 2.127 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.429 1.155 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.207 1.201 -2.827 1.00 0.00 H new ATOM 556 N TYR A 37 1.276 -0.195 -0.512 1.00 0.00 N ATOM 557 CA TYR A 37 1.857 -1.432 -0.001 1.00 0.00 C ATOM 558 C TYR A 37 1.196 -1.794 1.320 1.00 0.00 C ATOM 559 O TYR A 37 0.782 -0.909 2.070 1.00 0.00 O ATOM 560 CB TYR A 37 3.370 -1.291 0.187 1.00 0.00 C ATOM 561 CG TYR A 37 4.097 -0.726 -1.016 1.00 0.00 C ATOM 562 CD1 TYR A 37 3.953 0.604 -1.367 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.940 -1.515 -1.788 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.621 1.138 -2.449 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.615 -0.990 -2.876 1.00 0.00 C ATOM 566 CZ TYR A 37 5.451 0.340 -3.199 1.00 0.00 C ATOM 567 OH TYR A 37 6.110 0.873 -4.280 1.00 0.00 O ATOM 0 H TYR A 37 1.770 0.654 -0.237 1.00 0.00 H new ATOM 0 HA TYR A 37 1.681 -2.226 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.559 -0.648 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.788 -2.270 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.304 1.238 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.071 -2.557 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.492 2.179 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.265 -1.617 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 37 5.565 0.755 -5.086 1.00 0.00 H new ATOM 577 N VAL A 38 1.092 -3.085 1.613 1.00 0.00 N ATOM 578 CA VAL A 38 0.470 -3.589 2.827 1.00 0.00 C ATOM 579 C VAL A 38 1.341 -4.690 3.423 1.00 0.00 C ATOM 580 O VAL A 38 2.569 -4.611 3.401 1.00 0.00 O ATOM 581 CB VAL A 38 -0.921 -4.161 2.503 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.825 -3.096 1.908 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.784 -5.321 1.545 1.00 0.00 C ATOM 0 H VAL A 38 1.444 -3.822 1.002 1.00 0.00 H new ATOM 0 HA VAL A 38 0.367 -2.773 3.542 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.375 -4.508 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.801 -3.528 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.942 -2.279 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.382 -2.715 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.771 -5.724 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.311 -4.979 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.171 -6.099 2.001 1.00 0.00 H new ATOM 593 N ARG A 39 0.670 -5.706 3.965 1.00 0.00 N ATOM 594 CA ARG A 39 1.317 -6.862 4.581 1.00 0.00 C ATOM 595 C ARG A 39 2.643 -7.215 3.911 1.00 0.00 C ATOM 596 O ARG A 39 2.672 -7.941 2.917 1.00 0.00 O ATOM 597 CB ARG A 39 0.386 -8.075 4.526 1.00 0.00 C ATOM 598 CG ARG A 39 -0.966 -7.845 5.182 1.00 0.00 C ATOM 599 CD ARG A 39 -0.830 -7.598 6.677 1.00 0.00 C ATOM 600 NE ARG A 39 -0.079 -8.660 7.341 1.00 0.00 N ATOM 601 CZ ARG A 39 -0.051 -8.831 8.659 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.742 -8.021 9.451 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.667 -9.813 9.185 1.00 0.00 N ATOM 0 H ARG A 39 -0.349 -5.749 3.988 1.00 0.00 H new ATOM 0 HA ARG A 39 1.528 -6.593 5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.230 -8.354 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.876 -8.919 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.457 -6.991 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.605 -8.712 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.331 -6.643 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.821 -7.521 7.123 1.00 0.00 H new ATOM 0 HE ARG A 39 0.454 -9.307 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.296 -7.265 9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.719 -8.154 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.198 -10.438 8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.688 -9.944 10.196 1.00 0.00 H new ATOM 617 N SER A 40 3.736 -6.694 4.462 1.00 0.00 N ATOM 618 CA SER A 40 5.067 -6.965 3.932 1.00 0.00 C ATOM 619 C SER A 40 6.138 -6.284 4.776 1.00 0.00 C ATOM 620 O SER A 40 7.333 -6.467 4.541 1.00 0.00 O ATOM 621 CB SER A 40 5.174 -6.487 2.488 1.00 0.00 C ATOM 622 OG SER A 40 6.383 -6.928 1.895 1.00 0.00 O ATOM 0 H SER A 40 3.725 -6.081 5.277 1.00 0.00 H new ATOM 0 HA SER A 40 5.226 -8.043 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.326 -6.860 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.126 -5.399 2.457 1.00 0.00 H new ATOM 0 HG SER A 40 7.086 -6.968 2.577 1.00 0.00 H new ATOM 628 N HIS A 41 5.706 -5.498 5.758 1.00 0.00 N ATOM 629 CA HIS A 41 6.636 -4.788 6.629 1.00 0.00 C ATOM 630 C HIS A 41 7.571 -5.755 7.342 1.00 0.00 C ATOM 631 O HIS A 41 7.135 -6.746 7.929 1.00 0.00 O ATOM 632 CB HIS A 41 5.881 -3.938 7.651 1.00 0.00 C ATOM 633 CG HIS A 41 4.753 -4.660 8.321 1.00 0.00 C ATOM 634 ND1 HIS A 41 3.437 -4.531 7.930 1.00 0.00 N ATOM 635 CD2 HIS A 41 4.750 -5.523 9.365 1.00 0.00 C ATOM 636 CE1 HIS A 41 2.673 -5.280 8.705 1.00 0.00 C ATOM 637 NE2 HIS A 41 3.446 -5.893 9.583 1.00 0.00 N ATOM 0 H HIS A 41 4.721 -5.337 5.970 1.00 0.00 H new ATOM 0 HA HIS A 41 7.237 -4.130 6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.582 -3.593 8.411 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.488 -3.051 7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.613 -5.858 9.922 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.600 -5.375 8.633 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.126 -6.537 10.306 1.00 0.00 H new ATOM 646 N SER A 42 8.860 -5.450 7.282 1.00 0.00 N ATOM 647 CA SER A 42 9.886 -6.271 7.911 1.00 0.00 C ATOM 648 C SER A 42 11.241 -5.593 7.777 1.00 0.00 C ATOM 649 O SER A 42 12.225 -6.010 8.388 1.00 0.00 O ATOM 650 CB SER A 42 9.929 -7.658 7.268 1.00 0.00 C ATOM 651 OG SER A 42 11.008 -8.422 7.775 1.00 0.00 O ATOM 0 H SER A 42 9.223 -4.629 6.798 1.00 0.00 H new ATOM 0 HA SER A 42 9.645 -6.386 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.990 -8.179 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.026 -7.558 6.187 1.00 0.00 H new ATOM 0 HG SER A 42 11.628 -7.834 8.255 1.00 0.00 H new ATOM 657 N THR A 43 11.273 -4.538 6.969 1.00 0.00 N ATOM 658 CA THR A 43 12.496 -3.781 6.733 1.00 0.00 C ATOM 659 C THR A 43 12.170 -2.409 6.150 1.00 0.00 C ATOM 660 O THR A 43 11.091 -2.204 5.592 1.00 0.00 O ATOM 661 CB THR A 43 13.443 -4.520 5.767 1.00 0.00 C ATOM 662 OG1 THR A 43 13.477 -5.918 6.079 1.00 0.00 O ATOM 663 CG2 THR A 43 14.852 -3.950 5.844 1.00 0.00 C ATOM 0 H THR A 43 10.460 -4.187 6.464 1.00 0.00 H new ATOM 0 HA THR A 43 12.994 -3.668 7.696 1.00 0.00 H new ATOM 0 HB THR A 43 13.064 -4.382 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.365 -6.040 7.045 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.501 -4.489 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.832 -2.894 5.575 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.234 -4.059 6.859 1.00 0.00 H new ATOM 671 N GLN A 44 13.101 -1.471 6.284 1.00 0.00 N ATOM 672 CA GLN A 44 12.901 -0.123 5.763 1.00 0.00 C ATOM 673 C GLN A 44 14.237 0.576 5.529 1.00 0.00 C ATOM 674 O GLN A 44 14.495 1.640 6.094 1.00 0.00 O ATOM 675 CB GLN A 44 12.036 0.695 6.725 1.00 0.00 C ATOM 676 CG GLN A 44 11.594 2.037 6.160 1.00 0.00 C ATOM 677 CD GLN A 44 10.671 2.792 7.095 1.00 0.00 C ATOM 678 OE1 GLN A 44 11.250 3.622 7.955 1.00 0.00 O flip ATOM 679 NE2 GLN A 44 9.451 2.635 7.043 1.00 0.00 N flip ATOM 0 H GLN A 44 13.998 -1.618 6.747 1.00 0.00 H new ATOM 0 HA GLN A 44 12.386 -0.202 4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.153 0.113 6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.593 0.864 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.474 2.647 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.088 1.876 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.049 1.987 6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.843 3.153 7.677 1.00 0.00 H new ATOM 688 N THR A 45 15.084 -0.038 4.696 1.00 0.00 N ATOM 689 CA THR A 45 16.400 0.514 4.368 1.00 0.00 C ATOM 690 C THR A 45 17.295 -0.540 3.720 1.00 0.00 C ATOM 691 O THR A 45 17.077 -1.739 3.889 1.00 0.00 O ATOM 692 CB THR A 45 17.125 1.058 5.613 1.00 0.00 C ATOM 693 OG1 THR A 45 18.466 1.427 5.273 1.00 0.00 O ATOM 694 CG2 THR A 45 17.145 0.020 6.724 1.00 0.00 C ATOM 0 H THR A 45 14.878 -0.924 4.234 1.00 0.00 H new ATOM 0 HA THR A 45 16.219 1.332 3.671 1.00 0.00 H new ATOM 0 HB THR A 45 16.585 1.935 5.969 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.473 1.859 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.662 0.427 7.593 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.122 -0.239 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.665 -0.873 6.378 1.00 0.00 H new ATOM 702 N LEU A 46 18.303 -0.083 2.978 1.00 0.00 N ATOM 703 CA LEU A 46 19.243 -0.988 2.323 1.00 0.00 C ATOM 704 C LEU A 46 20.613 -0.892 2.994 1.00 0.00 C ATOM 705 O LEU A 46 20.981 0.157 3.525 1.00 0.00 O ATOM 706 CB LEU A 46 19.368 -0.655 0.829 1.00 0.00 C ATOM 707 CG LEU A 46 18.220 0.175 0.242 1.00 0.00 C ATOM 708 CD1 LEU A 46 18.566 0.665 -1.165 1.00 0.00 C ATOM 709 CD2 LEU A 46 16.926 -0.621 0.223 1.00 0.00 C ATOM 0 H LEU A 46 18.488 0.907 2.816 1.00 0.00 H new ATOM 0 HA LEU A 46 18.865 -2.006 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 46 20.302 -0.115 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.441 -1.588 0.271 1.00 0.00 H new ATOM 0 HG LEU A 46 18.076 1.044 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.736 1.251 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.462 1.285 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.747 -0.192 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.128 -0.009 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.058 -1.515 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.662 -0.911 1.240 1.00 0.00 H new ATOM 721 N THR A 47 21.362 -1.988 2.966 1.00 0.00 N ATOM 722 CA THR A 47 22.695 -2.030 3.569 1.00 0.00 C ATOM 723 C THR A 47 23.725 -2.516 2.559 1.00 0.00 C ATOM 724 O THR A 47 23.383 -3.236 1.620 1.00 0.00 O ATOM 725 CB THR A 47 22.731 -2.966 4.793 1.00 0.00 C ATOM 726 OG1 THR A 47 21.600 -2.717 5.636 1.00 0.00 O ATOM 727 CG2 THR A 47 24.013 -2.768 5.587 1.00 0.00 C ATOM 0 H THR A 47 21.071 -2.864 2.532 1.00 0.00 H new ATOM 0 HA THR A 47 22.933 -1.015 3.887 1.00 0.00 H new ATOM 0 HB THR A 47 22.697 -3.995 4.436 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.630 -3.317 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.016 -3.439 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.872 -2.987 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.071 -1.736 5.933 1.00 0.00 H new ATOM 735 N CYS A 48 24.988 -2.130 2.743 1.00 0.00 N ATOM 736 CA CYS A 48 26.028 -2.562 1.824 1.00 0.00 C ATOM 737 C CYS A 48 26.541 -3.920 2.276 1.00 0.00 C ATOM 738 O CYS A 48 27.090 -4.063 3.368 1.00 0.00 O ATOM 739 CB CYS A 48 27.164 -1.536 1.753 1.00 0.00 C ATOM 740 SG CYS A 48 28.574 -2.030 0.708 1.00 0.00 S ATOM 0 H CYS A 48 25.306 -1.531 3.505 1.00 0.00 H new ATOM 0 HA CYS A 48 25.615 -2.646 0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.762 -0.595 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.527 -1.346 2.763 1.00 0.00 H new ATOM 745 N ASN A 49 26.337 -4.914 1.430 1.00 0.00 N ATOM 746 CA ASN A 49 26.810 -6.258 1.710 1.00 0.00 C ATOM 747 C ASN A 49 28.146 -6.485 1.008 1.00 0.00 C ATOM 748 O ASN A 49 28.642 -5.600 0.310 1.00 0.00 O ATOM 749 CB ASN A 49 25.777 -7.285 1.246 1.00 0.00 C ATOM 750 CG ASN A 49 25.230 -6.961 -0.126 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.681 -7.503 -1.131 1.00 0.00 O ATOM 752 ND2 ASN A 49 24.257 -6.062 -0.174 1.00 0.00 N ATOM 0 H ASN A 49 25.846 -4.815 0.541 1.00 0.00 H new ATOM 0 HA ASN A 49 26.952 -6.376 2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.233 -8.275 1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.957 -7.323 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.853 -5.796 -1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.913 -5.637 0.687 1.00 0.00 H new ATOM 759 N SER A 50 28.730 -7.662 1.190 1.00 0.00 N ATOM 760 CA SER A 50 30.006 -7.976 0.551 1.00 0.00 C ATOM 761 C SER A 50 29.747 -8.577 -0.828 1.00 0.00 C ATOM 762 O SER A 50 30.117 -9.715 -1.118 1.00 0.00 O ATOM 763 CB SER A 50 30.816 -8.942 1.417 1.00 0.00 C ATOM 764 OG SER A 50 32.055 -9.258 0.808 1.00 0.00 O ATOM 0 H SER A 50 28.347 -8.410 1.768 1.00 0.00 H new ATOM 0 HA SER A 50 30.586 -7.060 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.992 -8.497 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.244 -9.856 1.580 1.00 0.00 H new ATOM 0 HG SER A 50 31.895 -9.640 -0.080 1.00 0.00 H new ATOM 770 N ASP A 51 29.099 -7.774 -1.662 1.00 0.00 N ATOM 771 CA ASP A 51 28.734 -8.152 -3.023 1.00 0.00 C ATOM 772 C ASP A 51 28.720 -6.923 -3.923 1.00 0.00 C ATOM 773 O ASP A 51 28.365 -7.003 -5.100 1.00 0.00 O ATOM 774 CB ASP A 51 27.343 -8.781 -3.027 1.00 0.00 C ATOM 775 CG ASP A 51 27.126 -9.702 -4.210 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.880 -9.193 -5.323 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.203 -10.935 -4.024 1.00 0.00 O ATOM 0 H ASP A 51 28.808 -6.829 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 51 29.467 -8.868 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.199 -9.341 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.591 -7.992 -3.042 1.00 0.00 H new ATOM 782 N GLY A 52 29.114 -5.788 -3.357 1.00 0.00 N ATOM 783 CA GLY A 52 29.117 -4.547 -4.110 1.00 0.00 C ATOM 784 C GLY A 52 27.732 -4.173 -4.595 1.00 0.00 C ATOM 785 O GLY A 52 27.555 -3.350 -5.494 1.00 0.00 O ATOM 0 H GLY A 52 29.431 -5.705 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.511 -3.745 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.786 -4.643 -4.965 1.00 0.00 H new ATOM 789 N GLU A 53 26.755 -4.811 -3.962 1.00 0.00 N ATOM 790 CA GLU A 53 25.353 -4.554 -4.259 1.00 0.00 C ATOM 791 C GLU A 53 24.590 -4.230 -2.982 1.00 0.00 C ATOM 792 O GLU A 53 25.118 -4.374 -1.880 1.00 0.00 O ATOM 793 CB GLU A 53 24.719 -5.763 -4.954 1.00 0.00 C ATOM 794 CG GLU A 53 24.270 -6.855 -3.995 1.00 0.00 C ATOM 795 CD GLU A 53 23.663 -8.045 -4.711 1.00 0.00 C ATOM 796 OE1 GLU A 53 22.595 -7.881 -5.336 1.00 0.00 O ATOM 797 OE2 GLU A 53 24.255 -9.143 -4.644 1.00 0.00 O ATOM 0 H GLU A 53 26.910 -5.512 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 53 25.298 -3.697 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.860 -5.427 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.437 -6.183 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.123 -7.188 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.540 -6.444 -3.298 1.00 0.00 H new ATOM 804 N TRP A 54 23.354 -3.778 -3.138 1.00 0.00 N ATOM 805 CA TRP A 54 22.510 -3.446 -2.013 1.00 0.00 C ATOM 806 C TRP A 54 21.539 -4.577 -1.724 1.00 0.00 C ATOM 807 O TRP A 54 20.642 -4.875 -2.511 1.00 0.00 O ATOM 808 CB TRP A 54 21.743 -2.168 -2.316 1.00 0.00 C ATOM 809 CG TRP A 54 22.615 -0.954 -2.314 1.00 0.00 C ATOM 810 CD1 TRP A 54 23.096 -0.280 -3.399 1.00 0.00 C ATOM 811 CD2 TRP A 54 23.124 -0.280 -1.167 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.867 0.781 -2.990 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.900 0.801 -1.622 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.991 -0.488 0.201 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.543 1.673 -0.749 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.629 0.375 1.070 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.396 1.444 0.592 1.00 0.00 C ATOM 0 H TRP A 54 22.915 -3.634 -4.047 1.00 0.00 H new ATOM 0 HA TRP A 54 23.135 -3.296 -1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 54 21.261 -2.261 -3.289 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.951 -2.042 -1.578 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.899 -0.542 -4.428 1.00 0.00 H new ATOM 0 HE1 TRP A 54 24.338 1.445 -3.605 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.400 -1.310 0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.135 2.499 -1.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.535 0.223 2.135 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.882 2.102 1.297 1.00 0.00 H new ATOM 828 N VAL A 55 21.752 -5.200 -0.573 1.00 0.00 N ATOM 829 CA VAL A 55 20.929 -6.306 -0.128 1.00 0.00 C ATOM 830 C VAL A 55 19.877 -5.754 0.823 1.00 0.00 C ATOM 831 O VAL A 55 20.186 -4.871 1.624 1.00 0.00 O ATOM 832 CB VAL A 55 21.785 -7.368 0.597 1.00 0.00 C ATOM 833 CG1 VAL A 55 21.034 -7.979 1.766 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.239 -8.445 -0.373 1.00 0.00 C ATOM 0 H VAL A 55 22.500 -4.950 0.074 1.00 0.00 H new ATOM 0 HA VAL A 55 20.459 -6.785 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 55 22.668 -6.868 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.664 -8.722 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.774 -7.197 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.124 -8.457 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.840 -9.183 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.367 -8.933 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.836 -7.993 -1.165 1.00 0.00 H new ATOM 844 N TYR A 56 18.650 -6.264 0.762 1.00 0.00 N ATOM 845 CA TYR A 56 17.624 -5.753 1.672 1.00 0.00 C ATOM 846 C TYR A 56 16.268 -6.431 1.488 1.00 0.00 C ATOM 847 O TYR A 56 15.296 -6.086 2.159 1.00 0.00 O ATOM 848 CB TYR A 56 17.471 -4.242 1.457 1.00 0.00 C ATOM 849 CG TYR A 56 17.258 -3.866 0.006 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.984 -3.839 -0.547 1.00 0.00 C ATOM 851 CD2 TYR A 56 18.334 -3.539 -0.812 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.789 -3.496 -1.873 1.00 0.00 C ATOM 853 CE2 TYR A 56 18.146 -3.195 -2.136 1.00 0.00 C ATOM 854 CZ TYR A 56 16.873 -3.174 -2.662 1.00 0.00 C ATOM 855 OH TYR A 56 16.683 -2.831 -3.981 1.00 0.00 O ATOM 0 H TYR A 56 18.348 -6.999 0.122 1.00 0.00 H new ATOM 0 HA TYR A 56 17.954 -5.974 2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.629 -3.881 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.362 -3.736 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.132 -4.090 0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.334 -3.554 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.792 -3.481 -2.288 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.993 -2.943 -2.757 1.00 0.00 H new ATOM 0 HH TYR A 56 17.549 -2.632 -4.395 1.00 0.00 H new ATOM 865 N ASN A 57 16.222 -7.404 0.582 1.00 0.00 N ATOM 866 CA ASN A 57 14.998 -8.153 0.300 1.00 0.00 C ATOM 867 C ASN A 57 13.818 -7.226 0.013 1.00 0.00 C ATOM 868 O ASN A 57 13.966 -6.005 -0.029 1.00 0.00 O ATOM 869 CB ASN A 57 14.656 -9.074 1.472 1.00 0.00 C ATOM 870 CG ASN A 57 15.694 -10.161 1.675 1.00 0.00 C ATOM 871 OD1 ASN A 57 16.662 -9.982 2.412 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.495 -11.299 1.017 1.00 0.00 N ATOM 0 H ASN A 57 17.026 -7.695 0.025 1.00 0.00 H new ATOM 0 HA ASN A 57 15.182 -8.751 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.571 -8.482 2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.683 -9.533 1.298 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.160 -12.067 1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.678 -11.404 0.416 1.00 0.00 H new ATOM 879 N THR A 58 12.645 -7.820 -0.195 1.00 0.00 N ATOM 880 CA THR A 58 11.438 -7.049 -0.470 1.00 0.00 C ATOM 881 C THR A 58 10.648 -6.832 0.814 1.00 0.00 C ATOM 882 O THR A 58 10.042 -7.763 1.348 1.00 0.00 O ATOM 883 CB THR A 58 10.542 -7.752 -1.508 1.00 0.00 C ATOM 884 OG1 THR A 58 11.345 -8.293 -2.563 1.00 0.00 O ATOM 885 CG2 THR A 58 9.524 -6.783 -2.091 1.00 0.00 C ATOM 0 H THR A 58 12.506 -8.830 -0.178 1.00 0.00 H new ATOM 0 HA THR A 58 11.749 -6.088 -0.879 1.00 0.00 H new ATOM 0 HB THR A 58 10.009 -8.558 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.768 -8.739 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.903 -7.303 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.894 -6.393 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.044 -5.958 -2.579 1.00 0.00 H new ATOM 893 N PHE A 59 10.656 -5.598 1.306 1.00 0.00 N ATOM 894 CA PHE A 59 9.961 -5.263 2.543 1.00 0.00 C ATOM 895 C PHE A 59 8.567 -4.689 2.278 1.00 0.00 C ATOM 896 O PHE A 59 7.911 -4.192 3.193 1.00 0.00 O ATOM 897 CB PHE A 59 10.802 -4.281 3.360 1.00 0.00 C ATOM 898 CG PHE A 59 11.403 -3.172 2.544 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.711 -1.991 2.333 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.663 -3.314 1.984 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.265 -0.973 1.581 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.221 -2.300 1.231 1.00 0.00 C ATOM 903 CZ PHE A 59 12.520 -1.127 1.028 1.00 0.00 C ATOM 0 H PHE A 59 11.136 -4.813 0.867 1.00 0.00 H new ATOM 0 HA PHE A 59 9.826 -6.183 3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.179 -3.847 4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.603 -4.829 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.728 -1.864 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.215 -4.229 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.716 -0.056 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.204 -2.424 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.953 -0.333 0.438 1.00 0.00 H new ATOM 913 N CYS A 60 8.121 -4.769 1.027 1.00 0.00 N ATOM 914 CA CYS A 60 6.799 -4.272 0.647 1.00 0.00 C ATOM 915 C CYS A 60 6.264 -5.058 -0.556 1.00 0.00 C ATOM 916 O CYS A 60 6.958 -5.212 -1.560 1.00 0.00 O ATOM 917 CB CYS A 60 6.851 -2.777 0.321 1.00 0.00 C ATOM 918 SG CYS A 60 7.369 -1.705 1.704 1.00 0.00 S ATOM 0 H CYS A 60 8.655 -5.173 0.258 1.00 0.00 H new ATOM 0 HA CYS A 60 6.125 -4.414 1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.536 -2.626 -0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.864 -2.459 -0.016 1.00 0.00 H new ATOM 923 N ILE A 61 5.026 -5.553 -0.452 1.00 0.00 N ATOM 924 CA ILE A 61 4.425 -6.338 -1.533 1.00 0.00 C ATOM 925 C ILE A 61 3.579 -5.485 -2.468 1.00 0.00 C ATOM 926 O ILE A 61 3.672 -5.612 -3.689 1.00 0.00 O ATOM 927 CB ILE A 61 3.548 -7.484 -0.990 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.351 -6.934 -0.212 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.370 -8.403 -0.108 1.00 0.00 C ATOM 930 CD1 ILE A 61 1.275 -7.964 0.046 1.00 0.00 C ATOM 0 H ILE A 61 4.426 -5.425 0.363 1.00 0.00 H new ATOM 0 HA ILE A 61 5.264 -6.753 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 61 3.170 -8.055 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.699 -6.537 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.920 -6.100 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.738 -9.207 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.190 -8.827 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.774 -7.836 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.457 -7.505 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.900 -8.344 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.691 -8.787 0.627 1.00 0.00 H new ATOM 942 N TYR A 62 2.748 -4.631 -1.881 1.00 0.00 N ATOM 943 CA TYR A 62 1.862 -3.753 -2.647 1.00 0.00 C ATOM 944 C TYR A 62 0.672 -4.520 -3.212 1.00 0.00 C ATOM 945 O TYR A 62 0.817 -5.335 -4.124 1.00 0.00 O ATOM 946 CB TYR A 62 2.621 -3.072 -3.793 1.00 0.00 C ATOM 947 CG TYR A 62 2.020 -1.752 -4.231 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.644 -1.557 -4.279 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.840 -0.692 -4.580 1.00 0.00 C ATOM 950 CE1 TYR A 62 0.110 -0.341 -4.659 1.00 0.00 C ATOM 951 CE2 TYR A 62 2.319 0.526 -4.963 1.00 0.00 C ATOM 952 CZ TYR A 62 0.953 0.699 -4.998 1.00 0.00 C ATOM 953 OH TYR A 62 0.428 1.914 -5.372 1.00 0.00 O ATOM 0 H TYR A 62 2.667 -4.526 -0.870 1.00 0.00 H new ATOM 0 HA TYR A 62 1.493 -2.991 -1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.653 -2.905 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.650 -3.748 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.017 -2.369 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.912 -0.822 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.961 -0.204 -4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.977 1.338 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 62 0.287 2.468 -4.576 1.00 0.00 H new ATOM 963 N LYS A 63 -0.505 -4.247 -2.658 1.00 0.00 N ATOM 964 CA LYS A 63 -1.750 -4.857 -3.105 1.00 0.00 C ATOM 965 C LYS A 63 -2.922 -4.028 -2.601 1.00 0.00 C ATOM 966 O LYS A 63 -3.049 -3.774 -1.403 1.00 0.00 O ATOM 967 CB LYS A 63 -1.870 -6.313 -2.630 1.00 0.00 C ATOM 968 CG LYS A 63 -1.936 -6.479 -1.121 1.00 0.00 C ATOM 969 CD LYS A 63 -2.067 -7.943 -0.724 1.00 0.00 C ATOM 970 CE LYS A 63 -1.927 -8.143 0.776 1.00 0.00 C ATOM 971 NZ LYS A 63 -3.246 -8.276 1.447 1.00 0.00 N ATOM 0 H LYS A 63 -0.621 -3.594 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.757 -4.875 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.764 -6.753 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.017 -6.877 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.039 -6.057 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.784 -5.918 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.035 -8.322 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.305 -8.528 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.331 -9.035 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.386 -7.300 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.269 -7.668 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.000 -7.988 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.393 -9.266 1.730 1.00 0.00 H new ATOM 985 N ARG A 64 -3.771 -3.598 -3.522 1.00 0.00 N ATOM 986 CA ARG A 64 -4.913 -2.768 -3.169 1.00 0.00 C ATOM 987 C ARG A 64 -6.236 -3.465 -3.460 1.00 0.00 C ATOM 988 O ARG A 64 -6.287 -4.677 -3.671 1.00 0.00 O ATOM 989 CB ARG A 64 -4.842 -1.436 -3.914 1.00 0.00 C ATOM 990 CG ARG A 64 -4.228 -1.543 -5.298 1.00 0.00 C ATOM 991 CD ARG A 64 -3.179 -0.469 -5.515 1.00 0.00 C ATOM 992 NE ARG A 64 -3.769 0.862 -5.623 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.198 1.872 -6.275 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.034 1.699 -6.886 1.00 0.00 N ATOM 995 NH2 ARG A 64 -3.796 3.054 -6.319 1.00 0.00 N ATOM 0 H ARG A 64 -3.691 -3.809 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.870 -2.586 -2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.848 -1.026 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.261 -0.729 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.777 -2.527 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.008 -1.451 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.469 -0.484 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.617 -0.690 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.670 1.027 -5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.573 0.789 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.599 2.475 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.693 3.189 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.359 3.828 -6.819 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.305 -2.677 -3.468 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.644 -3.184 -3.718 1.00 0.00 C ATOM 1011 C CYS A 65 -9.303 -2.369 -4.817 1.00 0.00 C ATOM 1012 O CYS A 65 -9.339 -1.140 -4.743 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.475 -3.107 -2.439 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.541 -3.516 -0.927 1.00 0.00 S ATOM 0 H CYS A 65 -7.266 -1.671 -3.302 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.581 -4.225 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.882 -2.101 -2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.322 -3.787 -2.526 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.819 -3.041 -5.838 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.462 -2.334 -6.937 1.00 0.00 C ATOM 1021 C ARG A 66 -11.566 -1.438 -6.391 1.00 0.00 C ATOM 1022 O ARG A 66 -12.302 -1.829 -5.490 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.011 -3.315 -7.977 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.829 -2.653 -9.076 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.999 -1.663 -9.876 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.777 -1.036 -10.941 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.513 0.169 -11.437 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.495 0.875 -10.965 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.268 0.668 -12.406 1.00 0.00 N ATOM 0 H ARG A 66 -9.806 -4.057 -5.928 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.720 -1.713 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.178 -3.852 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.631 -4.056 -7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.227 -3.417 -9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.683 -2.139 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.610 -0.893 -9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.139 -2.175 -10.308 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.568 -1.552 -11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.912 0.494 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.295 1.799 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.052 0.127 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.065 1.593 -12.786 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.682 -0.240 -6.946 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.688 0.721 -6.504 1.00 0.00 C ATOM 1045 C HIS A 67 -14.098 0.129 -6.584 1.00 0.00 C ATOM 1046 O HIS A 67 -14.552 -0.266 -7.659 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.595 1.989 -7.357 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.505 3.092 -6.914 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -13.197 3.953 -5.883 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -14.715 3.479 -7.376 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -14.182 4.821 -5.729 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -15.115 4.555 -6.623 1.00 0.00 N ATOM 0 H HIS A 67 -11.090 0.093 -7.707 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.493 0.969 -5.461 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.567 2.351 -7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.826 1.736 -8.392 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.265 3.026 -8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -14.217 5.613 -4.996 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.991 5.066 -6.736 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.807 0.056 -5.436 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.174 -0.482 -5.369 1.00 0.00 C ATOM 1063 C PRO A 68 -17.082 0.087 -6.451 1.00 0.00 C ATOM 1064 O PRO A 68 -17.921 -0.623 -7.006 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.651 -0.027 -3.991 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.411 0.027 -3.174 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.330 0.499 -4.109 1.00 0.00 C ATOM 0 HA PRO A 68 -16.196 -1.561 -5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.138 0.947 -4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.375 -0.725 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.526 0.709 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.171 -0.953 -2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.207 1.581 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.364 0.058 -3.862 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.909 1.368 -6.750 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.741 2.015 -7.747 1.00 0.00 C ATOM 1077 C GLY A 69 -18.685 3.035 -7.136 1.00 0.00 C ATOM 1078 O GLY A 69 -18.629 3.324 -5.941 1.00 0.00 O ATOM 0 H GLY A 69 -16.208 1.971 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.106 2.507 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.320 1.260 -8.279 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.552 3.572 -7.986 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.525 4.569 -7.557 1.00 0.00 C ATOM 1084 C GLU A 70 -21.717 3.901 -6.869 1.00 0.00 C ATOM 1085 O GLU A 70 -22.232 2.885 -7.336 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.985 5.424 -8.739 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.932 6.547 -8.348 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.392 7.362 -9.542 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -23.363 6.945 -10.206 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.777 8.414 -9.813 1.00 0.00 O ATOM 0 H GLU A 70 -19.601 3.334 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.042 5.227 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.110 5.852 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.478 4.783 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.801 6.125 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.436 7.204 -7.633 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.145 4.491 -5.753 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.293 3.992 -4.996 1.00 0.00 C ATOM 1099 C LEU A 71 -24.539 4.756 -5.427 1.00 0.00 C ATOM 1100 O LEU A 71 -24.772 5.874 -4.968 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.062 4.182 -3.488 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.754 3.172 -2.557 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.497 3.537 -1.104 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.252 3.099 -2.823 1.00 0.00 C ATOM 0 H LEU A 71 -21.710 5.321 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.422 2.928 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.989 4.141 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.396 5.183 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.332 2.188 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.992 2.815 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.424 3.524 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.890 4.534 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.707 2.375 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.699 4.080 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.424 2.790 -3.854 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.337 4.164 -6.310 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.565 4.819 -6.744 1.00 0.00 C ATOM 1118 C ARG A 72 -27.499 4.948 -5.551 1.00 0.00 C ATOM 1119 O ARG A 72 -27.830 3.965 -4.888 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.230 4.071 -7.898 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.635 4.558 -8.203 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.197 3.899 -9.451 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.509 4.433 -9.807 1.00 0.00 N ATOM 1124 CZ ARG A 72 -31.164 4.103 -10.917 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.637 3.237 -11.770 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -32.349 4.640 -11.171 1.00 0.00 N ATOM 0 H ARG A 72 -25.161 3.252 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.324 5.812 -7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.615 4.177 -8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.266 3.008 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.286 4.347 -7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.625 5.640 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.507 4.048 -10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.275 2.824 -9.290 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.948 5.096 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.726 2.821 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.142 2.986 -12.620 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.758 5.306 -10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.852 4.387 -12.022 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.910 6.189 -5.293 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.744 6.497 -4.147 1.00 0.00 C ATOM 1142 C ASN A 73 -27.941 6.162 -2.907 1.00 0.00 C ATOM 1143 O ASN A 73 -28.451 5.549 -1.974 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.058 5.706 -4.180 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.025 6.224 -5.228 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.492 6.744 -6.328 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -32.242 6.154 -5.052 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.674 6.997 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.020 7.551 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.841 4.656 -4.378 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.531 5.754 -3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.610 5.747 -4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.881 6.503 -5.766 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.685 6.596 -2.887 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.843 6.302 -1.754 1.00 0.00 C ATOM 1156 C GLY A 74 -24.510 7.020 -1.803 1.00 0.00 C ATOM 1157 O GLY A 74 -24.223 7.751 -2.751 1.00 0.00 O ATOM 0 H GLY A 74 -26.244 7.140 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.365 6.580 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.669 5.227 -1.708 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.695 6.809 -0.775 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.384 7.441 -0.697 1.00 0.00 C ATOM 1163 C GLN A 75 -21.305 6.433 -0.314 1.00 0.00 C ATOM 1164 O GLN A 75 -21.480 5.634 0.606 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.407 8.592 0.310 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.286 9.755 -0.116 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.272 10.894 0.884 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -22.445 11.801 0.799 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -24.193 10.854 1.839 1.00 0.00 N ATOM 0 H GLN A 75 -23.920 6.205 0.016 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.145 7.835 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.757 8.216 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.389 8.953 0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.950 10.123 -1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.309 9.403 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.860 10.083 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -24.234 11.594 2.539 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.188 6.483 -1.033 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.077 5.578 -0.767 1.00 0.00 C ATOM 1180 C VAL A 76 -17.938 6.324 -0.080 1.00 0.00 C ATOM 1181 O VAL A 76 -17.229 7.103 -0.717 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.543 4.923 -2.052 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.534 3.838 -1.705 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.684 4.348 -2.875 1.00 0.00 C ATOM 0 H VAL A 76 -20.029 7.137 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.458 4.792 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.045 5.686 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.162 3.380 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.702 4.277 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.015 3.078 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.285 3.889 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.212 3.596 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.375 5.146 -3.147 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.762 6.090 1.213 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.695 6.749 1.957 1.00 0.00 C ATOM 1196 C GLU A 77 -15.329 6.251 1.492 1.00 0.00 C ATOM 1197 O GLU A 77 -14.845 5.221 1.958 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.860 6.505 3.459 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.693 7.015 4.288 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.001 7.048 5.772 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.856 5.997 6.432 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.389 8.124 6.275 1.00 0.00 O ATOM 0 H GLU A 77 -18.338 5.455 1.766 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.758 7.820 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.776 6.989 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.980 5.436 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.825 6.379 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.426 8.018 3.954 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.715 6.986 0.568 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.407 6.612 0.039 1.00 0.00 C ATOM 1211 C ILE A 78 -12.370 7.697 0.311 1.00 0.00 C ATOM 1212 O ILE A 78 -12.702 8.880 0.396 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.474 6.331 -1.475 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.491 5.224 -1.761 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.101 5.947 -2.013 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.316 3.999 -0.887 1.00 0.00 C ATOM 0 H ILE A 78 -15.102 7.842 0.171 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.105 5.699 0.552 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.795 7.241 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.496 5.620 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.409 4.928 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.171 5.753 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.400 6.763 -1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.749 5.050 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -15.071 3.257 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.323 3.578 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.427 4.280 0.160 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.114 7.283 0.447 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.027 8.216 0.724 1.00 0.00 C ATOM 1230 C LYS A 79 -8.672 7.528 0.627 1.00 0.00 C ATOM 1231 O LYS A 79 -7.709 8.091 0.106 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.189 8.810 2.128 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.127 7.781 3.253 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.331 6.851 3.248 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.300 5.885 4.422 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.471 4.965 4.417 1.00 0.00 N ATOM 0 H LYS A 79 -10.824 6.308 0.370 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.071 9.009 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.409 9.554 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.144 9.333 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.215 7.192 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.072 8.296 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.247 7.441 3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.353 6.289 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.380 5.301 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.285 6.448 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.007 5.080 5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.085 5.189 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.140 3.982 4.339 1.00 0.00 H new ATOM 1250 N THR A 80 -8.613 6.307 1.136 1.00 0.00 N ATOM 1251 CA THR A 80 -7.381 5.537 1.151 1.00 0.00 C ATOM 1252 C THR A 80 -7.028 4.958 -0.217 1.00 0.00 C ATOM 1253 O THR A 80 -6.233 4.021 -0.304 1.00 0.00 O ATOM 1254 CB THR A 80 -7.481 4.396 2.176 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.390 3.392 1.707 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.962 4.936 3.515 1.00 0.00 C ATOM 0 H THR A 80 -9.412 5.825 1.547 1.00 0.00 H new ATOM 0 HA THR A 80 -6.585 6.227 1.430 1.00 0.00 H new ATOM 0 HB THR A 80 -6.493 3.953 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.694 2.847 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.029 4.119 4.234 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.258 5.684 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.944 5.393 3.392 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.610 5.509 -1.283 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.315 5.026 -2.634 1.00 0.00 C ATOM 1266 C ASP A 81 -7.672 3.553 -2.778 1.00 0.00 C ATOM 1267 O ASP A 81 -7.333 2.911 -3.773 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.831 5.200 -2.917 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.415 6.656 -2.986 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.094 7.232 -1.925 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.412 7.221 -4.099 1.00 0.00 O ATOM 0 H ASP A 81 -8.278 6.278 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.910 5.603 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.256 4.699 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.585 4.711 -3.860 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.351 3.038 -1.767 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.753 1.639 -1.729 1.00 0.00 C ATOM 1278 C LEU A 82 -7.523 0.749 -1.581 1.00 0.00 C ATOM 1279 O LEU A 82 -7.288 -0.139 -2.397 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.527 1.267 -2.997 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.828 2.045 -3.249 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.540 2.361 -1.943 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.548 3.322 -4.024 1.00 0.00 C ATOM 0 H LEU A 82 -8.640 3.576 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.407 1.487 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.870 1.411 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.766 0.204 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.484 1.413 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.457 2.912 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.784 1.432 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.890 2.966 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.482 3.858 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.866 3.952 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.095 3.073 -4.984 1.00 0.00 H new ATOM 1295 N SER A 83 -6.739 0.995 -0.540 1.00 0.00 N ATOM 1296 CA SER A 83 -5.569 0.174 -0.261 1.00 0.00 C ATOM 1297 C SER A 83 -5.948 -0.927 0.730 1.00 0.00 C ATOM 1298 O SER A 83 -6.578 -0.652 1.751 1.00 0.00 O ATOM 1299 CB SER A 83 -4.429 1.028 0.300 1.00 0.00 C ATOM 1300 OG SER A 83 -4.772 1.573 1.563 1.00 0.00 O ATOM 0 H SER A 83 -6.891 1.754 0.124 1.00 0.00 H new ATOM 0 HA SER A 83 -5.223 -0.279 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.529 0.421 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.198 1.834 -0.396 1.00 0.00 H new ATOM 0 HG SER A 83 -4.026 2.113 1.900 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.574 -2.169 0.415 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.884 -3.321 1.270 1.00 0.00 C ATOM 1308 C PHE A 84 -5.838 -2.960 2.754 1.00 0.00 C ATOM 1309 O PHE A 84 -4.992 -2.179 3.190 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.906 -4.465 0.997 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.974 -5.561 2.025 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.976 -6.516 1.975 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.039 -5.628 3.047 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -6.045 -7.518 2.924 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.103 -6.628 3.998 1.00 0.00 C ATOM 1316 CZ PHE A 84 -5.107 -7.575 3.937 1.00 0.00 C ATOM 0 H PHE A 84 -5.053 -2.405 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.899 -3.636 1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.114 -4.885 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.892 -4.067 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.712 -6.477 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.252 -4.890 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.832 -8.256 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.369 -6.669 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.159 -8.358 4.679 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.752 -3.547 3.524 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.800 -3.301 4.953 1.00 0.00 C ATOM 1328 C GLY A 85 -7.517 -2.016 5.323 1.00 0.00 C ATOM 1329 O GLY A 85 -6.939 -1.151 5.983 1.00 0.00 O ATOM 0 H GLY A 85 -7.463 -4.192 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.298 -4.139 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.782 -3.265 5.342 1.00 0.00 H new ATOM 1333 N SER A 86 -8.774 -1.883 4.906 1.00 0.00 N ATOM 1334 CA SER A 86 -9.549 -0.687 5.227 1.00 0.00 C ATOM 1335 C SER A 86 -11.046 -0.948 5.213 1.00 0.00 C ATOM 1336 O SER A 86 -11.533 -1.878 4.571 1.00 0.00 O ATOM 1337 CB SER A 86 -9.233 0.458 4.266 1.00 0.00 C ATOM 1338 OG SER A 86 -7.879 0.861 4.372 1.00 0.00 O ATOM 0 H SER A 86 -9.273 -2.579 4.352 1.00 0.00 H new ATOM 0 HA SER A 86 -9.257 -0.403 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.442 0.145 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.885 1.305 4.480 1.00 0.00 H new ATOM 0 HG SER A 86 -7.426 0.313 5.046 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.757 -0.101 5.941 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.203 -0.182 6.036 1.00 0.00 C ATOM 1346 C GLN A 87 -13.827 1.066 5.420 1.00 0.00 C ATOM 1347 O GLN A 87 -13.426 2.187 5.733 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.621 -0.343 7.506 1.00 0.00 C ATOM 1349 CG GLN A 87 -15.047 0.093 7.811 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.130 1.559 8.188 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.390 2.407 7.203 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -14.975 1.923 9.354 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.347 0.661 6.481 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.560 -1.052 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.506 -1.389 7.790 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.938 0.233 8.130 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.676 -0.092 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.444 -0.513 8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.776 1.235 10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.045 2.912 9.593 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.790 0.867 4.524 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.464 1.982 3.869 1.00 0.00 C ATOM 1363 C ILE A 88 -16.965 1.950 4.142 1.00 0.00 C ATOM 1364 O ILE A 88 -17.686 1.095 3.626 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.216 1.981 2.347 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.489 0.597 1.758 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.790 2.421 2.047 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.449 0.560 0.245 1.00 0.00 C ATOM 0 H ILE A 88 -15.120 -0.054 4.236 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.044 2.897 4.287 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.903 2.689 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.754 -0.106 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.468 0.255 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.627 2.416 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.631 3.428 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.090 1.735 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.652 -0.454 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.203 1.237 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.463 0.870 -0.101 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.427 2.884 4.965 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.836 2.964 5.315 1.00 0.00 C ATOM 1382 C GLU A 89 -19.645 3.589 4.187 1.00 0.00 C ATOM 1383 O GLU A 89 -19.223 4.568 3.572 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.016 3.778 6.595 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.096 2.933 7.854 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.340 3.766 9.097 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -20.520 4.000 9.433 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.351 4.186 9.733 1.00 0.00 O ATOM 0 H GLU A 89 -16.843 3.597 5.402 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.201 1.950 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.185 4.476 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.925 4.374 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.898 2.202 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.168 2.373 7.972 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.811 3.013 3.923 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.690 3.509 2.873 1.00 0.00 C ATOM 1397 C PHE A 90 -22.748 4.433 3.463 1.00 0.00 C ATOM 1398 O PHE A 90 -22.792 4.640 4.676 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.348 2.339 2.145 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.356 1.341 1.621 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.794 1.496 0.363 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.981 0.251 2.391 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.877 0.581 -0.116 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -20.065 -0.665 1.916 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.512 -0.501 0.662 1.00 0.00 C ATOM 0 H PHE A 90 -21.170 2.200 4.423 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.097 4.077 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.036 1.836 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.942 2.722 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.076 2.340 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.410 0.117 3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.446 0.711 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.781 -1.510 2.525 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.795 -1.217 0.289 1.00 0.00 H new ATOM 1415 N SER A 91 -23.601 4.985 2.606 1.00 0.00 N ATOM 1416 CA SER A 91 -24.643 5.891 3.072 1.00 0.00 C ATOM 1417 C SER A 91 -25.800 5.978 2.089 1.00 0.00 C ATOM 1418 O SER A 91 -25.671 6.553 1.013 1.00 0.00 O ATOM 1419 CB SER A 91 -24.074 7.288 3.310 1.00 0.00 C ATOM 1420 OG SER A 91 -23.038 7.264 4.277 1.00 0.00 O ATOM 0 H SER A 91 -23.592 4.824 1.599 1.00 0.00 H new ATOM 0 HA SER A 91 -25.021 5.485 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.690 7.691 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.869 7.955 3.642 1.00 0.00 H new ATOM 0 HG SER A 91 -23.064 6.413 4.763 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.934 5.421 2.484 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.110 5.459 1.630 1.00 0.00 C ATOM 1428 C CYS A 92 -28.858 6.767 1.867 1.00 0.00 C ATOM 1429 O CYS A 92 -29.346 7.024 2.968 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.013 4.249 1.878 1.00 0.00 C ATOM 1431 SG CYS A 92 -30.134 3.889 0.501 1.00 0.00 S ATOM 0 H CYS A 92 -27.065 4.944 3.376 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.797 5.412 0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.391 3.374 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.601 4.423 2.779 1.00 0.00 H new ATOM 1436 N SER A 93 -28.933 7.589 0.823 1.00 0.00 N ATOM 1437 CA SER A 93 -29.584 8.898 0.911 1.00 0.00 C ATOM 1438 C SER A 93 -30.965 8.829 1.556 1.00 0.00 C ATOM 1439 O SER A 93 -31.523 7.752 1.764 1.00 0.00 O ATOM 1440 CB SER A 93 -29.695 9.530 -0.477 1.00 0.00 C ATOM 1441 OG SER A 93 -29.802 8.538 -1.483 1.00 0.00 O ATOM 0 H SER A 93 -28.550 7.373 -0.097 1.00 0.00 H new ATOM 0 HA SER A 93 -28.956 9.517 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.566 10.184 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 93 -28.821 10.152 -0.667 1.00 0.00 H new ATOM 0 HG SER A 93 -30.574 7.964 -1.296 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.504 10.008 1.860 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.817 10.137 2.486 1.00 0.00 C ATOM 1449 C GLU A 94 -33.858 9.252 1.805 1.00 0.00 C ATOM 1450 O GLU A 94 -33.772 8.969 0.611 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.261 11.602 2.447 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.734 11.809 2.755 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.105 13.273 2.879 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.389 13.905 1.840 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.112 13.789 4.017 1.00 0.00 O ATOM 0 H GLU A 94 -31.043 10.900 1.679 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.733 9.805 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.667 12.170 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.046 12.010 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.333 11.352 1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.983 11.295 3.684 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.846 8.826 2.591 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.909 7.984 2.074 1.00 0.00 C ATOM 1464 C GLY A 95 -35.490 6.538 1.909 1.00 0.00 C ATOM 1465 O GLY A 95 -36.290 5.633 2.140 1.00 0.00 O ATOM 0 H GLY A 95 -34.927 9.052 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.765 8.034 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.238 8.374 1.111 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.244 6.309 1.513 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.766 4.948 1.305 1.00 0.00 C ATOM 1471 C PHE A 96 -32.731 4.592 2.363 1.00 0.00 C ATOM 1472 O PHE A 96 -31.798 5.354 2.612 1.00 0.00 O ATOM 1473 CB PHE A 96 -33.150 4.789 -0.085 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.388 5.955 -0.994 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.621 6.147 -1.597 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.374 6.861 -1.243 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.838 7.224 -2.434 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -32.583 7.942 -2.080 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.816 8.123 -2.676 1.00 0.00 C ATOM 0 H PHE A 96 -33.554 7.038 1.331 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.619 4.274 1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.076 4.637 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.555 3.890 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.421 5.446 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.408 6.723 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.803 7.363 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -31.784 8.644 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 96 -33.981 8.966 -3.330 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.898 3.434 2.987 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.970 2.992 4.016 1.00 0.00 C ATOM 1491 C PHE A 97 -30.902 2.080 3.430 1.00 0.00 C ATOM 1492 O PHE A 97 -30.999 1.614 2.294 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.722 2.299 5.157 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.308 0.962 4.799 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.322 0.861 3.861 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.852 -0.193 5.415 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.872 -0.367 3.544 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.397 -1.424 5.100 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.408 -1.510 4.163 1.00 0.00 C ATOM 0 H PHE A 97 -33.664 2.787 2.799 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.469 3.870 4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.040 2.169 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.525 2.954 5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.687 1.752 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.062 -0.131 6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.664 -0.432 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.033 -2.317 5.586 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.835 -2.471 3.915 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.884 1.838 4.241 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.771 0.996 3.836 1.00 0.00 C ATOM 1511 C LEU A 98 -29.063 -0.468 4.132 1.00 0.00 C ATOM 1512 O LEU A 98 -29.644 -0.802 5.165 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.497 1.427 4.553 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.215 0.810 4.000 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.034 1.720 4.281 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.988 -0.570 4.595 1.00 0.00 C ATOM 0 H LEU A 98 -29.806 2.214 5.186 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.632 1.110 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.415 2.513 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.584 1.167 5.608 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.316 0.700 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.125 1.270 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.199 2.687 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.929 1.858 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.070 -0.995 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.903 -0.489 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.829 -1.217 4.344 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.655 -1.337 3.215 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.838 -2.777 3.345 1.00 0.00 C ATOM 1530 C ILE A 99 -27.838 -3.492 2.459 1.00 0.00 C ATOM 1531 O ILE A 99 -28.042 -3.669 1.260 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.248 -3.214 2.909 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.116 -1.991 2.645 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.878 -4.108 3.966 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.313 -2.264 1.764 1.00 0.00 C ATOM 0 H ILE A 99 -28.184 -1.060 2.354 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.695 -3.032 4.395 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.170 -3.787 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.463 -1.592 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.504 -1.218 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.875 -4.408 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.260 -4.995 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.951 -3.563 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.879 -1.343 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.975 -2.633 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.949 -3.013 2.236 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.750 -3.897 3.093 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.674 -4.582 2.408 1.00 0.00 C ATOM 1549 C GLY A 100 -24.361 -4.390 3.128 1.00 0.00 C ATOM 1550 O GLY A 100 -23.329 -4.144 2.504 1.00 0.00 O ATOM 0 H GLY A 100 -26.591 -3.760 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.902 -5.646 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.591 -4.207 1.388 1.00 0.00 H new ATOM 1554 N SER A 101 -24.415 -4.501 4.449 1.00 0.00 N ATOM 1555 CA SER A 101 -23.239 -4.319 5.290 1.00 0.00 C ATOM 1556 C SER A 101 -22.773 -2.870 5.217 1.00 0.00 C ATOM 1557 O SER A 101 -22.164 -2.457 4.230 1.00 0.00 O ATOM 1558 CB SER A 101 -22.107 -5.256 4.857 1.00 0.00 C ATOM 1559 OG SER A 101 -20.988 -5.137 5.717 1.00 0.00 O ATOM 0 H SER A 101 -25.268 -4.718 4.964 1.00 0.00 H new ATOM 0 HA SER A 101 -23.508 -4.562 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.463 -6.286 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.810 -5.024 3.834 1.00 0.00 H new ATOM 0 HG SER A 101 -20.238 -4.741 5.226 1.00 0.00 H new ATOM 1565 N THR A 102 -23.063 -2.095 6.263 1.00 0.00 N ATOM 1566 CA THR A 102 -22.676 -0.689 6.294 1.00 0.00 C ATOM 1567 C THR A 102 -21.168 -0.549 6.259 1.00 0.00 C ATOM 1568 O THR A 102 -20.637 0.559 6.177 1.00 0.00 O ATOM 1569 CB THR A 102 -23.211 0.028 7.550 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.673 -0.584 8.727 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.730 -0.016 7.602 1.00 0.00 C ATOM 0 H THR A 102 -23.561 -2.417 7.093 1.00 0.00 H new ATOM 0 HA THR A 102 -23.115 -0.223 5.412 1.00 0.00 H new ATOM 0 HB THR A 102 -22.898 1.071 7.503 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.015 -0.123 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.078 0.497 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.139 0.477 6.720 1.00 0.00 H new ATOM 0 HG23 THR A 102 -25.063 -1.054 7.625 1.00 0.00 H new ATOM 1579 N THR A 103 -20.485 -1.675 6.324 1.00 0.00 N ATOM 1580 CA THR A 103 -19.044 -1.683 6.279 1.00 0.00 C ATOM 1581 C THR A 103 -18.566 -2.512 5.103 1.00 0.00 C ATOM 1582 O THR A 103 -19.294 -3.364 4.594 1.00 0.00 O ATOM 1583 CB THR A 103 -18.449 -2.226 7.580 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.970 -3.530 7.859 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.754 -1.287 8.735 1.00 0.00 C ATOM 0 H THR A 103 -20.911 -2.598 6.408 1.00 0.00 H new ATOM 0 HA THR A 103 -18.705 -0.654 6.158 1.00 0.00 H new ATOM 0 HB THR A 103 -17.368 -2.296 7.461 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.580 -3.867 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.324 -1.688 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.324 -0.307 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.834 -1.192 8.851 1.00 0.00 H new ATOM 1593 N SER A 104 -17.343 -2.260 4.674 1.00 0.00 N ATOM 1594 CA SER A 104 -16.742 -3.007 3.589 1.00 0.00 C ATOM 1595 C SER A 104 -15.251 -3.124 3.856 1.00 0.00 C ATOM 1596 O SER A 104 -14.543 -2.119 3.908 1.00 0.00 O ATOM 1597 CB SER A 104 -16.997 -2.326 2.244 1.00 0.00 C ATOM 1598 OG SER A 104 -16.454 -3.084 1.177 1.00 0.00 O ATOM 0 H SER A 104 -16.742 -1.535 5.067 1.00 0.00 H new ATOM 0 HA SER A 104 -17.190 -3.999 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.069 -2.199 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.555 -1.330 2.248 1.00 0.00 H new ATOM 0 HG SER A 104 -15.485 -2.944 1.137 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.778 -4.348 4.034 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.371 -4.596 4.320 1.00 0.00 C ATOM 1606 C ARG A 105 -12.653 -5.135 3.096 1.00 0.00 C ATOM 1607 O ARG A 105 -13.280 -5.513 2.106 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.232 -5.580 5.483 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.887 -5.097 6.768 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.573 -6.018 7.934 1.00 0.00 C ATOM 1611 NE ARG A 105 -12.135 -6.171 8.134 1.00 0.00 N ATOM 1612 CZ ARG A 105 -11.598 -6.847 9.145 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.377 -7.426 10.048 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -10.281 -6.943 9.253 1.00 0.00 N ATOM 0 H ARG A 105 -15.351 -5.190 3.985 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.911 -3.648 4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.674 -6.534 5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.174 -5.762 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.542 -4.089 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.967 -5.041 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.026 -5.621 8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.021 -6.996 7.756 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.506 -5.734 7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.391 -7.354 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.962 -7.944 10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.679 -6.498 8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.869 -7.462 10.029 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.332 -5.183 3.179 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.518 -5.663 2.078 1.00 0.00 C ATOM 1630 C CYS A 106 -9.900 -7.015 2.395 1.00 0.00 C ATOM 1631 O CYS A 106 -9.050 -7.139 3.277 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.416 -4.653 1.746 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.920 -3.369 0.555 1.00 0.00 S ATOM 0 H CYS A 106 -10.802 -4.894 4.001 1.00 0.00 H new ATOM 0 HA CYS A 106 -11.170 -5.779 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.090 -4.171 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.556 -5.189 1.345 1.00 0.00 H new ATOM 1638 N GLU A 107 -10.347 -8.023 1.662 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.890 -9.384 1.854 1.00 0.00 C ATOM 1640 C GLU A 107 -9.156 -9.857 0.612 1.00 0.00 C ATOM 1641 O GLU A 107 -9.371 -9.334 -0.477 1.00 0.00 O ATOM 1642 CB GLU A 107 -11.085 -10.290 2.160 1.00 0.00 C ATOM 1643 CG GLU A 107 -10.713 -11.743 2.400 1.00 0.00 C ATOM 1644 CD GLU A 107 -11.911 -12.599 2.763 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -12.233 -12.690 3.967 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -12.528 -13.177 1.844 1.00 0.00 O ATOM 0 H GLU A 107 -11.037 -7.917 0.918 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.201 -9.425 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.602 -9.908 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.789 -10.238 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.241 -12.146 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.976 -11.798 3.201 1.00 0.00 H new ATOM 1653 N VAL A 108 -8.309 -10.854 0.765 1.00 0.00 N ATOM 1654 CA VAL A 108 -7.553 -11.322 -0.372 1.00 0.00 C ATOM 1655 C VAL A 108 -7.392 -12.829 -0.466 1.00 0.00 C ATOM 1656 O VAL A 108 -7.170 -13.534 0.518 1.00 0.00 O ATOM 1657 CB VAL A 108 -6.192 -10.625 -0.442 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -5.767 -10.097 0.903 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -5.122 -11.525 -1.034 1.00 0.00 C ATOM 0 H VAL A 108 -8.131 -11.343 1.642 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.154 -11.050 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.311 -9.774 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.796 -9.609 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.503 -9.377 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.693 -10.922 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.173 -10.990 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.016 -12.418 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.408 -11.814 -2.045 1.00 0.00 H new ATOM 1669 N GLN A 109 -7.515 -13.280 -1.706 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.401 -14.687 -2.042 1.00 0.00 C ATOM 1671 C GLN A 109 -6.398 -14.889 -3.174 1.00 0.00 C ATOM 1672 O GLN A 109 -6.637 -14.471 -4.307 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.779 -15.206 -2.452 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.911 -14.264 -2.054 1.00 0.00 C ATOM 1675 CD GLN A 109 -11.269 -14.727 -2.548 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -11.514 -15.925 -2.697 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -12.161 -13.774 -2.803 1.00 0.00 N ATOM 0 H GLN A 109 -7.697 -12.677 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.042 -15.241 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.799 -15.354 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.946 -16.181 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.937 -14.174 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.706 -13.270 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.914 -12.794 -2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -13.092 -14.023 -3.136 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.272 -15.528 -2.860 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.232 -15.780 -3.849 1.00 0.00 C ATOM 1688 C ASP A 110 -3.714 -14.470 -4.442 1.00 0.00 C ATOM 1689 O ASP A 110 -3.689 -13.441 -3.767 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.777 -16.682 -4.956 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.047 -18.094 -4.475 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -6.088 -18.310 -3.819 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.216 -18.984 -4.754 1.00 0.00 O ATOM 0 H ASP A 110 -5.059 -15.880 -1.927 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.399 -16.281 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.699 -16.253 -5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.064 -16.712 -5.779 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.298 -14.518 -5.708 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.780 -13.339 -6.398 1.00 0.00 C ATOM 1700 C ARG A 111 -3.805 -12.206 -6.415 1.00 0.00 C ATOM 1701 O ARG A 111 -3.509 -11.097 -6.861 1.00 0.00 O ATOM 1702 CB ARG A 111 -2.370 -13.691 -7.829 1.00 0.00 C ATOM 1703 CG ARG A 111 -3.540 -14.039 -8.732 1.00 0.00 C ATOM 1704 CD ARG A 111 -4.127 -15.400 -8.393 1.00 0.00 C ATOM 1705 NE ARG A 111 -5.166 -15.805 -9.335 1.00 0.00 N ATOM 1706 CZ ARG A 111 -5.599 -17.055 -9.460 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -5.088 -18.017 -8.702 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -6.547 -17.345 -10.340 1.00 0.00 N ATOM 0 H ARG A 111 -3.310 -15.364 -6.277 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.903 -12.997 -5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -1.828 -12.849 -8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.680 -14.534 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.312 -13.276 -8.637 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.212 -14.033 -9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.332 -16.146 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.543 -15.373 -7.386 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.583 -15.089 -9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.361 -17.798 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.422 -18.976 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -6.945 -16.608 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.878 -18.305 -10.435 1.00 0.00 H new ATOM 1722 N GLY A 112 -5.007 -12.493 -5.929 1.00 0.00 N ATOM 1723 CA GLY A 112 -6.049 -11.492 -5.888 1.00 0.00 C ATOM 1724 C GLY A 112 -6.031 -10.737 -4.591 1.00 0.00 C ATOM 1725 O GLY A 112 -5.187 -11.001 -3.740 1.00 0.00 O ATOM 0 H GLY A 112 -5.276 -13.406 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.921 -10.797 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.020 -11.969 -6.020 1.00 0.00 H new ATOM 1729 N VAL A 113 -6.953 -9.795 -4.439 1.00 0.00 N ATOM 1730 CA VAL A 113 -7.045 -9.023 -3.211 1.00 0.00 C ATOM 1731 C VAL A 113 -8.011 -7.858 -3.340 1.00 0.00 C ATOM 1732 O VAL A 113 -8.189 -7.282 -4.413 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.667 -8.489 -2.749 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.937 -7.801 -3.883 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.814 -7.551 -1.564 1.00 0.00 C ATOM 0 H VAL A 113 -7.644 -9.549 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.423 -9.715 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.072 -9.346 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.973 -7.437 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.780 -8.509 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.532 -6.961 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.831 -7.191 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.439 -6.704 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.278 -8.084 -0.734 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.628 -7.529 -2.216 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.533 -6.404 -2.218 1.00 0.00 C ATOM 1747 C GLY A 114 -10.891 -6.693 -1.611 1.00 0.00 C ATOM 1748 O GLY A 114 -11.050 -7.638 -0.846 1.00 0.00 O ATOM 0 H GLY A 114 -8.522 -8.009 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.072 -5.581 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.672 -6.067 -3.245 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.880 -5.884 -1.972 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.226 -6.025 -1.428 1.00 0.00 C ATOM 1754 C TRP A 115 -13.828 -7.391 -1.728 1.00 0.00 C ATOM 1755 O TRP A 115 -13.410 -8.086 -2.655 1.00 0.00 O ATOM 1756 CB TRP A 115 -14.148 -4.941 -1.985 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.549 -3.573 -1.961 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.216 -2.815 -3.040 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.211 -2.798 -0.806 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.689 -1.615 -2.633 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.676 -1.580 -1.263 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.310 -3.017 0.570 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.240 -0.586 -0.392 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -12.877 -2.028 1.434 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.349 -0.826 0.950 1.00 0.00 C ATOM 0 H TRP A 115 -11.775 -5.121 -2.641 1.00 0.00 H new ATOM 0 HA TRP A 115 -13.138 -5.920 -0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -14.413 -5.194 -3.012 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -15.074 -4.933 -1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.347 -3.114 -4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.361 -0.871 -3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.717 -3.942 0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -11.830 0.342 -0.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.948 -2.186 2.500 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.021 -0.072 1.651 1.00 0.00 H new ATOM 1776 N SER A 116 -14.820 -7.762 -0.926 1.00 0.00 N ATOM 1777 CA SER A 116 -15.526 -9.024 -1.092 1.00 0.00 C ATOM 1778 C SER A 116 -16.977 -8.735 -1.462 1.00 0.00 C ATOM 1779 O SER A 116 -17.618 -9.502 -2.182 1.00 0.00 O ATOM 1780 CB SER A 116 -15.465 -9.847 0.197 1.00 0.00 C ATOM 1781 OG SER A 116 -16.152 -9.196 1.251 1.00 0.00 O ATOM 0 H SER A 116 -15.155 -7.197 -0.145 1.00 0.00 H new ATOM 0 HA SER A 116 -15.052 -9.601 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.904 -10.830 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.425 -10.007 0.481 1.00 0.00 H new ATOM 0 HG SER A 116 -17.118 -9.305 1.128 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.480 -7.610 -0.953 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.846 -7.165 -1.214 1.00 0.00 C ATOM 1789 C HIS A 117 -18.884 -5.640 -1.319 1.00 0.00 C ATOM 1790 O HIS A 117 -18.690 -4.942 -0.323 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.787 -7.631 -0.100 1.00 0.00 C ATOM 1792 CG HIS A 117 -19.651 -9.085 0.236 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -18.989 -9.541 1.356 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -20.098 -10.189 -0.410 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -19.032 -10.861 1.384 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -19.700 -11.277 0.325 1.00 0.00 N ATOM 0 H HIS A 117 -16.950 -6.982 -0.348 1.00 0.00 H new ATOM 0 HA HIS A 117 -19.179 -7.601 -2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.595 -7.041 0.796 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.816 -7.431 -0.399 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.662 -10.209 -1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -18.595 -11.492 2.144 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -19.890 -12.251 0.090 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.131 -5.101 -2.525 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.172 -3.660 -2.759 1.00 0.00 C ATOM 1807 C PRO A 118 -20.516 -3.029 -2.411 1.00 0.00 C ATOM 1808 O PRO A 118 -21.223 -3.501 -1.519 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.891 -3.530 -4.266 1.00 0.00 C ATOM 1810 CG PRO A 118 -18.823 -4.927 -4.812 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.390 -5.840 -3.761 1.00 0.00 C ATOM 0 HA PRO A 118 -18.454 -3.137 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.678 -2.959 -4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.955 -3.000 -4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.391 -5.007 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.794 -5.200 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.455 -6.019 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.900 -6.813 -3.762 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.843 -1.946 -3.121 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.083 -1.204 -2.919 1.00 0.00 C ATOM 1821 C LEU A 119 -23.237 -2.102 -2.475 1.00 0.00 C ATOM 1822 O LEU A 119 -23.404 -3.212 -2.980 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.480 -0.476 -4.208 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.330 0.031 -5.090 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.258 0.709 -4.252 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.743 -1.102 -5.919 1.00 0.00 C ATOM 0 H LEU A 119 -20.249 -1.560 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.893 -0.485 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.096 -1.149 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.106 0.375 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.734 0.775 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.455 1.059 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.692 1.557 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.857 -0.002 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.930 -0.718 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.360 -1.878 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.517 -1.523 -6.560 1.00 0.00 H new ATOM 1838 N PRO A 120 -24.050 -1.619 -1.519 1.00 0.00 N ATOM 1839 CA PRO A 120 -25.197 -2.359 -1.003 1.00 0.00 C ATOM 1840 C PRO A 120 -26.458 -2.124 -1.830 1.00 0.00 C ATOM 1841 O PRO A 120 -26.387 -1.663 -2.970 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.361 -1.777 0.396 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.926 -0.354 0.265 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.910 -0.309 -0.853 1.00 0.00 C ATOM 0 HA PRO A 120 -25.044 -3.438 -1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.394 -1.846 0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.750 -2.313 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.776 0.291 0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.491 0.005 1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -24.111 0.512 -1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.900 -0.163 -0.469 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.609 -2.442 -1.248 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.890 -2.265 -1.923 1.00 0.00 C ATOM 1854 C GLN A 121 -29.682 -1.119 -1.303 1.00 0.00 C ATOM 1855 O GLN A 121 -30.046 -1.171 -0.127 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.708 -3.554 -1.847 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.059 -4.135 -3.207 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.915 -5.383 -3.109 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.738 -6.143 -2.034 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -31.727 -5.662 -3.993 1.00 0.00 N flip ATOM 0 H GLN A 121 -27.681 -2.826 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.690 -2.023 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.148 -4.296 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.628 -3.358 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.587 -3.383 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.141 -4.371 -3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.831 -5.050 -4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -32.296 -6.505 -3.916 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.947 -0.085 -2.096 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.702 1.058 -1.610 1.00 0.00 C ATOM 1871 C CYS A 122 -32.158 0.984 -2.053 1.00 0.00 C ATOM 1872 O CYS A 122 -32.466 1.093 -3.240 1.00 0.00 O ATOM 1873 CB CYS A 122 -30.069 2.354 -2.104 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.916 3.090 -0.911 1.00 0.00 S ATOM 0 H CYS A 122 -29.651 -0.018 -3.070 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.678 1.041 -0.520 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.540 2.159 -3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.857 3.073 -2.328 1.00 0.00 H new ATOM 1879 N GLU A 123 -33.050 0.796 -1.086 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.476 0.713 -1.366 1.00 0.00 C ATOM 1881 C GLU A 123 -35.236 1.659 -0.443 1.00 0.00 C ATOM 1882 O GLU A 123 -34.907 1.789 0.736 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.974 -0.722 -1.178 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.437 -0.914 -1.544 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.720 -0.600 -3.000 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.623 -1.523 -3.836 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -37.036 0.569 -3.305 1.00 0.00 O ATOM 0 H GLU A 123 -32.808 0.698 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.651 1.005 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.366 -1.391 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.827 -1.015 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.728 -1.943 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -37.053 -0.274 -0.912 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.252 2.317 -0.988 1.00 0.00 N ATOM 1895 CA ILE A 124 -37.036 3.267 -0.210 1.00 0.00 C ATOM 1896 C ILE A 124 -37.807 2.549 0.897 1.00 0.00 C ATOM 1897 O ILE A 124 -38.299 1.436 0.704 1.00 0.00 O ATOM 1898 CB ILE A 124 -38.015 4.053 -1.116 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.295 5.448 -0.538 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -39.312 3.281 -1.318 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.137 5.448 0.722 1.00 0.00 C ATOM 0 H ILE A 124 -36.550 2.211 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.345 3.976 0.246 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.543 4.178 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -37.344 5.937 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.798 6.047 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.982 3.856 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -39.095 2.322 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.789 3.112 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.285 6.473 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -40.104 4.991 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -38.628 4.879 1.500 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.893 3.186 2.061 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.601 2.613 3.200 1.00 0.00 C ATOM 1915 C LEU A 125 -40.016 2.195 2.809 1.00 0.00 C ATOM 1916 O LEU A 125 -40.326 1.006 2.750 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.651 3.617 4.354 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.291 4.153 4.812 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.474 5.243 5.858 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.426 3.027 5.363 1.00 0.00 C ATOM 0 H LEU A 125 -37.480 4.101 2.240 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.058 1.725 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -39.274 4.460 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -39.142 3.144 5.204 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.784 4.583 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.498 5.613 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -38.053 6.063 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -38.003 4.835 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.465 3.430 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.927 2.566 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.266 2.278 4.587 1.00 0.00 H new