USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 557 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 26 HIS : no HE2:sc= -8.57! C(o=-8!,f=-8.6!) USER MOD Set 1.2: A 27 ASN : amide:sc= 0.566 K(o=-8,f=-8.5) USER MOD Single : A 5 SER OG : rot 31:sc= 0.185 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0215 F(o=-1.2,f=-0.021) USER MOD Single : A 10 THR OG1 : rot 100:sc= 0.92 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.96) USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= 0.77 (180deg=-0.0219) USER MOD Single : A 15 TYR OH : rot 168:sc= -1.49! USER MOD Single : A 20 SER OG : rot -17:sc= -1.03! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.01! C(o=-2!,f=-6.5!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00378 USER MOD Single : A 34 SER OG : rot 81:sc= 1.28 USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.21) USER MOD Single : A 37 MET CE :methyl -137:sc= -0.419 (180deg=-2.45!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 40 SER OG : rot 150:sc= 0.00954 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.574 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0196 F(o=-2.3!,f=-0.02) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ -129:sc= 0.752 (180deg=-0.493) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 62 HIS : no HD1:sc= -6.92! C(o=-6.9!,f=-7.4!) USER MOD Single : A 64 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-5.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -2.05 K(o=-2.1,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -16.805 8.441 0.202 1.00 0.00 N ATOM 2 CA SER A 5 -16.421 7.300 -0.610 1.00 0.00 C ATOM 3 C SER A 5 -15.566 6.331 0.205 1.00 0.00 C ATOM 4 O SER A 5 -14.348 6.253 0.023 1.00 0.00 O ATOM 5 CB SER A 5 -15.651 7.780 -1.842 1.00 0.00 C ATOM 6 OG SER A 5 -16.369 8.798 -2.525 1.00 0.00 O ATOM 0 HA SER A 5 -17.320 6.776 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.674 8.158 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.474 6.941 -2.515 1.00 0.00 H new ATOM 0 HG SER A 5 -16.898 9.313 -1.881 1.00 0.00 H new ATOM 12 N GLN A 6 -16.204 5.606 1.118 1.00 0.00 N ATOM 13 CA GLN A 6 -15.489 4.659 1.962 1.00 0.00 C ATOM 14 C GLN A 6 -14.927 3.523 1.115 1.00 0.00 C ATOM 15 O GLN A 6 -15.461 3.214 0.048 1.00 0.00 O ATOM 16 CB GLN A 6 -16.395 4.107 3.065 1.00 0.00 C ATOM 17 CG GLN A 6 -17.458 3.138 2.576 1.00 0.00 C ATOM 18 CD GLN A 6 -18.152 2.427 3.720 1.00 0.00 C ATOM 19 OE1 GLN A 6 -18.338 2.992 4.799 1.00 0.00 O ATOM 20 NE2 GLN A 6 -18.510 1.173 3.503 1.00 0.00 N ATOM 0 H GLN A 6 -17.208 5.656 1.291 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.663 5.185 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.777 3.604 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.884 4.941 3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.197 3.679 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.000 2.401 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.337 0.743 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.959 0.635 4.244 1.00 0.00 H new ATOM 29 N GLN A 7 -13.837 2.927 1.594 1.00 0.00 N ATOM 30 CA GLN A 7 -13.104 1.884 0.874 1.00 0.00 C ATOM 31 C GLN A 7 -12.346 2.463 -0.317 1.00 0.00 C ATOM 32 O GLN A 7 -11.152 2.228 -0.468 1.00 0.00 O ATOM 33 CB GLN A 7 -14.013 0.735 0.433 1.00 0.00 C ATOM 34 CG GLN A 7 -13.782 -0.534 1.212 1.00 0.00 C ATOM 35 CD GLN A 7 -14.216 -0.438 2.651 1.00 0.00 C ATOM 36 OE1 GLN A 7 -15.285 0.278 2.898 1.00 0.00 O flip ATOM 37 NE2 GLN A 7 -13.605 -1.039 3.535 1.00 0.00 N flip ATOM 0 H GLN A 7 -13.433 3.156 2.502 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.378 1.470 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.054 1.039 0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.852 0.538 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.321 -1.350 0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.722 -0.786 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.777 -1.586 3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.927 -0.990 4.501 1.00 0.00 H new ATOM 46 N ILE A 8 -13.037 3.238 -1.138 1.00 0.00 N ATOM 47 CA ILE A 8 -12.410 3.920 -2.264 1.00 0.00 C ATOM 48 C ILE A 8 -11.343 4.883 -1.753 1.00 0.00 C ATOM 49 O ILE A 8 -10.371 5.198 -2.436 1.00 0.00 O ATOM 50 CB ILE A 8 -13.453 4.695 -3.102 1.00 0.00 C ATOM 51 CG1 ILE A 8 -14.596 3.772 -3.504 1.00 0.00 C ATOM 52 CG2 ILE A 8 -12.810 5.313 -4.337 1.00 0.00 C ATOM 53 CD1 ILE A 8 -15.730 4.476 -4.216 1.00 0.00 C ATOM 0 H ILE A 8 -14.038 3.412 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.951 3.167 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.852 5.503 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.205 2.987 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.987 3.284 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.565 5.852 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.024 6.004 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.380 4.526 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.505 3.753 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.149 5.243 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.355 4.940 -5.128 1.00 0.00 H new ATOM 65 N ALA A 9 -11.540 5.325 -0.526 1.00 0.00 N ATOM 66 CA ALA A 9 -10.591 6.198 0.140 1.00 0.00 C ATOM 67 C ALA A 9 -9.988 5.515 1.358 1.00 0.00 C ATOM 68 O ALA A 9 -8.791 5.276 1.412 1.00 0.00 O ATOM 69 CB ALA A 9 -11.259 7.509 0.534 1.00 0.00 C ATOM 0 H ALA A 9 -12.358 5.091 0.036 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.783 6.418 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.533 8.152 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.634 8.009 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.089 7.306 1.211 1.00 0.00 H new ATOM 75 N THR A 10 -10.838 5.181 2.313 1.00 0.00 N ATOM 76 CA THR A 10 -10.411 4.631 3.599 1.00 0.00 C ATOM 77 C THR A 10 -9.661 3.297 3.496 1.00 0.00 C ATOM 78 O THR A 10 -8.769 3.033 4.303 1.00 0.00 O ATOM 79 CB THR A 10 -11.603 4.472 4.554 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.717 3.871 3.881 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.017 5.817 5.129 1.00 0.00 C ATOM 0 H THR A 10 -11.849 5.282 2.223 1.00 0.00 H new ATOM 0 HA THR A 10 -9.704 5.360 3.995 1.00 0.00 H new ATOM 0 HB THR A 10 -11.290 3.821 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.755 2.916 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.863 5.680 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.182 6.250 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.304 6.487 4.318 1.00 0.00 H new ATOM 89 N ALA A 11 -10.000 2.454 2.525 1.00 0.00 N ATOM 90 CA ALA A 11 -9.301 1.178 2.376 1.00 0.00 C ATOM 91 C ALA A 11 -7.927 1.410 1.775 1.00 0.00 C ATOM 92 O ALA A 11 -6.943 0.789 2.177 1.00 0.00 O ATOM 93 CB ALA A 11 -10.097 0.195 1.533 1.00 0.00 C ATOM 0 H ALA A 11 -10.738 2.624 1.842 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.189 0.736 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.544 -0.740 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.060 0.005 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.259 0.615 0.540 1.00 0.00 H new ATOM 99 N LYS A 12 -7.868 2.328 0.818 1.00 0.00 N ATOM 100 CA LYS A 12 -6.601 2.761 0.259 1.00 0.00 C ATOM 101 C LYS A 12 -5.793 3.479 1.335 1.00 0.00 C ATOM 102 O LYS A 12 -4.588 3.291 1.452 1.00 0.00 O ATOM 103 CB LYS A 12 -6.834 3.673 -0.950 1.00 0.00 C ATOM 104 CG LYS A 12 -5.561 4.271 -1.518 1.00 0.00 C ATOM 105 CD LYS A 12 -5.809 4.954 -2.851 1.00 0.00 C ATOM 106 CE LYS A 12 -4.536 5.580 -3.391 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.096 6.735 -2.567 1.00 0.00 N ATOM 0 H LYS A 12 -8.686 2.785 0.415 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.040 1.891 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.337 3.104 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.506 4.481 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.150 4.991 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.815 3.487 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.194 4.229 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.573 5.722 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.745 4.830 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.699 5.907 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.295 7.208 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.882 7.408 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.802 6.399 -1.627 1.00 0.00 H new ATOM 121 N ASP A 13 -6.489 4.284 2.127 1.00 0.00 N ATOM 122 CA ASP A 13 -5.909 4.968 3.278 1.00 0.00 C ATOM 123 C ASP A 13 -5.249 3.974 4.234 1.00 0.00 C ATOM 124 O ASP A 13 -4.109 4.171 4.661 1.00 0.00 O ATOM 125 CB ASP A 13 -7.002 5.743 4.019 1.00 0.00 C ATOM 126 CG ASP A 13 -6.482 6.422 5.268 1.00 0.00 C ATOM 127 OD1 ASP A 13 -5.831 7.481 5.155 1.00 0.00 O ATOM 128 OD2 ASP A 13 -6.721 5.895 6.374 1.00 0.00 O ATOM 0 H ASP A 13 -7.480 4.483 1.989 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.145 5.657 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.428 6.492 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.808 5.061 4.288 1.00 0.00 H new ATOM 133 N LYS A 14 -5.977 2.912 4.575 1.00 0.00 N ATOM 134 CA LYS A 14 -5.472 1.875 5.455 1.00 0.00 C ATOM 135 C LYS A 14 -4.291 1.150 4.809 1.00 0.00 C ATOM 136 O LYS A 14 -3.322 0.804 5.481 1.00 0.00 O ATOM 137 CB LYS A 14 -6.593 0.889 5.779 1.00 0.00 C ATOM 138 CG LYS A 14 -6.312 0.024 6.987 1.00 0.00 C ATOM 139 CD LYS A 14 -7.470 -0.922 7.278 1.00 0.00 C ATOM 140 CE LYS A 14 -7.188 -1.800 8.487 1.00 0.00 C ATOM 141 NZ LYS A 14 -8.064 -3.003 8.514 1.00 0.00 N ATOM 0 H LYS A 14 -6.930 2.752 4.247 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.122 2.333 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.516 1.444 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.761 0.247 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.403 -0.553 6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.131 0.658 7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.378 -0.344 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.654 -1.550 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.144 -2.111 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.337 -1.222 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.645 -2.990 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.684 -3.000 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.476 -3.861 8.506 1.00 0.00 H new ATOM 155 N TYR A 15 -4.372 0.935 3.499 1.00 0.00 N ATOM 156 CA TYR A 15 -3.286 0.296 2.763 1.00 0.00 C ATOM 157 C TYR A 15 -2.056 1.191 2.740 1.00 0.00 C ATOM 158 O TYR A 15 -0.921 0.721 2.830 1.00 0.00 O ATOM 159 CB TYR A 15 -3.707 -0.028 1.329 1.00 0.00 C ATOM 160 CG TYR A 15 -2.566 -0.563 0.500 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.176 -1.888 0.617 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.861 0.255 -0.380 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.125 -2.386 -0.117 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.803 -0.238 -1.115 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.441 -1.560 -0.978 1.00 0.00 C ATOM 166 OH TYR A 15 0.612 -2.058 -1.699 1.00 0.00 O ATOM 0 H TYR A 15 -5.176 1.193 2.927 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.045 -0.635 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.514 -0.761 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.104 0.871 0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.706 -2.540 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.147 1.291 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.838 -3.422 -0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.263 0.407 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 15 0.869 -1.413 -2.391 1.00 0.00 H new ATOM 176 N GLU A 16 -2.285 2.482 2.601 1.00 0.00 N ATOM 177 CA GLU A 16 -1.237 3.450 2.637 1.00 0.00 C ATOM 178 C GLU A 16 -0.539 3.444 3.989 1.00 0.00 C ATOM 179 O GLU A 16 0.671 3.688 4.073 1.00 0.00 O ATOM 180 CB GLU A 16 -1.846 4.797 2.315 1.00 0.00 C ATOM 181 CG GLU A 16 -1.830 5.106 0.838 1.00 0.00 C ATOM 182 CD GLU A 16 -2.246 6.526 0.530 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.499 7.459 0.896 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.319 6.710 -0.082 1.00 0.00 O ATOM 0 H GLU A 16 -3.214 2.879 2.460 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.469 3.214 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.874 4.822 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.301 5.575 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.827 4.933 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.497 4.417 0.320 1.00 0.00 H new ATOM 191 N TRP A 17 -1.286 3.125 5.043 1.00 0.00 N ATOM 192 CA TRP A 17 -0.675 2.927 6.335 1.00 0.00 C ATOM 193 C TRP A 17 0.061 1.616 6.342 1.00 0.00 C ATOM 194 O TRP A 17 1.096 1.507 6.953 1.00 0.00 O ATOM 195 CB TRP A 17 -1.691 2.929 7.467 1.00 0.00 C ATOM 196 CG TRP A 17 -1.210 2.204 8.680 1.00 0.00 C ATOM 197 CD1 TRP A 17 -0.194 2.541 9.486 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.723 0.998 9.184 1.00 0.00 C ATOM 199 NE1 TRP A 17 -0.046 1.612 10.482 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.997 0.658 10.323 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.736 0.194 8.772 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -1.271 -0.479 11.064 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -3.022 -0.943 9.498 1.00 0.00 C ATOM 204 CH2 TRP A 17 -2.290 -1.263 10.641 1.00 0.00 C ATOM 0 H TRP A 17 -2.298 3.002 5.020 1.00 0.00 H new ATOM 0 HA TRP A 17 0.008 3.760 6.501 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.927 3.959 7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.616 2.470 7.119 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.421 3.421 9.367 1.00 0.00 H new ATOM 0 HE1 TRP A 17 0.660 1.634 11.218 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.309 0.441 7.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.696 -0.730 11.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.822 -1.593 9.178 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.541 -2.153 11.199 1.00 0.00 H new ATOM 215 N LEU A 18 -0.478 0.614 5.673 1.00 0.00 N ATOM 216 CA LEU A 18 0.185 -0.676 5.635 1.00 0.00 C ATOM 217 C LEU A 18 1.611 -0.492 5.143 1.00 0.00 C ATOM 218 O LEU A 18 2.568 -0.969 5.750 1.00 0.00 O ATOM 219 CB LEU A 18 -0.549 -1.663 4.711 1.00 0.00 C ATOM 220 CG LEU A 18 -1.453 -2.667 5.417 1.00 0.00 C ATOM 221 CD1 LEU A 18 -0.657 -3.887 5.858 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.089 -2.003 6.614 1.00 0.00 C ATOM 0 H LEU A 18 -1.357 0.665 5.157 1.00 0.00 H new ATOM 0 HA LEU A 18 0.180 -1.090 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.150 -1.093 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.193 -2.212 4.131 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.228 -2.998 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.320 -4.592 6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.212 -4.366 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.131 -3.578 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.737 -2.716 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.311 -1.666 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.679 -1.147 6.285 1.00 0.00 H new ATOM 234 N VAL A 19 1.732 0.242 4.049 1.00 0.00 N ATOM 235 CA VAL A 19 3.033 0.586 3.501 1.00 0.00 C ATOM 236 C VAL A 19 3.833 1.453 4.467 1.00 0.00 C ATOM 237 O VAL A 19 5.036 1.318 4.550 1.00 0.00 O ATOM 238 CB VAL A 19 2.920 1.302 2.132 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.280 1.783 1.648 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.320 0.377 1.098 1.00 0.00 C ATOM 0 H VAL A 19 0.941 0.612 3.521 1.00 0.00 H new ATOM 0 HA VAL A 19 3.560 -0.356 3.350 1.00 0.00 H new ATOM 0 HB VAL A 19 2.270 2.167 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.168 2.281 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.697 2.482 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.950 0.930 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.248 0.897 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.954 -0.503 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.325 0.069 1.419 1.00 0.00 H new ATOM 250 N SER A 20 3.186 2.334 5.209 1.00 0.00 N ATOM 251 CA SER A 20 3.914 3.181 6.134 1.00 0.00 C ATOM 252 C SER A 20 4.225 2.445 7.439 1.00 0.00 C ATOM 253 O SER A 20 5.137 2.820 8.176 1.00 0.00 O ATOM 254 CB SER A 20 3.127 4.462 6.402 1.00 0.00 C ATOM 255 OG SER A 20 1.968 4.237 7.181 1.00 0.00 O ATOM 0 H SER A 20 2.177 2.480 5.190 1.00 0.00 H new ATOM 0 HA SER A 20 4.867 3.446 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.770 5.179 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.840 4.913 5.452 1.00 0.00 H new ATOM 0 HG SER A 20 1.743 3.283 7.165 1.00 0.00 H new ATOM 261 N ARG A 21 3.473 1.386 7.703 1.00 0.00 N ATOM 262 CA ARG A 21 3.615 0.616 8.901 1.00 0.00 C ATOM 263 C ARG A 21 4.757 -0.382 8.731 1.00 0.00 C ATOM 264 O ARG A 21 5.383 -0.812 9.700 1.00 0.00 O ATOM 265 CB ARG A 21 2.275 -0.071 9.228 1.00 0.00 C ATOM 266 CG ARG A 21 2.283 -1.517 8.898 1.00 0.00 C ATOM 267 CD ARG A 21 1.062 -2.261 9.421 1.00 0.00 C ATOM 268 NE ARG A 21 1.258 -3.714 9.412 1.00 0.00 N ATOM 269 CZ ARG A 21 0.272 -4.604 9.267 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.988 -4.192 9.145 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.547 -5.903 9.265 1.00 0.00 N ATOM 0 H ARG A 21 2.744 1.045 7.077 1.00 0.00 H new ATOM 0 HA ARG A 21 3.867 1.259 9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.055 0.055 10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.474 0.420 8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.336 -1.635 7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.182 -1.972 9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.844 -1.931 10.437 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.195 -2.008 8.811 1.00 0.00 H new ATOM 0 HE ARG A 21 2.208 -4.068 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.202 -3.195 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.739 -4.873 9.034 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.510 -6.221 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.205 -6.583 9.154 1.00 0.00 H new ATOM 285 N ILE A 22 5.026 -0.720 7.479 1.00 0.00 N ATOM 286 CA ILE A 22 6.116 -1.624 7.132 1.00 0.00 C ATOM 287 C ILE A 22 7.295 -0.851 6.548 1.00 0.00 C ATOM 288 O ILE A 22 8.429 -0.949 7.024 1.00 0.00 O ATOM 289 CB ILE A 22 5.658 -2.654 6.096 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.344 -3.282 6.541 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.720 -3.722 5.904 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.490 -4.551 7.354 1.00 0.00 C ATOM 0 H ILE A 22 4.498 -0.378 6.676 1.00 0.00 H new ATOM 0 HA ILE A 22 6.422 -2.130 8.048 1.00 0.00 H new ATOM 0 HB ILE A 22 5.504 -2.152 5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.790 -2.552 7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.744 -3.500 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.378 -4.446 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.644 -3.258 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.901 -4.229 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.503 -4.925 7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.013 -5.303 6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.059 -4.340 8.259 1.00 0.00 H new ATOM 304 N VAL A 23 7.009 -0.090 5.506 1.00 0.00 N ATOM 305 CA VAL A 23 8.008 0.669 4.784 1.00 0.00 C ATOM 306 C VAL A 23 8.260 2.016 5.466 1.00 0.00 C ATOM 307 O VAL A 23 7.548 2.996 5.230 1.00 0.00 O ATOM 308 CB VAL A 23 7.529 0.870 3.338 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.547 1.630 2.520 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.219 -0.473 2.698 1.00 0.00 C ATOM 0 H VAL A 23 6.065 0.018 5.135 1.00 0.00 H new ATOM 0 HA VAL A 23 8.950 0.121 4.780 1.00 0.00 H new ATOM 0 HB VAL A 23 6.617 1.467 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.176 1.755 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.715 2.610 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.485 1.075 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.880 -0.318 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.117 -1.090 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.436 -0.975 3.267 1.00 0.00 H new ATOM 320 N LYS A 24 9.275 2.043 6.318 1.00 0.00 N ATOM 321 CA LYS A 24 9.614 3.229 7.096 1.00 0.00 C ATOM 322 C LYS A 24 10.493 4.175 6.278 1.00 0.00 C ATOM 323 O LYS A 24 10.098 5.289 5.934 1.00 0.00 O ATOM 324 CB LYS A 24 10.377 2.807 8.351 1.00 0.00 C ATOM 325 CG LYS A 24 9.989 3.527 9.601 1.00 0.00 C ATOM 326 CD LYS A 24 8.672 3.062 10.080 1.00 0.00 C ATOM 327 CE LYS A 24 8.280 3.827 11.313 1.00 0.00 C ATOM 328 NZ LYS A 24 6.894 3.529 11.761 1.00 0.00 N ATOM 0 H LYS A 24 9.887 1.245 6.490 1.00 0.00 H new ATOM 0 HA LYS A 24 8.692 3.744 7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.229 1.738 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.442 2.960 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.742 3.361 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.956 4.600 9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.922 3.200 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.711 1.995 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.976 3.590 12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.371 4.895 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.678 4.084 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.224 3.779 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.809 2.515 11.977 1.00 0.00 H new ATOM 342 N ASN A 25 11.691 3.698 5.958 1.00 0.00 N ATOM 343 CA ASN A 25 12.705 4.502 5.278 1.00 0.00 C ATOM 344 C ASN A 25 12.668 4.284 3.768 1.00 0.00 C ATOM 345 O ASN A 25 13.657 4.535 3.085 1.00 0.00 O ATOM 346 CB ASN A 25 14.100 4.144 5.812 1.00 0.00 C ATOM 347 CG ASN A 25 14.489 2.704 5.514 1.00 0.00 C ATOM 348 OD1 ASN A 25 13.636 1.823 5.398 1.00 0.00 O ATOM 349 ND2 ASN A 25 15.776 2.452 5.377 1.00 0.00 N ATOM 0 H ASN A 25 11.988 2.744 6.162 1.00 0.00 H new ATOM 0 HA ASN A 25 12.489 5.552 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.837 4.814 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.126 4.308 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.091 1.504 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.457 3.205 5.479 1.00 0.00 H new ATOM 356 N HIS A 26 11.526 3.787 3.275 1.00 0.00 N ATOM 357 CA HIS A 26 11.275 3.511 1.844 1.00 0.00 C ATOM 358 C HIS A 26 12.253 2.500 1.242 1.00 0.00 C ATOM 359 O HIS A 26 12.138 2.148 0.073 1.00 0.00 O ATOM 360 CB HIS A 26 11.263 4.801 0.993 1.00 0.00 C ATOM 361 CG HIS A 26 12.603 5.380 0.649 1.00 0.00 C ATOM 362 ND1 HIS A 26 12.907 6.677 0.915 1.00 0.00 N ATOM 363 CD2 HIS A 26 13.719 4.842 0.085 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.148 6.924 0.546 1.00 0.00 C ATOM 365 NE2 HIS A 26 14.664 5.828 0.037 1.00 0.00 N ATOM 0 H HIS A 26 10.729 3.558 3.869 1.00 0.00 H new ATOM 0 HA HIS A 26 10.281 3.064 1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.731 4.594 0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.689 5.558 1.527 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.272 7.356 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.836 3.825 -0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.657 7.871 0.646 1.00 0.00 H new ATOM 374 N ASN A 27 13.205 2.038 2.027 1.00 0.00 N ATOM 375 CA ASN A 27 14.265 1.184 1.515 1.00 0.00 C ATOM 376 C ASN A 27 13.868 -0.286 1.601 1.00 0.00 C ATOM 377 O ASN A 27 14.690 -1.167 1.860 1.00 0.00 O ATOM 378 CB ASN A 27 15.558 1.478 2.266 1.00 0.00 C ATOM 379 CG ASN A 27 16.418 2.496 1.558 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.287 2.136 0.768 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.184 3.773 1.795 1.00 0.00 N ATOM 0 H ASN A 27 13.269 2.239 3.025 1.00 0.00 H new ATOM 0 HA ASN A 27 14.430 1.399 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.319 1.841 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.122 0.553 2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.731 4.489 1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.456 4.044 2.456 1.00 0.00 H new ATOM 388 N GLU A 28 12.580 -0.518 1.393 1.00 0.00 N ATOM 389 CA GLU A 28 12.019 -1.851 1.275 1.00 0.00 C ATOM 390 C GLU A 28 11.973 -2.267 -0.196 1.00 0.00 C ATOM 391 O GLU A 28 12.237 -1.461 -1.086 1.00 0.00 O ATOM 392 CB GLU A 28 10.596 -1.878 1.829 1.00 0.00 C ATOM 393 CG GLU A 28 10.468 -1.741 3.335 1.00 0.00 C ATOM 394 CD GLU A 28 11.086 -2.891 4.106 1.00 0.00 C ATOM 395 OE1 GLU A 28 10.455 -3.966 4.193 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.197 -2.722 4.649 1.00 0.00 O ATOM 0 H GLU A 28 11.888 0.226 1.301 1.00 0.00 H new ATOM 0 HA GLU A 28 12.648 -2.538 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.029 -1.073 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.127 -2.815 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.941 -0.810 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.412 -1.666 3.596 1.00 0.00 H new ATOM 403 N ASN A 29 11.602 -3.515 -0.439 1.00 0.00 N ATOM 404 CA ASN A 29 11.497 -4.043 -1.798 1.00 0.00 C ATOM 405 C ASN A 29 10.090 -4.575 -2.049 1.00 0.00 C ATOM 406 O ASN A 29 9.719 -5.614 -1.502 1.00 0.00 O ATOM 407 CB ASN A 29 12.527 -5.154 -2.013 1.00 0.00 C ATOM 408 CG ASN A 29 13.954 -4.642 -1.950 1.00 0.00 C ATOM 409 OD1 ASN A 29 14.246 -3.522 -2.361 1.00 0.00 O ATOM 410 ND2 ASN A 29 14.856 -5.463 -1.438 1.00 0.00 N ATOM 0 H ASN A 29 11.366 -4.188 0.290 1.00 0.00 H new ATOM 0 HA ASN A 29 11.698 -3.237 -2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.387 -5.926 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.355 -5.623 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.832 -5.173 -1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.576 -6.386 -1.107 1.00 0.00 H new ATOM 417 N TRP A 30 9.340 -3.873 -2.907 1.00 0.00 N ATOM 418 CA TRP A 30 7.899 -4.093 -3.104 1.00 0.00 C ATOM 419 C TRP A 30 7.473 -5.560 -3.012 1.00 0.00 C ATOM 420 O TRP A 30 6.623 -5.904 -2.198 1.00 0.00 O ATOM 421 CB TRP A 30 7.453 -3.492 -4.437 1.00 0.00 C ATOM 422 CG TRP A 30 6.138 -4.002 -4.879 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.912 -4.712 -5.987 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.886 -3.860 -4.217 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.585 -5.047 -6.083 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.929 -4.526 -4.997 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.487 -3.235 -3.041 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.589 -4.586 -4.637 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.164 -3.289 -2.682 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.223 -3.960 -3.476 1.00 0.00 C ATOM 0 H TRP A 30 9.719 -3.128 -3.491 1.00 0.00 H new ATOM 0 HA TRP A 30 7.400 -3.586 -2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.405 -2.407 -4.344 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.200 -3.714 -5.199 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.669 -4.985 -6.708 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.159 -5.591 -6.834 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.205 -2.717 -2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.865 -5.105 -5.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.841 -2.806 -1.771 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.189 -3.983 -3.165 1.00 0.00 H new ATOM 441 N LEU A 31 8.064 -6.414 -3.827 1.00 0.00 N ATOM 442 CA LEU A 31 7.656 -7.804 -3.915 1.00 0.00 C ATOM 443 C LEU A 31 7.844 -8.531 -2.589 1.00 0.00 C ATOM 444 O LEU A 31 6.911 -9.129 -2.054 1.00 0.00 O ATOM 445 CB LEU A 31 8.466 -8.483 -4.997 1.00 0.00 C ATOM 446 CG LEU A 31 8.171 -8.022 -6.421 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.686 -8.115 -6.731 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.694 -6.618 -6.698 1.00 0.00 C ATOM 0 H LEU A 31 8.837 -6.165 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 31 6.594 -7.840 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.524 -8.320 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.292 -9.557 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 31 8.706 -8.700 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.506 -7.780 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.356 -9.148 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.130 -7.483 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.458 -6.338 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.224 -5.913 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.774 -6.597 -6.555 1.00 0.00 H new ATOM 460 N SER A 32 9.062 -8.487 -2.078 1.00 0.00 N ATOM 461 CA SER A 32 9.386 -9.069 -0.783 1.00 0.00 C ATOM 462 C SER A 32 8.546 -8.467 0.342 1.00 0.00 C ATOM 463 O SER A 32 8.209 -9.147 1.304 1.00 0.00 O ATOM 464 CB SER A 32 10.851 -8.857 -0.479 1.00 0.00 C ATOM 465 OG SER A 32 11.653 -9.193 -1.597 1.00 0.00 O ATOM 0 H SER A 32 9.855 -8.048 -2.547 1.00 0.00 H new ATOM 0 HA SER A 32 9.161 -10.134 -0.838 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.022 -7.817 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.141 -9.466 0.377 1.00 0.00 H new ATOM 0 HG SER A 32 12.597 -9.046 -1.378 1.00 0.00 H new ATOM 471 N VAL A 33 8.223 -7.192 0.233 1.00 0.00 N ATOM 472 CA VAL A 33 7.405 -6.540 1.244 1.00 0.00 C ATOM 473 C VAL A 33 5.949 -6.934 1.066 1.00 0.00 C ATOM 474 O VAL A 33 5.181 -6.925 2.011 1.00 0.00 O ATOM 475 CB VAL A 33 7.554 -5.010 1.185 1.00 0.00 C ATOM 476 CG1 VAL A 33 6.866 -4.328 2.355 1.00 0.00 C ATOM 477 CG2 VAL A 33 9.015 -4.655 1.165 1.00 0.00 C ATOM 0 H VAL A 33 8.511 -6.589 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 33 7.750 -6.871 2.224 1.00 0.00 H new ATOM 0 HB VAL A 33 7.071 -4.656 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.996 -3.249 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.803 -4.568 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.305 -4.677 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.126 -3.571 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.494 -5.034 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.486 -5.102 0.289 1.00 0.00 H new ATOM 487 N SER A 34 5.587 -7.294 -0.154 1.00 0.00 N ATOM 488 CA SER A 34 4.268 -7.834 -0.434 1.00 0.00 C ATOM 489 C SER A 34 4.156 -9.233 0.147 1.00 0.00 C ATOM 490 O SER A 34 3.085 -9.670 0.535 1.00 0.00 O ATOM 491 CB SER A 34 4.020 -7.858 -1.944 1.00 0.00 C ATOM 492 OG SER A 34 4.034 -6.552 -2.479 1.00 0.00 O ATOM 0 H SER A 34 6.193 -7.221 -0.971 1.00 0.00 H new ATOM 0 HA SER A 34 3.512 -7.199 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.784 -8.463 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.059 -8.330 -2.151 1.00 0.00 H new ATOM 0 HG SER A 34 4.961 -6.263 -2.612 1.00 0.00 H new ATOM 498 N ARG A 35 5.288 -9.918 0.204 1.00 0.00 N ATOM 499 CA ARG A 35 5.403 -11.191 0.888 1.00 0.00 C ATOM 500 C ARG A 35 4.970 -11.020 2.330 1.00 0.00 C ATOM 501 O ARG A 35 4.108 -11.720 2.857 1.00 0.00 O ATOM 502 CB ARG A 35 6.856 -11.582 0.876 1.00 0.00 C ATOM 503 CG ARG A 35 7.125 -12.962 0.399 1.00 0.00 C ATOM 504 CD ARG A 35 6.955 -13.019 -1.090 1.00 0.00 C ATOM 505 NE ARG A 35 7.074 -14.366 -1.637 1.00 0.00 N ATOM 506 CZ ARG A 35 7.181 -14.617 -2.938 1.00 0.00 C ATOM 507 NH1 ARG A 35 7.175 -13.611 -3.802 1.00 0.00 N ATOM 508 NH2 ARG A 35 7.296 -15.864 -3.374 1.00 0.00 N ATOM 0 H ARG A 35 6.157 -9.602 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 35 4.784 -11.945 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.401 -10.881 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.254 -11.477 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.137 -13.262 0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.444 -13.664 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.978 -12.614 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.702 -12.378 -1.558 1.00 0.00 H new ATOM 0 HE ARG A 35 7.075 -15.154 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.089 -12.651 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.257 -13.797 -4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.303 -16.638 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.378 -16.049 -4.374 1.00 0.00 H new ATOM 522 N LYS A 36 5.654 -10.088 2.950 1.00 0.00 N ATOM 523 CA LYS A 36 5.331 -9.582 4.273 1.00 0.00 C ATOM 524 C LYS A 36 3.864 -9.176 4.376 1.00 0.00 C ATOM 525 O LYS A 36 3.085 -9.721 5.161 1.00 0.00 O ATOM 526 CB LYS A 36 6.194 -8.349 4.522 1.00 0.00 C ATOM 527 CG LYS A 36 7.647 -8.585 4.220 1.00 0.00 C ATOM 528 CD LYS A 36 8.526 -7.436 4.641 1.00 0.00 C ATOM 529 CE LYS A 36 9.979 -7.695 4.269 1.00 0.00 C ATOM 530 NZ LYS A 36 10.876 -6.574 4.657 1.00 0.00 N ATOM 0 H LYS A 36 6.476 -9.644 2.540 1.00 0.00 H new ATOM 0 HA LYS A 36 5.518 -10.366 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.829 -7.526 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.089 -8.042 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.976 -9.492 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.768 -8.756 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.183 -6.518 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.444 -7.286 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.317 -8.611 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.052 -7.858 3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.726 -6.587 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.377 -5.670 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.153 -6.680 5.654 1.00 0.00 H new ATOM 544 N MET A 37 3.530 -8.200 3.559 1.00 0.00 N ATOM 545 CA MET A 37 2.227 -7.527 3.580 1.00 0.00 C ATOM 546 C MET A 37 1.037 -8.431 3.245 1.00 0.00 C ATOM 547 O MET A 37 -0.071 -8.171 3.706 1.00 0.00 O ATOM 548 CB MET A 37 2.238 -6.329 2.626 1.00 0.00 C ATOM 549 CG MET A 37 2.743 -5.046 3.271 1.00 0.00 C ATOM 550 SD MET A 37 2.486 -3.589 2.234 1.00 0.00 S ATOM 551 CE MET A 37 3.432 -4.022 0.777 1.00 0.00 C ATOM 0 H MET A 37 4.161 -7.837 2.844 1.00 0.00 H new ATOM 0 HA MET A 37 2.084 -7.205 4.612 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.864 -6.565 1.766 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.228 -6.165 2.250 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.236 -4.901 4.225 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.806 -5.148 3.488 1.00 0.00 H new ATOM 0 HE1 MET A 37 4.004 -3.156 0.444 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.115 -4.838 1.016 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.754 -4.336 -0.017 1.00 0.00 H new ATOM 561 N GLN A 38 1.239 -9.473 2.447 1.00 0.00 N ATOM 562 CA GLN A 38 0.131 -10.336 2.039 1.00 0.00 C ATOM 563 C GLN A 38 -0.447 -11.087 3.230 1.00 0.00 C ATOM 564 O GLN A 38 -1.575 -11.570 3.191 1.00 0.00 O ATOM 565 CB GLN A 38 0.566 -11.329 0.967 1.00 0.00 C ATOM 566 CG GLN A 38 1.608 -12.322 1.440 1.00 0.00 C ATOM 567 CD GLN A 38 1.933 -13.388 0.413 1.00 0.00 C ATOM 568 OE1 GLN A 38 1.777 -13.188 -0.789 1.00 0.00 O ATOM 569 NE2 GLN A 38 2.426 -14.523 0.885 1.00 0.00 N ATOM 0 H GLN A 38 2.149 -9.741 2.072 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.641 -9.690 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.309 -11.875 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.963 -10.778 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.521 -11.785 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.254 -12.802 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.540 -14.650 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.692 -15.270 0.243 1.00 0.00 H new ATOM 578 N ALA A 39 0.337 -11.177 4.286 1.00 0.00 N ATOM 579 CA ALA A 39 -0.126 -11.760 5.537 1.00 0.00 C ATOM 580 C ALA A 39 -0.951 -10.747 6.338 1.00 0.00 C ATOM 581 O ALA A 39 -1.083 -10.867 7.557 1.00 0.00 O ATOM 582 CB ALA A 39 1.053 -12.256 6.362 1.00 0.00 C ATOM 0 H ALA A 39 1.304 -10.853 4.306 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.766 -12.610 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.689 -12.689 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.598 -13.013 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.718 -11.421 6.585 1.00 0.00 H new ATOM 588 N SER A 40 -1.491 -9.748 5.646 1.00 0.00 N ATOM 589 CA SER A 40 -2.311 -8.725 6.259 1.00 0.00 C ATOM 590 C SER A 40 -3.519 -8.426 5.376 1.00 0.00 C ATOM 591 O SER A 40 -3.391 -8.169 4.171 1.00 0.00 O ATOM 592 CB SER A 40 -1.501 -7.451 6.470 1.00 0.00 C ATOM 593 OG SER A 40 -0.335 -7.707 7.236 1.00 0.00 O ATOM 0 H SER A 40 -1.368 -9.631 4.640 1.00 0.00 H new ATOM 0 HA SER A 40 -2.654 -9.089 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.220 -7.031 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.115 -6.706 6.975 1.00 0.00 H new ATOM 0 HG SER A 40 0.372 -7.080 6.975 1.00 0.00 H new ATOM 599 N PRO A 41 -4.706 -8.461 5.991 1.00 0.00 N ATOM 600 CA PRO A 41 -5.987 -8.240 5.320 1.00 0.00 C ATOM 601 C PRO A 41 -6.026 -6.938 4.575 1.00 0.00 C ATOM 602 O PRO A 41 -6.682 -6.823 3.545 1.00 0.00 O ATOM 603 CB PRO A 41 -7.009 -8.210 6.455 1.00 0.00 C ATOM 604 CG PRO A 41 -6.231 -8.151 7.710 1.00 0.00 C ATOM 605 CD PRO A 41 -4.877 -8.722 7.416 1.00 0.00 C ATOM 0 HA PRO A 41 -6.177 -9.015 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.667 -7.345 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.643 -9.096 6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.147 -7.123 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.726 -8.719 8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.100 -8.241 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.833 -9.788 7.638 1.00 0.00 H new ATOM 613 N GLU A 42 -5.323 -5.970 5.110 1.00 0.00 N ATOM 614 CA GLU A 42 -5.279 -4.649 4.526 1.00 0.00 C ATOM 615 C GLU A 42 -4.724 -4.673 3.111 1.00 0.00 C ATOM 616 O GLU A 42 -5.365 -4.200 2.170 1.00 0.00 O ATOM 617 CB GLU A 42 -4.440 -3.714 5.375 1.00 0.00 C ATOM 618 CG GLU A 42 -4.981 -3.456 6.768 1.00 0.00 C ATOM 619 CD GLU A 42 -4.898 -4.656 7.685 1.00 0.00 C ATOM 620 OE1 GLU A 42 -3.851 -5.337 7.684 1.00 0.00 O ATOM 621 OE2 GLU A 42 -5.882 -4.921 8.407 1.00 0.00 O ATOM 0 H GLU A 42 -4.767 -6.073 5.959 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.306 -4.287 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.436 -4.129 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.347 -2.760 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.429 -2.629 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.021 -3.140 6.691 1.00 0.00 H new ATOM 628 N TYR A 43 -3.524 -5.212 2.975 1.00 0.00 N ATOM 629 CA TYR A 43 -2.872 -5.320 1.683 1.00 0.00 C ATOM 630 C TYR A 43 -3.727 -6.146 0.725 1.00 0.00 C ATOM 631 O TYR A 43 -3.892 -5.781 -0.437 1.00 0.00 O ATOM 632 CB TYR A 43 -1.473 -5.920 1.865 1.00 0.00 C ATOM 633 CG TYR A 43 -0.860 -6.524 0.612 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.073 -7.859 0.278 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.061 -5.761 -0.230 1.00 0.00 C ATOM 636 CE1 TYR A 43 -0.509 -8.412 -0.857 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.505 -6.307 -1.366 1.00 0.00 C ATOM 638 CZ TYR A 43 0.279 -7.629 -1.676 1.00 0.00 C ATOM 639 OH TYR A 43 0.844 -8.170 -2.810 1.00 0.00 O ATOM 0 H TYR A 43 -2.978 -5.584 3.752 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.760 -4.329 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.807 -5.142 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.523 -6.691 2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.690 -8.474 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.121 -4.723 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.684 -9.449 -1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.123 -5.698 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 43 1.368 -7.484 -3.274 1.00 0.00 H new ATOM 649 N GLN A 44 -4.288 -7.244 1.227 1.00 0.00 N ATOM 650 CA GLN A 44 -5.196 -8.072 0.435 1.00 0.00 C ATOM 651 C GLN A 44 -6.357 -7.244 -0.079 1.00 0.00 C ATOM 652 O GLN A 44 -6.602 -7.172 -1.278 1.00 0.00 O ATOM 653 CB GLN A 44 -5.765 -9.195 1.282 1.00 0.00 C ATOM 654 CG GLN A 44 -4.718 -10.054 1.940 1.00 0.00 C ATOM 655 CD GLN A 44 -4.259 -11.215 1.077 1.00 0.00 C ATOM 656 OE1 GLN A 44 -4.272 -11.031 -0.234 1.00 0.00 O flip ATOM 657 NE2 GLN A 44 -3.894 -12.273 1.586 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.130 -7.581 2.177 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.626 -8.480 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.406 -8.767 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.397 -9.825 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.857 -9.435 2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.115 -10.443 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.897 -12.379 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.588 -13.045 0.994 1.00 0.00 H new ATOM 666 N ASP A 45 -7.063 -6.647 0.868 1.00 0.00 N ATOM 667 CA ASP A 45 -8.237 -5.806 0.598 1.00 0.00 C ATOM 668 C ASP A 45 -8.016 -4.853 -0.576 1.00 0.00 C ATOM 669 O ASP A 45 -8.786 -4.850 -1.536 1.00 0.00 O ATOM 670 CB ASP A 45 -8.603 -5.008 1.854 1.00 0.00 C ATOM 671 CG ASP A 45 -9.897 -4.237 1.712 1.00 0.00 C ATOM 672 OD1 ASP A 45 -10.938 -4.861 1.414 1.00 0.00 O ATOM 673 OD2 ASP A 45 -9.890 -3.011 1.947 1.00 0.00 O ATOM 0 H ASP A 45 -6.841 -6.729 1.860 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.056 -6.471 0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.685 -5.691 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.796 -4.312 2.083 1.00 0.00 H new ATOM 678 N TYR A 46 -6.956 -4.068 -0.510 1.00 0.00 N ATOM 679 CA TYR A 46 -6.676 -3.080 -1.551 1.00 0.00 C ATOM 680 C TYR A 46 -6.273 -3.739 -2.854 1.00 0.00 C ATOM 681 O TYR A 46 -6.636 -3.268 -3.936 1.00 0.00 O ATOM 682 CB TYR A 46 -5.596 -2.095 -1.107 1.00 0.00 C ATOM 683 CG TYR A 46 -5.339 -1.005 -2.125 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.159 0.113 -2.191 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.288 -1.104 -3.029 1.00 0.00 C ATOM 686 CE1 TYR A 46 -5.937 1.104 -3.127 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.062 -0.117 -3.968 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.889 0.985 -4.014 1.00 0.00 C ATOM 689 OH TYR A 46 -4.665 1.973 -4.945 1.00 0.00 O ATOM 0 H TYR A 46 -6.274 -4.090 0.248 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.601 -2.529 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.893 -1.640 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.669 -2.638 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.983 0.209 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.638 -1.966 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.582 1.969 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.241 -0.208 -4.663 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.888 1.736 -5.493 1.00 0.00 H new ATOM 699 N VAL A 47 -5.542 -4.827 -2.760 1.00 0.00 N ATOM 700 CA VAL A 47 -5.104 -5.524 -3.948 1.00 0.00 C ATOM 701 C VAL A 47 -6.276 -6.279 -4.579 1.00 0.00 C ATOM 702 O VAL A 47 -6.255 -6.641 -5.759 1.00 0.00 O ATOM 703 CB VAL A 47 -3.916 -6.467 -3.633 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.591 -7.385 -4.798 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.690 -5.652 -3.252 1.00 0.00 C ATOM 0 H VAL A 47 -5.240 -5.246 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.747 -4.792 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.211 -7.097 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.752 -8.028 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.460 -8.000 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.327 -6.787 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.860 -6.324 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.417 -4.997 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.913 -5.050 -2.371 1.00 0.00 H new ATOM 715 N TYR A 48 -7.303 -6.493 -3.780 1.00 0.00 N ATOM 716 CA TYR A 48 -8.543 -7.072 -4.233 1.00 0.00 C ATOM 717 C TYR A 48 -9.361 -6.037 -5.000 1.00 0.00 C ATOM 718 O TYR A 48 -9.770 -6.270 -6.139 1.00 0.00 O ATOM 719 CB TYR A 48 -9.292 -7.566 -3.005 1.00 0.00 C ATOM 720 CG TYR A 48 -10.781 -7.627 -3.158 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.394 -8.682 -3.803 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.568 -6.619 -2.639 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.767 -8.732 -3.928 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.941 -6.656 -2.758 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.536 -7.717 -3.402 1.00 0.00 C ATOM 726 OH TYR A 48 -14.904 -7.763 -3.521 1.00 0.00 O ATOM 0 H TYR A 48 -7.295 -6.265 -2.786 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.358 -7.903 -4.914 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.926 -8.561 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.054 -6.914 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.792 -9.478 -4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.101 -5.788 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.236 -9.562 -4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.545 -5.859 -2.349 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.296 -6.972 -3.096 1.00 0.00 H new ATOM 736 N LEU A 49 -9.594 -4.901 -4.353 1.00 0.00 N ATOM 737 CA LEU A 49 -10.330 -3.790 -4.958 1.00 0.00 C ATOM 738 C LEU A 49 -9.669 -3.357 -6.247 1.00 0.00 C ATOM 739 O LEU A 49 -10.276 -3.373 -7.318 1.00 0.00 O ATOM 740 CB LEU A 49 -10.361 -2.591 -4.018 1.00 0.00 C ATOM 741 CG LEU A 49 -10.795 -2.899 -2.603 1.00 0.00 C ATOM 742 CD1 LEU A 49 -10.537 -1.708 -1.697 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.263 -3.291 -2.566 1.00 0.00 C ATOM 0 H LEU A 49 -9.281 -4.721 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.345 -4.137 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.366 -2.146 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.034 -1.840 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.207 -3.742 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.855 -1.947 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.472 -1.474 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.098 -0.847 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.556 -3.509 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.869 -2.470 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.419 -4.176 -3.183 1.00 0.00 H new ATOM 755 N GLU A 50 -8.422 -2.955 -6.121 1.00 0.00 N ATOM 756 CA GLU A 50 -7.658 -2.495 -7.266 1.00 0.00 C ATOM 757 C GLU A 50 -6.791 -3.602 -7.846 1.00 0.00 C ATOM 758 O GLU A 50 -7.191 -4.286 -8.789 1.00 0.00 O ATOM 759 CB GLU A 50 -6.802 -1.288 -6.888 1.00 0.00 C ATOM 760 CG GLU A 50 -7.621 -0.035 -6.667 1.00 0.00 C ATOM 761 CD GLU A 50 -8.228 0.484 -7.954 1.00 0.00 C ATOM 762 OE1 GLU A 50 -9.154 -0.160 -8.484 1.00 0.00 O ATOM 763 OE2 GLU A 50 -7.762 1.521 -8.460 1.00 0.00 O ATOM 0 H GLU A 50 -7.913 -2.937 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.369 -2.196 -8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.242 -1.515 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.072 -1.105 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.415 -0.244 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.990 0.737 -6.227 1.00 0.00 H new ATOM 770 N GLY A 51 -5.614 -3.784 -7.277 1.00 0.00 N ATOM 771 CA GLY A 51 -4.699 -4.779 -7.787 1.00 0.00 C ATOM 772 C GLY A 51 -3.314 -4.619 -7.212 1.00 0.00 C ATOM 773 O GLY A 51 -3.045 -3.657 -6.492 1.00 0.00 O ATOM 0 H GLY A 51 -5.275 -3.260 -6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.077 -5.774 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.651 -4.705 -8.873 1.00 0.00 H new ATOM 777 N THR A 52 -2.435 -5.551 -7.538 1.00 0.00 N ATOM 778 CA THR A 52 -1.085 -5.552 -7.021 1.00 0.00 C ATOM 779 C THR A 52 -0.249 -4.456 -7.673 1.00 0.00 C ATOM 780 O THR A 52 0.622 -3.867 -7.041 1.00 0.00 O ATOM 781 CB THR A 52 -0.426 -6.918 -7.278 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.339 -7.972 -6.934 1.00 0.00 O ATOM 783 CG2 THR A 52 0.845 -7.064 -6.469 1.00 0.00 C ATOM 0 H THR A 52 -2.641 -6.326 -8.168 1.00 0.00 H new ATOM 0 HA THR A 52 -1.133 -5.362 -5.949 1.00 0.00 H new ATOM 0 HB THR A 52 -0.174 -6.983 -8.336 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.915 -8.840 -7.101 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.293 -8.038 -6.667 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.547 -6.278 -6.749 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.612 -6.981 -5.407 1.00 0.00 H new ATOM 791 N GLN A 53 -0.535 -4.166 -8.935 1.00 0.00 N ATOM 792 CA GLN A 53 0.256 -3.217 -9.691 1.00 0.00 C ATOM 793 C GLN A 53 -0.063 -1.785 -9.281 1.00 0.00 C ATOM 794 O GLN A 53 0.831 -0.946 -9.183 1.00 0.00 O ATOM 795 CB GLN A 53 0.021 -3.436 -11.174 1.00 0.00 C ATOM 796 CG GLN A 53 0.254 -4.873 -11.576 1.00 0.00 C ATOM 797 CD GLN A 53 1.156 -5.027 -12.780 1.00 0.00 C ATOM 798 OE1 GLN A 53 2.048 -4.212 -13.016 1.00 0.00 O ATOM 799 NE2 GLN A 53 0.934 -6.083 -13.542 1.00 0.00 N ATOM 0 H GLN A 53 -1.311 -4.577 -9.453 1.00 0.00 H new ATOM 0 HA GLN A 53 1.312 -3.380 -9.475 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.000 -3.150 -11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.684 -2.787 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.691 -5.411 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.706 -5.342 -11.790 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.183 -6.732 -13.308 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.514 -6.249 -14.365 1.00 0.00 H new ATOM 808 N LYS A 54 -1.337 -1.510 -9.028 1.00 0.00 N ATOM 809 CA LYS A 54 -1.747 -0.212 -8.507 1.00 0.00 C ATOM 810 C LYS A 54 -1.232 -0.013 -7.094 1.00 0.00 C ATOM 811 O LYS A 54 -0.802 1.075 -6.719 1.00 0.00 O ATOM 812 CB LYS A 54 -3.236 -0.081 -8.536 1.00 0.00 C ATOM 813 CG LYS A 54 -3.781 -0.095 -9.926 1.00 0.00 C ATOM 814 CD LYS A 54 -5.164 0.495 -9.954 1.00 0.00 C ATOM 815 CE LYS A 54 -5.940 0.068 -11.188 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.315 0.635 -11.201 1.00 0.00 N ATOM 0 H LYS A 54 -2.103 -2.167 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.316 0.560 -9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.681 -0.896 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.526 0.847 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.124 0.471 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.807 -1.118 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.707 0.188 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.095 1.582 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.406 0.390 -12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.995 -1.020 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.003 -0.127 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.513 1.085 -10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.391 1.343 -11.959 1.00 0.00 H new ATOM 830 N ALA A 55 -1.284 -1.081 -6.315 1.00 0.00 N ATOM 831 CA ALA A 55 -0.740 -1.081 -4.960 1.00 0.00 C ATOM 832 C ALA A 55 0.775 -0.925 -4.989 1.00 0.00 C ATOM 833 O ALA A 55 1.368 -0.387 -4.055 1.00 0.00 O ATOM 834 CB ALA A 55 -1.127 -2.365 -4.250 1.00 0.00 C ATOM 0 H ALA A 55 -1.701 -1.968 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.158 -0.235 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.718 -2.359 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.213 -2.441 -4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.728 -3.218 -4.798 1.00 0.00 H new ATOM 840 N LYS A 56 1.399 -1.396 -6.063 1.00 0.00 N ATOM 841 CA LYS A 56 2.808 -1.223 -6.260 1.00 0.00 C ATOM 842 C LYS A 56 3.097 0.246 -6.498 1.00 0.00 C ATOM 843 O LYS A 56 3.915 0.838 -5.813 1.00 0.00 O ATOM 844 CB LYS A 56 3.259 -2.071 -7.445 1.00 0.00 C ATOM 845 CG LYS A 56 4.751 -2.057 -7.653 1.00 0.00 C ATOM 846 CD LYS A 56 5.202 -3.096 -8.671 1.00 0.00 C ATOM 847 CE LYS A 56 6.715 -3.102 -8.851 1.00 0.00 C ATOM 848 NZ LYS A 56 7.155 -4.176 -9.782 1.00 0.00 N ATOM 0 H LYS A 56 0.931 -1.906 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 56 3.359 -1.547 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.930 -3.099 -7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.769 -1.709 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.060 -1.066 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.250 -2.243 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.871 -4.084 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.724 -2.895 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.040 -2.134 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.196 -3.240 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.190 -4.149 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.867 -5.102 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.716 -4.030 -10.713 1.00 0.00 H new ATOM 862 N LYS A 57 2.397 0.830 -7.459 1.00 0.00 N ATOM 863 CA LYS A 57 2.451 2.248 -7.707 1.00 0.00 C ATOM 864 C LYS A 57 2.187 3.061 -6.432 1.00 0.00 C ATOM 865 O LYS A 57 2.797 4.108 -6.218 1.00 0.00 O ATOM 866 CB LYS A 57 1.407 2.559 -8.762 1.00 0.00 C ATOM 867 CG LYS A 57 1.726 1.956 -10.112 1.00 0.00 C ATOM 868 CD LYS A 57 3.034 2.491 -10.651 1.00 0.00 C ATOM 869 CE LYS A 57 3.357 1.881 -11.984 1.00 0.00 C ATOM 870 NZ LYS A 57 4.493 2.571 -12.650 1.00 0.00 N ATOM 0 H LYS A 57 1.774 0.323 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 57 3.448 2.525 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.439 2.189 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.316 3.640 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.781 0.871 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.922 2.179 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.975 3.575 -10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.837 2.277 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.600 0.827 -11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.478 1.927 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.684 2.119 -13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.252 3.571 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.339 2.506 -12.049 1.00 0.00 H new ATOM 884 N LEU A 58 1.270 2.567 -5.602 1.00 0.00 N ATOM 885 CA LEU A 58 0.956 3.178 -4.307 1.00 0.00 C ATOM 886 C LEU A 58 2.148 3.030 -3.357 1.00 0.00 C ATOM 887 O LEU A 58 2.501 3.964 -2.631 1.00 0.00 O ATOM 888 CB LEU A 58 -0.300 2.504 -3.726 1.00 0.00 C ATOM 889 CG LEU A 58 -0.890 3.107 -2.452 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.683 4.612 -2.383 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.372 2.800 -2.390 1.00 0.00 C ATOM 0 H LEU A 58 0.722 1.731 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 58 0.758 4.242 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.074 2.513 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.061 1.459 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.372 2.661 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.118 4.997 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.384 4.834 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.166 5.085 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.795 3.229 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.869 3.229 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.520 1.720 -2.384 1.00 0.00 H new ATOM 903 N PHE A 59 2.760 1.854 -3.361 1.00 0.00 N ATOM 904 CA PHE A 59 4.023 1.644 -2.663 1.00 0.00 C ATOM 905 C PHE A 59 5.046 2.675 -3.135 1.00 0.00 C ATOM 906 O PHE A 59 5.648 3.369 -2.325 1.00 0.00 O ATOM 907 CB PHE A 59 4.532 0.208 -2.899 1.00 0.00 C ATOM 908 CG PHE A 59 5.955 -0.041 -2.463 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.287 -0.050 -1.118 1.00 0.00 C ATOM 910 CD2 PHE A 59 6.960 -0.276 -3.399 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.588 -0.285 -0.714 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.260 -0.509 -2.994 1.00 0.00 C ATOM 913 CZ PHE A 59 8.574 -0.514 -1.652 1.00 0.00 C ATOM 0 H PHE A 59 2.402 1.028 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 59 3.870 1.772 -1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.878 -0.485 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.447 -0.022 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.521 0.128 -0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.720 -0.276 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.833 -0.289 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.031 -0.687 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.590 -0.697 -1.335 1.00 0.00 H new ATOM 923 N LEU A 60 5.191 2.790 -4.454 1.00 0.00 N ATOM 924 CA LEU A 60 6.107 3.752 -5.073 1.00 0.00 C ATOM 925 C LEU A 60 5.852 5.179 -4.597 1.00 0.00 C ATOM 926 O LEU A 60 6.765 5.856 -4.121 1.00 0.00 O ATOM 927 CB LEU A 60 5.967 3.723 -6.595 1.00 0.00 C ATOM 928 CG LEU A 60 6.831 2.729 -7.349 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.304 3.023 -7.138 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.530 1.296 -6.964 1.00 0.00 C ATOM 0 H LEU A 60 4.677 2.220 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 60 7.113 3.456 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.924 3.515 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.189 4.720 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 60 6.590 2.845 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.902 2.297 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.530 4.027 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.540 2.957 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.174 0.624 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.712 1.160 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.487 1.071 -7.186 1.00 0.00 H new ATOM 942 N GLN A 61 4.622 5.645 -4.761 1.00 0.00 N ATOM 943 CA GLN A 61 4.274 7.011 -4.375 1.00 0.00 C ATOM 944 C GLN A 61 4.489 7.259 -2.882 1.00 0.00 C ATOM 945 O GLN A 61 4.913 8.346 -2.486 1.00 0.00 O ATOM 946 CB GLN A 61 2.846 7.376 -4.790 1.00 0.00 C ATOM 947 CG GLN A 61 1.791 6.403 -4.353 1.00 0.00 C ATOM 948 CD GLN A 61 0.415 6.821 -4.804 1.00 0.00 C ATOM 949 OE1 GLN A 61 -0.037 6.456 -5.890 1.00 0.00 O ATOM 950 NE2 GLN A 61 -0.256 7.602 -3.981 1.00 0.00 N ATOM 0 H GLN A 61 3.852 5.105 -5.155 1.00 0.00 H new ATOM 0 HA GLN A 61 4.955 7.667 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.605 8.358 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.810 7.464 -5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.020 5.416 -4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.806 6.316 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.157 7.880 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.189 7.928 -4.234 1.00 0.00 H new ATOM 959 N HIS A 62 4.216 6.260 -2.051 1.00 0.00 N ATOM 960 CA HIS A 62 4.501 6.385 -0.625 1.00 0.00 C ATOM 961 C HIS A 62 5.994 6.422 -0.404 1.00 0.00 C ATOM 962 O HIS A 62 6.472 7.170 0.439 1.00 0.00 O ATOM 963 CB HIS A 62 3.914 5.228 0.186 1.00 0.00 C ATOM 964 CG HIS A 62 3.898 5.512 1.635 1.00 0.00 C ATOM 965 ND1 HIS A 62 4.713 4.875 2.543 1.00 0.00 N ATOM 966 CD2 HIS A 62 3.157 6.396 2.340 1.00 0.00 C ATOM 967 CE1 HIS A 62 4.471 5.357 3.730 1.00 0.00 C ATOM 968 NE2 HIS A 62 3.537 6.280 3.640 1.00 0.00 N ATOM 0 H HIS A 62 3.805 5.370 -2.332 1.00 0.00 H new ATOM 0 HA HIS A 62 4.037 7.311 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.898 5.027 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.496 4.325 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.407 7.066 1.946 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.959 5.048 4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.160 6.820 4.419 1.00 0.00 H new ATOM 977 N ILE A 63 6.715 5.595 -1.146 1.00 0.00 N ATOM 978 CA ILE A 63 8.168 5.627 -1.131 1.00 0.00 C ATOM 979 C ILE A 63 8.652 7.051 -1.300 1.00 0.00 C ATOM 980 O ILE A 63 9.436 7.540 -0.504 1.00 0.00 O ATOM 981 CB ILE A 63 8.775 4.755 -2.238 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.533 3.289 -1.928 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.261 5.037 -2.410 1.00 0.00 C ATOM 984 CD1 ILE A 63 8.891 2.888 -0.522 1.00 0.00 C ATOM 0 H ILE A 63 6.315 4.892 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 63 8.492 5.228 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 63 8.286 5.001 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.481 3.061 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.110 2.682 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.662 4.404 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.404 6.084 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.782 4.825 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.688 1.826 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.949 3.081 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.295 3.466 0.184 1.00 0.00 H new ATOM 996 N HIS A 64 8.105 7.712 -2.312 1.00 0.00 N ATOM 997 CA HIS A 64 8.419 9.097 -2.626 1.00 0.00 C ATOM 998 C HIS A 64 8.232 9.947 -1.395 1.00 0.00 C ATOM 999 O HIS A 64 9.115 10.702 -1.004 1.00 0.00 O ATOM 1000 CB HIS A 64 7.487 9.562 -3.755 1.00 0.00 C ATOM 1001 CG HIS A 64 7.474 11.019 -4.001 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.228 11.869 -2.994 1.00 0.00 N ATOM 1003 CD2 HIS A 64 7.670 11.768 -5.109 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.272 13.112 -3.433 1.00 0.00 C ATOM 1005 NE2 HIS A 64 7.539 13.079 -4.726 1.00 0.00 N ATOM 0 H HIS A 64 7.422 7.295 -2.945 1.00 0.00 H new ATOM 0 HA HIS A 64 9.455 9.191 -2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.778 9.057 -4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.472 9.240 -3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.887 11.405 -6.103 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.117 14.001 -2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.632 13.891 -5.337 1.00 0.00 H new ATOM 1014 N ARG A 65 7.054 9.852 -0.835 1.00 0.00 N ATOM 1015 CA ARG A 65 6.689 10.568 0.353 1.00 0.00 C ATOM 1016 C ARG A 65 7.664 10.326 1.500 1.00 0.00 C ATOM 1017 O ARG A 65 8.097 11.249 2.182 1.00 0.00 O ATOM 1018 CB ARG A 65 5.327 10.109 0.670 1.00 0.00 C ATOM 1019 CG ARG A 65 4.368 10.597 -0.343 1.00 0.00 C ATOM 1020 CD ARG A 65 3.009 10.059 -0.076 1.00 0.00 C ATOM 1021 NE ARG A 65 2.001 10.621 -0.972 1.00 0.00 N ATOM 1022 CZ ARG A 65 1.006 11.426 -0.583 1.00 0.00 C ATOM 1023 NH1 ARG A 65 0.957 11.890 0.660 1.00 0.00 N ATOM 1024 NH2 ARG A 65 0.089 11.815 -1.460 1.00 0.00 N ATOM 0 H ARG A 65 6.308 9.261 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 65 6.724 11.646 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.303 9.020 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.036 10.468 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.342 11.687 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.696 10.295 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.023 8.974 -0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.733 10.273 0.957 1.00 0.00 H new ATOM 0 HE ARG A 65 2.060 10.383 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.683 11.633 1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.194 12.503 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.144 11.500 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.671 12.429 -1.165 1.00 0.00 H new ATOM 1038 N LEU A 66 8.004 9.069 1.669 1.00 0.00 N ATOM 1039 CA LEU A 66 8.990 8.621 2.659 1.00 0.00 C ATOM 1040 C LEU A 66 10.328 9.307 2.481 1.00 0.00 C ATOM 1041 O LEU A 66 11.014 9.637 3.446 1.00 0.00 O ATOM 1042 CB LEU A 66 9.159 7.119 2.513 1.00 0.00 C ATOM 1043 CG LEU A 66 7.912 6.350 2.826 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.102 4.878 2.546 1.00 0.00 C ATOM 1045 CD2 LEU A 66 7.520 6.579 4.262 1.00 0.00 C ATOM 0 H LEU A 66 7.604 8.308 1.120 1.00 0.00 H new ATOM 0 HA LEU A 66 8.628 8.879 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.471 6.893 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.959 6.784 3.173 1.00 0.00 H new ATOM 0 HG LEU A 66 7.108 6.706 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.183 4.341 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.346 4.736 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.915 4.493 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.613 6.018 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.324 6.244 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.339 7.641 4.425 1.00 0.00 H new ATOM 1057 N LYS A 67 10.701 9.470 1.234 1.00 0.00 N ATOM 1058 CA LYS A 67 11.943 10.168 0.886 1.00 0.00 C ATOM 1059 C LYS A 67 11.773 11.664 1.091 1.00 0.00 C ATOM 1060 O LYS A 67 12.542 12.300 1.807 1.00 0.00 O ATOM 1061 CB LYS A 67 12.336 9.897 -0.579 1.00 0.00 C ATOM 1062 CG LYS A 67 11.881 8.560 -1.075 1.00 0.00 C ATOM 1063 CD LYS A 67 12.486 8.174 -2.397 1.00 0.00 C ATOM 1064 CE LYS A 67 11.636 8.693 -3.533 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.363 8.728 -4.832 1.00 0.00 N ATOM 0 H LYS A 67 10.169 9.132 0.432 1.00 0.00 H new ATOM 0 HA LYS A 67 12.734 9.794 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.911 10.676 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.420 9.963 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.132 7.801 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.795 8.566 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.495 8.578 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.571 7.089 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.751 8.065 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.288 9.697 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.731 9.092 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.193 9.349 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.673 7.767 -5.082 1.00 0.00 H new ATOM 1079 N HIS A 68 10.729 12.205 0.484 1.00 0.00 N ATOM 1080 CA HIS A 68 10.527 13.626 0.417 1.00 0.00 C ATOM 1081 C HIS A 68 9.085 13.955 0.066 1.00 0.00 C ATOM 1082 O HIS A 68 8.715 14.013 -1.101 1.00 0.00 O ATOM 1083 CB HIS A 68 11.493 14.253 -0.590 1.00 0.00 C ATOM 1084 CG HIS A 68 11.517 13.623 -1.949 1.00 0.00 C ATOM 1085 ND1 HIS A 68 10.700 12.583 -2.291 1.00 0.00 N ATOM 1086 CD2 HIS A 68 12.284 13.874 -3.036 1.00 0.00 C ATOM 1087 CE1 HIS A 68 10.958 12.206 -3.528 1.00 0.00 C ATOM 1088 NE2 HIS A 68 11.916 12.973 -4.006 1.00 0.00 N ATOM 0 H HIS A 68 10.000 11.660 0.025 1.00 0.00 H new ATOM 0 HA HIS A 68 10.733 14.049 1.400 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.237 15.307 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.499 14.212 -0.173 1.00 0.00 H new ATOM 0 HD1 HIS A 68 9.998 12.162 -1.683 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.042 14.638 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.467 11.404 -4.059 1.00 0.00 H new ATOM 1097 N GLU A 69 8.264 14.125 1.074 1.00 0.00 N ATOM 1098 CA GLU A 69 6.892 14.519 0.844 1.00 0.00 C ATOM 1099 C GLU A 69 6.739 16.020 1.056 1.00 0.00 C ATOM 1100 O GLU A 69 6.992 16.780 0.100 1.00 0.00 O ATOM 1101 CB GLU A 69 5.946 13.765 1.758 1.00 0.00 C ATOM 1102 CG GLU A 69 4.577 13.570 1.159 1.00 0.00 C ATOM 1103 CD GLU A 69 3.490 13.397 2.202 1.00 0.00 C ATOM 1104 OE1 GLU A 69 3.080 14.409 2.814 1.00 0.00 O ATOM 1105 OE2 GLU A 69 3.041 12.251 2.412 1.00 0.00 O ATOM 1106 OXT GLU A 69 6.380 16.435 2.177 1.00 0.00 O ATOM 0 H GLU A 69 8.517 13.998 2.054 1.00 0.00 H new ATOM 0 HA GLU A 69 6.635 14.273 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.376 12.791 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.851 14.306 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.336 14.428 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.592 12.694 0.510 1.00 0.00 H new TER 1113 GLU A 69