USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 89 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 90 ZNZN :(H bumps) USER MOD Set 1.1: A 25 ASN : amide:sc= 1.25 K(o=2.2,f=-7!) USER MOD Set 1.2: A 27 ASN : amide:sc= 0.987 K(o=2.2,f=0.38) USER MOD Set 2.1: A 16 SER OG : rot 80:sc= 1.02 USER MOD Set 2.2: A 32 SER OG : rot -77:sc= 1 USER MOD Single : A 1 SER N :NH3+ 138:sc= 0.14 (180deg=-0.283) USER MOD Single : A 1 SER OG : rot 180:sc= 0.497 USER MOD Single : A 3 GLN : amide:sc= 0.957 K(o=0.96,f=-7.4!) USER MOD Single : A 5 SER OG : rot 83:sc= 1.09 USER MOD Single : A 9 SER OG : rot 73:sc= 1.7 USER MOD Single : A 11 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.94 K(o=0.94,f=-0.1) USER MOD Single : A 21 CYS SG : rot 75:sc= 0.0446 USER MOD Single : A 22 GLN : amide:sc= -0.085 K(o=-0.085,f=-5.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.11 USER MOD Single : A 34 GLN : amide:sc= 1.18 K(o=1.2,f=-0.9) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0863) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0.888 (180deg=0.801) USER MOD Single : A 41 GLN : amide:sc= 0.0394 X(o=0.039,f=0) USER MOD Single : A 43 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0304) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.265 (180deg=-0.732) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.365 K(o=0.37,f=-4.6!) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0.956) USER MOD Single : A 59 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 64 CYS SG : rot -124:sc= 0.828 USER MOD Single : A 65 CYS SG : rot 180:sc=-0.00494 USER MOD Single : A 66 TYR OH : rot -53:sc= 0.45 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc=-0.00604 X(o=-0.006,f=-0.0075) USER MOD Single : A 72 GLN : amide:sc= 0.748 K(o=0.75,f=-0.5) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0.408 (180deg=0.283) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 1.46 (180deg=1.42) USER MOD Single : A 86 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-0.72) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.731 -7.994 21.708 1.00 0.00 N ATOM 2 CA SER A 1 3.824 -8.840 21.247 1.00 0.00 C ATOM 3 C SER A 1 4.280 -8.309 19.885 1.00 0.00 C ATOM 4 O SER A 1 3.453 -7.751 19.163 1.00 0.00 O ATOM 5 CB SER A 1 3.360 -10.300 21.149 1.00 0.00 C ATOM 6 OG SER A 1 2.424 -10.473 20.098 1.00 0.00 O ATOM 0 H1 SER A 1 1.986 -8.587 22.126 1.00 0.00 H new ATOM 0 H2 SER A 1 3.086 -7.328 22.423 1.00 0.00 H new ATOM 0 H3 SER A 1 2.340 -7.463 20.904 1.00 0.00 H new ATOM 0 HA SER A 1 4.657 -8.814 21.950 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.221 -10.947 20.982 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.910 -10.605 22.094 1.00 0.00 H new ATOM 0 HG SER A 1 2.147 -11.412 20.058 1.00 0.00 H new ATOM 12 N PRO A 2 5.554 -8.472 19.494 1.00 0.00 N ATOM 13 CA PRO A 2 6.026 -8.063 18.178 1.00 0.00 C ATOM 14 C PRO A 2 5.078 -8.554 17.076 1.00 0.00 C ATOM 15 O PRO A 2 4.665 -7.789 16.208 1.00 0.00 O ATOM 16 CB PRO A 2 7.422 -8.680 18.038 1.00 0.00 C ATOM 17 CG PRO A 2 7.905 -8.791 19.485 1.00 0.00 C ATOM 18 CD PRO A 2 6.623 -9.070 20.274 1.00 0.00 C ATOM 0 HA PRO A 2 6.060 -6.978 18.077 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.384 -9.654 17.551 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.082 -8.051 17.441 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.632 -9.595 19.604 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.388 -7.872 19.818 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.465 -10.141 20.401 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.673 -8.634 21.272 1.00 0.00 H new ATOM 26 N GLN A 3 4.716 -9.839 17.145 1.00 0.00 N ATOM 27 CA GLN A 3 3.818 -10.497 16.209 1.00 0.00 C ATOM 28 C GLN A 3 2.453 -9.796 16.148 1.00 0.00 C ATOM 29 O GLN A 3 1.981 -9.447 15.061 1.00 0.00 O ATOM 30 CB GLN A 3 3.669 -11.973 16.621 1.00 0.00 C ATOM 31 CG GLN A 3 4.988 -12.764 16.548 1.00 0.00 C ATOM 32 CD GLN A 3 5.564 -12.870 15.137 1.00 0.00 C ATOM 33 OE1 GLN A 3 4.855 -12.729 14.144 1.00 0.00 O ATOM 34 NE2 GLN A 3 6.865 -13.125 15.027 1.00 0.00 N ATOM 0 H GLN A 3 5.053 -10.463 17.878 1.00 0.00 H new ATOM 0 HA GLN A 3 4.242 -10.440 15.206 1.00 0.00 H new ATOM 0 HB2 GLN A 3 3.281 -12.021 17.638 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.932 -12.450 15.976 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.723 -12.287 17.196 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.821 -13.768 16.939 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.435 -13.238 15.865 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.292 -13.207 14.105 1.00 0.00 H new ATOM 43 N GLU A 4 1.817 -9.598 17.307 1.00 0.00 N ATOM 44 CA GLU A 4 0.518 -8.947 17.392 1.00 0.00 C ATOM 45 C GLU A 4 0.620 -7.525 16.838 1.00 0.00 C ATOM 46 O GLU A 4 -0.122 -7.140 15.939 1.00 0.00 O ATOM 47 CB GLU A 4 0.058 -8.955 18.855 1.00 0.00 C ATOM 48 CG GLU A 4 -1.303 -8.280 19.065 1.00 0.00 C ATOM 49 CD GLU A 4 -1.717 -8.312 20.533 1.00 0.00 C ATOM 50 OE1 GLU A 4 -0.819 -8.095 21.379 1.00 0.00 O ATOM 51 OE2 GLU A 4 -2.917 -8.546 20.784 1.00 0.00 O ATOM 0 H GLU A 4 2.194 -9.887 18.210 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.220 -9.482 16.795 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.003 -9.985 19.206 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.805 -8.449 19.467 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.256 -7.247 18.721 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.058 -8.783 18.461 1.00 0.00 H new ATOM 58 N SER A 5 1.554 -6.751 17.387 1.00 0.00 N ATOM 59 CA SER A 5 1.804 -5.373 17.004 1.00 0.00 C ATOM 60 C SER A 5 2.006 -5.263 15.494 1.00 0.00 C ATOM 61 O SER A 5 1.439 -4.375 14.860 1.00 0.00 O ATOM 62 CB SER A 5 3.002 -4.834 17.789 1.00 0.00 C ATOM 63 OG SER A 5 2.805 -5.079 19.169 1.00 0.00 O ATOM 0 H SER A 5 2.171 -7.079 18.130 1.00 0.00 H new ATOM 0 HA SER A 5 0.937 -4.760 17.251 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.920 -5.315 17.450 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.117 -3.765 17.610 1.00 0.00 H new ATOM 0 HG SER A 5 3.086 -5.993 19.382 1.00 0.00 H new ATOM 69 N ARG A 6 2.790 -6.172 14.908 1.00 0.00 N ATOM 70 CA ARG A 6 3.015 -6.198 13.474 1.00 0.00 C ATOM 71 C ARG A 6 1.684 -6.411 12.750 1.00 0.00 C ATOM 72 O ARG A 6 1.327 -5.619 11.879 1.00 0.00 O ATOM 73 CB ARG A 6 4.055 -7.274 13.127 1.00 0.00 C ATOM 74 CG ARG A 6 4.336 -7.419 11.623 1.00 0.00 C ATOM 75 CD ARG A 6 4.616 -6.090 10.908 1.00 0.00 C ATOM 76 NE ARG A 6 5.636 -5.296 11.604 1.00 0.00 N ATOM 77 CZ ARG A 6 5.906 -4.008 11.343 1.00 0.00 C ATOM 78 NH1 ARG A 6 5.280 -3.375 10.345 1.00 0.00 N ATOM 79 NH2 ARG A 6 6.808 -3.361 12.085 1.00 0.00 N ATOM 0 H ARG A 6 3.282 -6.905 15.419 1.00 0.00 H new ATOM 0 HA ARG A 6 3.419 -5.243 13.138 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.989 -7.039 13.638 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.712 -8.233 13.515 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.191 -8.080 11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.481 -7.901 11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.945 -6.289 9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.693 -5.514 10.838 1.00 0.00 H new ATOM 0 HE ARG A 6 6.177 -5.755 12.337 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.593 -3.872 9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.489 -2.396 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.286 -3.846 12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.019 -2.382 11.893 1.00 0.00 H new ATOM 93 N ARG A 7 0.929 -7.453 13.112 1.00 0.00 N ATOM 94 CA ARG A 7 -0.364 -7.731 12.488 1.00 0.00 C ATOM 95 C ARG A 7 -1.313 -6.534 12.590 1.00 0.00 C ATOM 96 O ARG A 7 -2.034 -6.223 11.635 1.00 0.00 O ATOM 97 CB ARG A 7 -0.982 -8.991 13.100 1.00 0.00 C ATOM 98 CG ARG A 7 -0.248 -10.225 12.569 1.00 0.00 C ATOM 99 CD ARG A 7 -0.462 -11.425 13.496 1.00 0.00 C ATOM 100 NE ARG A 7 0.279 -12.603 13.029 1.00 0.00 N ATOM 101 CZ ARG A 7 1.611 -12.744 13.092 1.00 0.00 C ATOM 102 NH1 ARG A 7 2.385 -11.758 13.552 1.00 0.00 N ATOM 103 NH2 ARG A 7 2.184 -13.885 12.699 1.00 0.00 N ATOM 0 H ARG A 7 1.195 -8.119 13.837 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.198 -7.908 11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.913 -8.952 14.187 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.041 -9.048 12.850 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.607 -10.464 11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.817 -10.011 12.483 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.141 -11.168 14.506 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.525 -11.660 13.550 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.259 -13.371 12.627 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.965 -10.882 13.862 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.397 -11.881 13.594 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.608 -14.651 12.350 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.197 -13.990 12.748 1.00 0.00 H new ATOM 117 N LEU A 8 -1.330 -5.863 13.744 1.00 0.00 N ATOM 118 CA LEU A 8 -2.145 -4.675 13.953 1.00 0.00 C ATOM 119 C LEU A 8 -1.652 -3.565 13.023 1.00 0.00 C ATOM 120 O LEU A 8 -2.452 -2.927 12.347 1.00 0.00 O ATOM 121 CB LEU A 8 -2.098 -4.227 15.421 1.00 0.00 C ATOM 122 CG LEU A 8 -2.828 -5.178 16.384 1.00 0.00 C ATOM 123 CD1 LEU A 8 -2.510 -4.767 17.826 1.00 0.00 C ATOM 124 CD2 LEU A 8 -4.350 -5.145 16.186 1.00 0.00 C ATOM 0 H LEU A 8 -0.777 -6.132 14.558 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.185 -4.904 13.720 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.057 -4.140 15.731 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.539 -3.234 15.502 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.483 -6.191 16.177 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.023 -5.436 18.517 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.435 -4.829 17.993 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.845 -3.744 17.995 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.823 -5.832 16.888 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.718 -4.135 16.364 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.591 -5.445 15.166 1.00 0.00 H new ATOM 136 N SER A 9 -0.337 -3.346 12.962 1.00 0.00 N ATOM 137 CA SER A 9 0.247 -2.335 12.092 1.00 0.00 C ATOM 138 C SER A 9 -0.126 -2.593 10.635 1.00 0.00 C ATOM 139 O SER A 9 -0.542 -1.671 9.936 1.00 0.00 O ATOM 140 CB SER A 9 1.757 -2.230 12.319 1.00 0.00 C ATOM 141 OG SER A 9 2.008 -1.942 13.684 1.00 0.00 O ATOM 0 H SER A 9 0.347 -3.864 13.514 1.00 0.00 H new ATOM 0 HA SER A 9 -0.171 -1.361 12.348 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.244 -3.163 12.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.178 -1.448 11.687 1.00 0.00 H new ATOM 0 HG SER A 9 1.838 -2.742 14.224 1.00 0.00 H new ATOM 147 N ILE A 10 -0.028 -3.847 10.187 1.00 0.00 N ATOM 148 CA ILE A 10 -0.442 -4.208 8.842 1.00 0.00 C ATOM 149 C ILE A 10 -1.914 -3.814 8.681 1.00 0.00 C ATOM 150 O ILE A 10 -2.252 -3.116 7.732 1.00 0.00 O ATOM 151 CB ILE A 10 -0.171 -5.695 8.549 1.00 0.00 C ATOM 152 CG1 ILE A 10 1.347 -5.950 8.507 1.00 0.00 C ATOM 153 CG2 ILE A 10 -0.782 -6.081 7.193 1.00 0.00 C ATOM 154 CD1 ILE A 10 1.703 -7.440 8.538 1.00 0.00 C ATOM 0 H ILE A 10 0.335 -4.624 10.740 1.00 0.00 H new ATOM 0 HA ILE A 10 0.146 -3.667 8.101 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.623 -6.297 9.338 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.761 -5.502 7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.818 -5.452 9.355 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.586 -7.134 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.858 -5.910 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.335 -5.473 6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.786 -7.556 8.506 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.317 -7.887 9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.259 -7.938 7.676 1.00 0.00 H new ATOM 166 N GLN A 11 -2.789 -4.211 9.611 1.00 0.00 N ATOM 167 CA GLN A 11 -4.199 -3.839 9.525 1.00 0.00 C ATOM 168 C GLN A 11 -4.386 -2.316 9.434 1.00 0.00 C ATOM 169 O GLN A 11 -5.156 -1.851 8.593 1.00 0.00 O ATOM 170 CB GLN A 11 -4.996 -4.433 10.692 1.00 0.00 C ATOM 171 CG GLN A 11 -5.177 -5.940 10.496 1.00 0.00 C ATOM 172 CD GLN A 11 -5.612 -6.627 11.781 1.00 0.00 C ATOM 173 OE1 GLN A 11 -6.791 -6.871 12.006 1.00 0.00 O ATOM 174 NE2 GLN A 11 -4.647 -6.944 12.635 1.00 0.00 N ATOM 0 H GLN A 11 -2.547 -4.782 10.421 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.592 -4.262 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.477 -4.241 11.631 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.970 -3.948 10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.920 -6.119 9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.241 -6.377 10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.676 -6.724 12.412 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.876 -7.407 13.514 1.00 0.00 H new ATOM 183 N ARG A 12 -3.697 -1.525 10.266 1.00 0.00 N ATOM 184 CA ARG A 12 -3.790 -0.066 10.209 1.00 0.00 C ATOM 185 C ARG A 12 -3.383 0.419 8.814 1.00 0.00 C ATOM 186 O ARG A 12 -4.096 1.207 8.188 1.00 0.00 O ATOM 187 CB ARG A 12 -2.938 0.607 11.296 1.00 0.00 C ATOM 188 CG ARG A 12 -3.481 0.350 12.710 1.00 0.00 C ATOM 189 CD ARG A 12 -2.878 1.320 13.740 1.00 0.00 C ATOM 190 NE ARG A 12 -1.408 1.343 13.704 1.00 0.00 N ATOM 191 CZ ARG A 12 -0.601 0.379 14.170 1.00 0.00 C ATOM 192 NH1 ARG A 12 -1.105 -0.693 14.790 1.00 0.00 N ATOM 193 NH2 ARG A 12 0.719 0.471 13.975 1.00 0.00 N ATOM 0 H ARG A 12 -3.068 -1.875 10.988 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.825 0.218 10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.914 0.239 11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.903 1.681 11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.566 0.452 12.707 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.259 -0.676 13.004 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.258 2.324 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.209 1.035 14.739 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.964 2.162 13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.113 -0.784 14.913 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.481 -1.420 15.140 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.106 1.271 13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.339 -0.259 14.327 1.00 0.00 H new ATOM 207 N CYS A 13 -2.252 -0.078 8.306 1.00 0.00 N ATOM 208 CA CYS A 13 -1.787 0.254 6.965 1.00 0.00 C ATOM 209 C CYS A 13 -2.876 -0.092 5.949 1.00 0.00 C ATOM 210 O CYS A 13 -3.163 0.710 5.065 1.00 0.00 O ATOM 211 CB CYS A 13 -0.465 -0.451 6.640 1.00 0.00 C ATOM 212 SG CYS A 13 0.921 0.493 7.315 1.00 0.00 S ATOM 0 H CYS A 13 -1.639 -0.717 8.812 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.589 1.325 6.914 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.468 -1.458 7.058 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.354 -0.554 5.561 1.00 0.00 H new ATOM 0 HG CYS A 13 2.036 -0.114 7.036 1.00 0.00 H new ATOM 218 N ILE A 14 -3.516 -1.258 6.086 1.00 0.00 N ATOM 219 CA ILE A 14 -4.613 -1.653 5.212 1.00 0.00 C ATOM 220 C ILE A 14 -5.734 -0.619 5.288 1.00 0.00 C ATOM 221 O ILE A 14 -6.257 -0.223 4.250 1.00 0.00 O ATOM 222 CB ILE A 14 -5.112 -3.078 5.517 1.00 0.00 C ATOM 223 CG1 ILE A 14 -4.015 -4.066 5.105 1.00 0.00 C ATOM 224 CG2 ILE A 14 -6.414 -3.365 4.755 1.00 0.00 C ATOM 225 CD1 ILE A 14 -4.281 -5.503 5.528 1.00 0.00 C ATOM 0 H ILE A 14 -3.286 -1.947 6.802 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.244 -1.681 4.187 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.324 -3.181 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.900 -4.033 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.068 -3.741 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.753 -4.376 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.178 -2.649 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.236 -3.274 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.458 -6.138 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.366 -5.553 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.210 -5.849 5.075 1.00 0.00 H new ATOM 237 N GLN A 15 -6.108 -0.162 6.485 1.00 0.00 N ATOM 238 CA GLN A 15 -7.154 0.848 6.586 1.00 0.00 C ATOM 239 C GLN A 15 -6.727 2.094 5.807 1.00 0.00 C ATOM 240 O GLN A 15 -7.513 2.638 5.034 1.00 0.00 O ATOM 241 CB GLN A 15 -7.494 1.196 8.043 1.00 0.00 C ATOM 242 CG GLN A 15 -7.848 0.005 8.947 1.00 0.00 C ATOM 243 CD GLN A 15 -8.578 -1.123 8.225 1.00 0.00 C ATOM 244 OE1 GLN A 15 -9.758 -1.010 7.911 1.00 0.00 O ATOM 245 NE2 GLN A 15 -7.881 -2.220 7.942 1.00 0.00 N ATOM 0 H GLN A 15 -5.712 -0.467 7.374 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.066 0.439 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.644 1.720 8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.333 1.892 8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.932 -0.391 9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.469 0.358 9.770 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.901 -2.286 8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.327 -2.995 7.451 1.00 0.00 H new ATOM 254 N SER A 16 -5.474 2.530 5.979 1.00 0.00 N ATOM 255 CA SER A 16 -4.954 3.678 5.245 1.00 0.00 C ATOM 256 C SER A 16 -5.002 3.432 3.731 1.00 0.00 C ATOM 257 O SER A 16 -5.339 4.341 2.980 1.00 0.00 O ATOM 258 CB SER A 16 -3.535 4.027 5.705 1.00 0.00 C ATOM 259 OG SER A 16 -3.122 5.258 5.134 1.00 0.00 O ATOM 0 H SER A 16 -4.806 2.103 6.620 1.00 0.00 H new ATOM 0 HA SER A 16 -5.594 4.533 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.504 4.094 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.846 3.234 5.415 1.00 0.00 H new ATOM 0 HG SER A 16 -3.511 6.001 5.642 1.00 0.00 H new ATOM 265 N LEU A 17 -4.649 2.227 3.278 1.00 0.00 N ATOM 266 CA LEU A 17 -4.668 1.852 1.868 1.00 0.00 C ATOM 267 C LEU A 17 -6.097 1.961 1.343 1.00 0.00 C ATOM 268 O LEU A 17 -6.355 2.695 0.390 1.00 0.00 O ATOM 269 CB LEU A 17 -4.121 0.428 1.722 1.00 0.00 C ATOM 270 CG LEU A 17 -4.358 -0.219 0.348 1.00 0.00 C ATOM 271 CD1 LEU A 17 -3.379 0.313 -0.702 1.00 0.00 C ATOM 272 CD2 LEU A 17 -4.220 -1.731 0.523 1.00 0.00 C ATOM 0 H LEU A 17 -4.338 1.475 3.893 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.038 2.521 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.049 0.444 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.577 -0.201 2.487 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.355 0.030 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.577 -0.167 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.505 1.391 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.357 0.094 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.382 -2.225 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.220 -1.965 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.959 -2.083 1.242 1.00 0.00 H new ATOM 284 N VAL A 18 -7.021 1.219 1.959 1.00 0.00 N ATOM 285 CA VAL A 18 -8.436 1.223 1.605 1.00 0.00 C ATOM 286 C VAL A 18 -8.931 2.669 1.536 1.00 0.00 C ATOM 287 O VAL A 18 -9.490 3.086 0.518 1.00 0.00 O ATOM 288 CB VAL A 18 -9.236 0.399 2.633 1.00 0.00 C ATOM 289 CG1 VAL A 18 -10.749 0.571 2.435 1.00 0.00 C ATOM 290 CG2 VAL A 18 -8.899 -1.093 2.526 1.00 0.00 C ATOM 0 H VAL A 18 -6.799 0.589 2.730 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.580 0.762 0.628 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.955 0.771 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.283 -0.024 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.014 1.622 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.025 0.237 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.478 -1.650 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.144 -1.451 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.835 -1.240 2.713 1.00 0.00 H new ATOM 300 N HIS A 19 -8.699 3.431 2.613 1.00 0.00 N ATOM 301 CA HIS A 19 -9.059 4.837 2.687 1.00 0.00 C ATOM 302 C HIS A 19 -8.526 5.537 1.443 1.00 0.00 C ATOM 303 O HIS A 19 -9.297 6.111 0.691 1.00 0.00 O ATOM 304 CB HIS A 19 -8.507 5.489 3.973 1.00 0.00 C ATOM 305 CG HIS A 19 -8.615 7.000 3.989 1.00 0.00 C ATOM 306 ND1 HIS A 19 -9.596 7.747 4.601 1.00 0.00 N ATOM 307 CD2 HIS A 19 -7.853 7.865 3.246 1.00 0.00 C ATOM 308 CE1 HIS A 19 -9.444 9.023 4.200 1.00 0.00 C ATOM 309 NE2 HIS A 19 -8.421 9.135 3.336 1.00 0.00 N ATOM 0 H HIS A 19 -8.252 3.078 3.459 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.144 4.934 2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.044 5.087 4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.461 5.208 4.091 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -10.308 7.397 5.242 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.966 7.607 2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.061 9.846 4.529 1.00 0.00 H new ATOM 317 N ALA A 20 -7.210 5.500 1.238 1.00 0.00 N ATOM 318 CA ALA A 20 -6.533 6.164 0.137 1.00 0.00 C ATOM 319 C ALA A 20 -7.112 5.790 -1.225 1.00 0.00 C ATOM 320 O ALA A 20 -7.273 6.654 -2.083 1.00 0.00 O ATOM 321 CB ALA A 20 -5.035 5.887 0.233 1.00 0.00 C ATOM 0 H ALA A 20 -6.573 4.993 1.852 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.699 7.238 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.520 6.382 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.655 6.268 1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.859 4.813 0.177 1.00 0.00 H new ATOM 327 N CYS A 21 -7.436 4.513 -1.421 1.00 0.00 N ATOM 328 CA CYS A 21 -8.008 4.033 -2.673 1.00 0.00 C ATOM 329 C CYS A 21 -9.395 4.642 -2.882 1.00 0.00 C ATOM 330 O CYS A 21 -9.718 5.087 -3.980 1.00 0.00 O ATOM 331 CB CYS A 21 -8.053 2.501 -2.699 1.00 0.00 C ATOM 332 SG CYS A 21 -6.369 1.840 -2.779 1.00 0.00 S ATOM 0 H CYS A 21 -7.309 3.786 -0.717 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.371 4.351 -3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.558 2.128 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.629 2.159 -3.559 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.798 1.965 -1.618 1.00 0.00 H new ATOM 338 N GLN A 22 -10.220 4.676 -1.830 1.00 0.00 N ATOM 339 CA GLN A 22 -11.555 5.266 -1.903 1.00 0.00 C ATOM 340 C GLN A 22 -11.479 6.801 -1.994 1.00 0.00 C ATOM 341 O GLN A 22 -12.351 7.456 -2.568 1.00 0.00 O ATOM 342 CB GLN A 22 -12.366 4.855 -0.667 1.00 0.00 C ATOM 343 CG GLN A 22 -12.688 3.353 -0.646 1.00 0.00 C ATOM 344 CD GLN A 22 -13.910 2.968 -1.481 1.00 0.00 C ATOM 345 OE1 GLN A 22 -14.387 3.723 -2.323 1.00 0.00 O ATOM 346 NE2 GLN A 22 -14.439 1.768 -1.256 1.00 0.00 N ATOM 0 H GLN A 22 -9.981 4.298 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.046 4.898 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.808 5.116 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.296 5.423 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.822 2.801 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.852 3.041 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.029 1.154 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.254 1.462 -1.787 1.00 0.00 H new ATOM 355 N CYS A 23 -10.461 7.385 -1.366 1.00 0.00 N ATOM 356 CA CYS A 23 -10.232 8.805 -1.244 1.00 0.00 C ATOM 357 C CYS A 23 -9.758 9.406 -2.564 1.00 0.00 C ATOM 358 O CYS A 23 -8.592 9.763 -2.716 1.00 0.00 O ATOM 359 CB CYS A 23 -9.226 9.054 -0.116 1.00 0.00 C ATOM 360 SG CYS A 23 -8.902 10.791 0.241 1.00 0.00 S ATOM 0 H CYS A 23 -9.735 6.837 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.171 9.301 -0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.593 8.574 0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.285 8.569 -0.375 1.00 0.00 H new ATOM 365 N ARG A 24 -10.673 9.618 -3.505 1.00 0.00 N ATOM 366 CA ARG A 24 -10.382 10.268 -4.774 1.00 0.00 C ATOM 367 C ARG A 24 -10.421 11.779 -4.527 1.00 0.00 C ATOM 368 O ARG A 24 -11.139 12.515 -5.198 1.00 0.00 O ATOM 369 CB ARG A 24 -11.385 9.784 -5.831 1.00 0.00 C ATOM 370 CG ARG A 24 -11.049 8.347 -6.266 1.00 0.00 C ATOM 371 CD ARG A 24 -12.303 7.520 -6.566 1.00 0.00 C ATOM 372 NE ARG A 24 -13.006 7.211 -5.317 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.843 6.189 -5.105 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.258 5.409 -6.108 1.00 0.00 N ATOM 375 NH2 ARG A 24 -14.232 5.960 -3.850 1.00 0.00 N ATOM 0 H ARG A 24 -11.649 9.339 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.395 10.016 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.397 9.822 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.362 10.448 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.416 8.377 -7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.473 7.858 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.961 8.071 -7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.027 6.597 -7.077 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.840 7.839 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.936 5.587 -7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.896 4.636 -5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.892 6.554 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.870 5.190 -3.646 1.00 0.00 H new ATOM 389 N ASN A 25 -9.637 12.226 -3.540 1.00 0.00 N ATOM 390 CA ASN A 25 -9.511 13.610 -3.128 1.00 0.00 C ATOM 391 C ASN A 25 -8.030 13.943 -2.966 1.00 0.00 C ATOM 392 O ASN A 25 -7.444 13.698 -1.910 1.00 0.00 O ATOM 393 CB ASN A 25 -10.249 13.879 -1.811 1.00 0.00 C ATOM 394 CG ASN A 25 -9.942 15.289 -1.305 1.00 0.00 C ATOM 395 OD1 ASN A 25 -9.600 16.179 -2.085 1.00 0.00 O ATOM 396 ND2 ASN A 25 -10.024 15.504 0.004 1.00 0.00 N ATOM 0 H ASN A 25 -9.052 11.598 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.963 14.241 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.323 13.765 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.950 13.144 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.801 16.424 0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.310 14.749 0.628 1.00 0.00 H new ATOM 403 N ALA A 26 -7.433 14.545 -3.993 1.00 0.00 N ATOM 404 CA ALA A 26 -6.034 14.953 -3.975 1.00 0.00 C ATOM 405 C ALA A 26 -5.708 15.920 -2.835 1.00 0.00 C ATOM 406 O ALA A 26 -4.548 16.073 -2.465 1.00 0.00 O ATOM 407 CB ALA A 26 -5.676 15.580 -5.325 1.00 0.00 C ATOM 0 H ALA A 26 -7.912 14.764 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.433 14.061 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.630 15.887 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.834 14.850 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.309 16.450 -5.501 1.00 0.00 H new ATOM 413 N ASN A 27 -6.731 16.572 -2.281 1.00 0.00 N ATOM 414 CA ASN A 27 -6.584 17.552 -1.209 1.00 0.00 C ATOM 415 C ASN A 27 -6.600 16.903 0.175 1.00 0.00 C ATOM 416 O ASN A 27 -6.560 17.619 1.174 1.00 0.00 O ATOM 417 CB ASN A 27 -7.681 18.627 -1.291 1.00 0.00 C ATOM 418 CG ASN A 27 -7.902 19.150 -2.706 1.00 0.00 C ATOM 419 OD1 ASN A 27 -7.281 20.121 -3.126 1.00 0.00 O ATOM 420 ND2 ASN A 27 -8.795 18.510 -3.457 1.00 0.00 N ATOM 0 H ASN A 27 -7.699 16.431 -2.570 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.610 18.021 -1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.616 18.213 -0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.415 19.460 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.979 18.824 -4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.296 17.705 -3.080 1.00 0.00 H new ATOM 427 N CYS A 28 -6.696 15.573 0.268 1.00 0.00 N ATOM 428 CA CYS A 28 -6.745 14.912 1.565 1.00 0.00 C ATOM 429 C CYS A 28 -5.470 15.187 2.370 1.00 0.00 C ATOM 430 O CYS A 28 -4.360 15.038 1.863 1.00 0.00 O ATOM 431 CB CYS A 28 -6.982 13.414 1.393 1.00 0.00 C ATOM 432 SG CYS A 28 -7.176 12.532 2.965 1.00 0.00 S ATOM 0 H CYS A 28 -6.741 14.943 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.583 15.323 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.875 13.262 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.146 12.982 0.843 1.00 0.00 H new ATOM 437 N SER A 29 -5.637 15.596 3.629 1.00 0.00 N ATOM 438 CA SER A 29 -4.570 15.961 4.544 1.00 0.00 C ATOM 439 C SER A 29 -3.789 14.759 5.079 1.00 0.00 C ATOM 440 O SER A 29 -2.587 14.875 5.296 1.00 0.00 O ATOM 441 CB SER A 29 -5.223 16.740 5.689 1.00 0.00 C ATOM 442 OG SER A 29 -6.461 16.125 6.019 1.00 0.00 O ATOM 0 H SER A 29 -6.562 15.683 4.050 1.00 0.00 H new ATOM 0 HA SER A 29 -3.831 16.561 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.566 16.754 6.558 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.384 17.777 5.395 1.00 0.00 H new ATOM 0 HG SER A 29 -6.885 16.617 6.753 1.00 0.00 H new ATOM 448 N LEU A 30 -4.470 13.635 5.338 1.00 0.00 N ATOM 449 CA LEU A 30 -3.898 12.415 5.907 1.00 0.00 C ATOM 450 C LEU A 30 -2.522 12.069 5.309 1.00 0.00 C ATOM 451 O LEU A 30 -2.462 11.568 4.184 1.00 0.00 O ATOM 452 CB LEU A 30 -4.860 11.237 5.680 1.00 0.00 C ATOM 453 CG LEU A 30 -5.857 10.958 6.809 1.00 0.00 C ATOM 454 CD1 LEU A 30 -6.967 10.054 6.265 1.00 0.00 C ATOM 455 CD2 LEU A 30 -5.153 10.229 7.961 1.00 0.00 C ATOM 0 H LEU A 30 -5.469 13.551 5.149 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.756 12.595 6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.421 11.423 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.268 10.337 5.514 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.267 11.900 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.687 9.845 7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.472 10.555 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.534 9.118 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.869 10.034 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.747 9.284 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.343 10.850 8.343 1.00 0.00 H new ATOM 467 N PRO A 31 -1.418 12.267 6.050 1.00 0.00 N ATOM 468 CA PRO A 31 -0.083 11.902 5.597 1.00 0.00 C ATOM 469 C PRO A 31 -0.038 10.441 5.142 1.00 0.00 C ATOM 470 O PRO A 31 0.565 10.117 4.124 1.00 0.00 O ATOM 471 CB PRO A 31 0.844 12.139 6.794 1.00 0.00 C ATOM 472 CG PRO A 31 0.105 13.200 7.608 1.00 0.00 C ATOM 473 CD PRO A 31 -1.363 12.842 7.385 1.00 0.00 C ATOM 0 HA PRO A 31 0.223 12.497 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.999 11.226 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.827 12.487 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.375 13.160 8.663 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.332 14.207 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.713 12.132 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.999 13.724 7.460 1.00 0.00 H new ATOM 481 N SER A 32 -0.693 9.556 5.903 1.00 0.00 N ATOM 482 CA SER A 32 -0.744 8.133 5.599 1.00 0.00 C ATOM 483 C SER A 32 -1.498 7.884 4.284 1.00 0.00 C ATOM 484 O SER A 32 -1.097 7.038 3.486 1.00 0.00 O ATOM 485 CB SER A 32 -1.350 7.377 6.790 1.00 0.00 C ATOM 486 OG SER A 32 -1.044 6.002 6.714 1.00 0.00 O ATOM 0 H SER A 32 -1.202 9.814 6.748 1.00 0.00 H new ATOM 0 HA SER A 32 0.265 7.750 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.966 7.789 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.431 7.514 6.802 1.00 0.00 H new ATOM 0 HG SER A 32 -1.625 5.574 6.051 1.00 0.00 H new ATOM 492 N CYS A 33 -2.565 8.647 4.021 1.00 0.00 N ATOM 493 CA CYS A 33 -3.310 8.529 2.774 1.00 0.00 C ATOM 494 C CYS A 33 -2.394 8.935 1.624 1.00 0.00 C ATOM 495 O CYS A 33 -2.247 8.200 0.650 1.00 0.00 O ATOM 496 CB CYS A 33 -4.583 9.374 2.814 1.00 0.00 C ATOM 497 SG CYS A 33 -5.475 9.601 1.257 1.00 0.00 S ATOM 0 H CYS A 33 -2.928 9.353 4.661 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.630 7.497 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.267 8.921 3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.322 10.359 3.200 1.00 0.00 H new ATOM 502 N GLN A 34 -1.753 10.099 1.760 1.00 0.00 N ATOM 503 CA GLN A 34 -0.806 10.604 0.776 1.00 0.00 C ATOM 504 C GLN A 34 0.297 9.566 0.532 1.00 0.00 C ATOM 505 O GLN A 34 0.658 9.283 -0.608 1.00 0.00 O ATOM 506 CB GLN A 34 -0.216 11.933 1.265 1.00 0.00 C ATOM 507 CG GLN A 34 -1.274 13.044 1.363 1.00 0.00 C ATOM 508 CD GLN A 34 -0.752 14.270 2.109 1.00 0.00 C ATOM 509 OE1 GLN A 34 0.411 14.332 2.499 1.00 0.00 O ATOM 510 NE2 GLN A 34 -1.610 15.261 2.323 1.00 0.00 N ATOM 0 H GLN A 34 -1.881 10.717 2.562 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.319 10.782 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.243 11.786 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.576 12.248 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.586 13.336 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.157 12.659 1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.571 15.185 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.308 16.098 2.822 1.00 0.00 H new ATOM 519 N LYS A 35 0.838 8.990 1.608 1.00 0.00 N ATOM 520 CA LYS A 35 1.879 7.972 1.544 1.00 0.00 C ATOM 521 C LYS A 35 1.377 6.797 0.708 1.00 0.00 C ATOM 522 O LYS A 35 2.025 6.404 -0.261 1.00 0.00 O ATOM 523 CB LYS A 35 2.288 7.577 2.973 1.00 0.00 C ATOM 524 CG LYS A 35 3.468 6.600 3.074 1.00 0.00 C ATOM 525 CD LYS A 35 3.061 5.135 2.844 1.00 0.00 C ATOM 526 CE LYS A 35 4.140 4.168 3.346 1.00 0.00 C ATOM 527 NZ LYS A 35 5.440 4.402 2.693 1.00 0.00 N ATOM 0 H LYS A 35 0.558 9.224 2.561 1.00 0.00 H new ATOM 0 HA LYS A 35 2.776 8.350 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.540 8.483 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.426 7.132 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.226 6.879 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.926 6.693 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.121 4.932 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.886 4.967 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.251 4.278 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.821 3.142 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.040 3.560 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.291 4.592 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.907 5.220 3.133 1.00 0.00 H new ATOM 541 N MET A 36 0.217 6.238 1.065 1.00 0.00 N ATOM 542 CA MET A 36 -0.354 5.125 0.325 1.00 0.00 C ATOM 543 C MET A 36 -0.550 5.497 -1.147 1.00 0.00 C ATOM 544 O MET A 36 -0.133 4.741 -2.018 1.00 0.00 O ATOM 545 CB MET A 36 -1.641 4.630 0.997 1.00 0.00 C ATOM 546 CG MET A 36 -1.319 3.908 2.313 1.00 0.00 C ATOM 547 SD MET A 36 -0.399 2.356 2.137 1.00 0.00 S ATOM 548 CE MET A 36 -0.042 2.007 3.870 1.00 0.00 C ATOM 0 H MET A 36 -0.340 6.543 1.863 1.00 0.00 H new ATOM 0 HA MET A 36 0.345 4.289 0.342 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.304 5.473 1.191 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.172 3.955 0.326 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.744 4.582 2.948 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.254 3.700 2.833 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.524 1.078 3.945 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.543 2.824 4.293 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.977 1.908 4.421 1.00 0.00 H new ATOM 558 N LYS A 37 -1.135 6.662 -1.445 1.00 0.00 N ATOM 559 CA LYS A 37 -1.297 7.109 -2.824 1.00 0.00 C ATOM 560 C LYS A 37 0.051 7.121 -3.547 1.00 0.00 C ATOM 561 O LYS A 37 0.160 6.655 -4.683 1.00 0.00 O ATOM 562 CB LYS A 37 -1.933 8.503 -2.878 1.00 0.00 C ATOM 563 CG LYS A 37 -3.416 8.454 -2.509 1.00 0.00 C ATOM 564 CD LYS A 37 -4.024 9.856 -2.551 1.00 0.00 C ATOM 565 CE LYS A 37 -5.547 9.751 -2.435 1.00 0.00 C ATOM 566 NZ LYS A 37 -6.167 11.078 -2.308 1.00 0.00 N ATOM 0 H LYS A 37 -1.502 7.309 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.961 6.407 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.408 9.171 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.819 8.918 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.947 7.800 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.535 8.029 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.627 10.462 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.752 10.355 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.946 9.243 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.807 9.142 -1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.199 10.989 -2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.937 11.481 -1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.804 11.704 -3.055 1.00 0.00 H new ATOM 580 N ARG A 38 1.086 7.673 -2.911 1.00 0.00 N ATOM 581 CA ARG A 38 2.419 7.727 -3.495 1.00 0.00 C ATOM 582 C ARG A 38 2.932 6.310 -3.768 1.00 0.00 C ATOM 583 O ARG A 38 3.404 6.038 -4.868 1.00 0.00 O ATOM 584 CB ARG A 38 3.361 8.548 -2.604 1.00 0.00 C ATOM 585 CG ARG A 38 3.050 10.045 -2.760 1.00 0.00 C ATOM 586 CD ARG A 38 3.815 10.905 -1.748 1.00 0.00 C ATOM 587 NE ARG A 38 3.275 10.739 -0.392 1.00 0.00 N ATOM 588 CZ ARG A 38 3.673 11.454 0.674 1.00 0.00 C ATOM 589 NH1 ARG A 38 4.641 12.367 0.544 1.00 0.00 N ATOM 590 NH2 ARG A 38 3.100 11.262 1.867 1.00 0.00 N ATOM 0 H ARG A 38 1.021 8.091 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 38 2.379 8.239 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.244 8.249 -1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.398 8.352 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.305 10.364 -3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.979 10.207 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.870 10.631 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.756 11.954 -2.040 1.00 0.00 H new ATOM 0 HE ARG A 38 2.551 10.035 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.078 12.521 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.943 12.909 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.357 10.570 1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.406 11.807 2.673 1.00 0.00 H new ATOM 604 N VAL A 39 2.820 5.397 -2.799 1.00 0.00 N ATOM 605 CA VAL A 39 3.248 4.009 -2.966 1.00 0.00 C ATOM 606 C VAL A 39 2.481 3.330 -4.112 1.00 0.00 C ATOM 607 O VAL A 39 3.080 2.632 -4.933 1.00 0.00 O ATOM 608 CB VAL A 39 3.106 3.252 -1.632 1.00 0.00 C ATOM 609 CG1 VAL A 39 3.331 1.745 -1.802 1.00 0.00 C ATOM 610 CG2 VAL A 39 4.133 3.767 -0.615 1.00 0.00 C ATOM 0 H VAL A 39 2.430 5.601 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 39 4.301 3.990 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 39 2.089 3.426 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.222 1.250 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.597 1.344 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.335 1.568 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.021 3.223 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.139 3.614 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.969 4.830 -0.439 1.00 0.00 H new ATOM 620 N VAL A 40 1.161 3.521 -4.173 1.00 0.00 N ATOM 621 CA VAL A 40 0.310 2.949 -5.209 1.00 0.00 C ATOM 622 C VAL A 40 0.779 3.442 -6.580 1.00 0.00 C ATOM 623 O VAL A 40 1.089 2.636 -7.457 1.00 0.00 O ATOM 624 CB VAL A 40 -1.169 3.282 -4.932 1.00 0.00 C ATOM 625 CG1 VAL A 40 -2.068 2.963 -6.134 1.00 0.00 C ATOM 626 CG2 VAL A 40 -1.684 2.478 -3.730 1.00 0.00 C ATOM 0 H VAL A 40 0.650 4.085 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 40 0.391 1.862 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.212 4.352 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.101 3.214 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.745 3.547 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.998 1.901 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.730 2.725 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.594 1.412 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.094 2.725 -2.847 1.00 0.00 H new ATOM 636 N GLN A 41 0.842 4.765 -6.758 1.00 0.00 N ATOM 637 CA GLN A 41 1.276 5.377 -8.009 1.00 0.00 C ATOM 638 C GLN A 41 2.674 4.882 -8.381 1.00 0.00 C ATOM 639 O GLN A 41 2.892 4.448 -9.514 1.00 0.00 O ATOM 640 CB GLN A 41 1.243 6.902 -7.883 1.00 0.00 C ATOM 641 CG GLN A 41 -0.202 7.417 -7.853 1.00 0.00 C ATOM 642 CD GLN A 41 -0.253 8.873 -7.410 1.00 0.00 C ATOM 643 OE1 GLN A 41 -0.575 9.765 -8.186 1.00 0.00 O ATOM 644 NE2 GLN A 41 0.068 9.113 -6.146 1.00 0.00 N ATOM 0 H GLN A 41 0.592 5.440 -6.035 1.00 0.00 H new ATOM 0 HA GLN A 41 0.593 5.087 -8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.761 7.207 -6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.776 7.352 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.648 7.318 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.796 6.805 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.331 8.343 -5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.052 10.068 -5.788 1.00 0.00 H new ATOM 653 N HIS A 42 3.606 4.925 -7.421 1.00 0.00 N ATOM 654 CA HIS A 42 4.961 4.436 -7.610 1.00 0.00 C ATOM 655 C HIS A 42 4.891 3.030 -8.192 1.00 0.00 C ATOM 656 O HIS A 42 5.439 2.782 -9.260 1.00 0.00 O ATOM 657 CB HIS A 42 5.756 4.440 -6.288 1.00 0.00 C ATOM 658 CG HIS A 42 7.023 3.616 -6.374 1.00 0.00 C ATOM 659 ND1 HIS A 42 8.137 3.973 -7.101 1.00 0.00 N ATOM 660 CD2 HIS A 42 7.065 2.253 -6.219 1.00 0.00 C ATOM 661 CE1 HIS A 42 8.805 2.849 -7.408 1.00 0.00 C ATOM 662 NE2 HIS A 42 8.174 1.772 -6.915 1.00 0.00 N ATOM 0 H HIS A 42 3.432 5.303 -6.490 1.00 0.00 H new ATOM 0 HA HIS A 42 5.487 5.099 -8.297 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.011 5.466 -6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.127 4.051 -5.488 1.00 0.00 H new ATOM 0 HD1 HIS A 42 8.407 4.922 -7.360 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.362 1.657 -5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.724 2.816 -7.974 1.00 0.00 H new ATOM 670 N THR A 43 4.229 2.116 -7.483 1.00 0.00 N ATOM 671 CA THR A 43 4.139 0.725 -7.889 1.00 0.00 C ATOM 672 C THR A 43 3.576 0.594 -9.300 1.00 0.00 C ATOM 673 O THR A 43 4.162 -0.081 -10.142 1.00 0.00 O ATOM 674 CB THR A 43 3.323 -0.066 -6.860 1.00 0.00 C ATOM 675 OG1 THR A 43 3.929 0.055 -5.590 1.00 0.00 O ATOM 676 CG2 THR A 43 3.251 -1.543 -7.263 1.00 0.00 C ATOM 0 H THR A 43 3.742 2.325 -6.612 1.00 0.00 H new ATOM 0 HA THR A 43 5.142 0.299 -7.919 1.00 0.00 H new ATOM 0 HB THR A 43 2.310 0.335 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.709 0.929 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.669 -2.094 -6.524 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.774 -1.631 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.258 -1.956 -7.312 1.00 0.00 H new ATOM 684 N LYS A 44 2.438 1.240 -9.554 1.00 0.00 N ATOM 685 CA LYS A 44 1.782 1.216 -10.851 1.00 0.00 C ATOM 686 C LYS A 44 2.753 1.634 -11.965 1.00 0.00 C ATOM 687 O LYS A 44 2.799 1.001 -13.017 1.00 0.00 O ATOM 688 CB LYS A 44 0.541 2.118 -10.788 1.00 0.00 C ATOM 689 CG LYS A 44 -0.383 1.927 -11.998 1.00 0.00 C ATOM 690 CD LYS A 44 -1.553 2.922 -11.989 1.00 0.00 C ATOM 691 CE LYS A 44 -2.427 2.856 -10.727 1.00 0.00 C ATOM 692 NZ LYS A 44 -2.949 1.500 -10.485 1.00 0.00 N ATOM 0 H LYS A 44 1.946 1.798 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 44 1.463 0.202 -11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.013 1.905 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.855 3.160 -10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.191 2.050 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.772 0.909 -12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.157 3.932 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.180 2.736 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.843 3.178 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.260 3.552 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.600 1.518 -9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.457 1.168 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.159 0.855 -10.280 1.00 0.00 H new ATOM 706 N GLY A 45 3.516 2.708 -11.740 1.00 0.00 N ATOM 707 CA GLY A 45 4.460 3.233 -12.717 1.00 0.00 C ATOM 708 C GLY A 45 5.745 2.412 -12.854 1.00 0.00 C ATOM 709 O GLY A 45 6.315 2.314 -13.939 1.00 0.00 O ATOM 0 H GLY A 45 3.492 3.237 -10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.969 3.283 -13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.723 4.254 -12.439 1.00 0.00 H new ATOM 713 N CYS A 46 6.239 1.891 -11.732 1.00 0.00 N ATOM 714 CA CYS A 46 7.503 1.184 -11.596 1.00 0.00 C ATOM 715 C CYS A 46 7.707 0.048 -12.601 1.00 0.00 C ATOM 716 O CYS A 46 7.331 -1.095 -12.356 1.00 0.00 O ATOM 717 CB CYS A 46 7.667 0.684 -10.158 1.00 0.00 C ATOM 718 SG CYS A 46 9.277 -0.055 -9.774 1.00 0.00 S ATOM 0 H CYS A 46 5.737 1.957 -10.847 1.00 0.00 H new ATOM 0 HA CYS A 46 8.284 1.908 -11.831 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.498 1.520 -9.479 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.890 -0.053 -9.956 1.00 0.00 H new ATOM 723 N LYS A 47 8.395 0.342 -13.705 1.00 0.00 N ATOM 724 CA LYS A 47 8.752 -0.653 -14.707 1.00 0.00 C ATOM 725 C LYS A 47 9.596 -1.779 -14.092 1.00 0.00 C ATOM 726 O LYS A 47 9.653 -2.877 -14.645 1.00 0.00 O ATOM 727 CB LYS A 47 9.504 0.023 -15.862 1.00 0.00 C ATOM 728 CG LYS A 47 8.725 1.169 -16.531 1.00 0.00 C ATOM 729 CD LYS A 47 7.318 0.820 -17.043 1.00 0.00 C ATOM 730 CE LYS A 47 7.296 -0.208 -18.185 1.00 0.00 C ATOM 731 NZ LYS A 47 7.369 -1.600 -17.705 1.00 0.00 N ATOM 0 H LYS A 47 8.720 1.283 -13.927 1.00 0.00 H new ATOM 0 HA LYS A 47 7.837 -1.102 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.451 0.412 -15.487 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.743 -0.728 -16.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.637 1.987 -15.816 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.313 1.540 -17.370 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.727 0.435 -16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.831 1.734 -17.383 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.384 -0.077 -18.767 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.133 -0.016 -18.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.971 -2.237 -18.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.362 -1.855 -17.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.826 -1.692 -16.823 1.00 0.00 H new ATOM 745 N ARG A 48 10.259 -1.506 -12.961 1.00 0.00 N ATOM 746 CA ARG A 48 11.091 -2.459 -12.237 1.00 0.00 C ATOM 747 C ARG A 48 10.304 -3.249 -11.185 1.00 0.00 C ATOM 748 O ARG A 48 10.922 -3.996 -10.424 1.00 0.00 O ATOM 749 CB ARG A 48 12.300 -1.734 -11.618 1.00 0.00 C ATOM 750 CG ARG A 48 13.138 -0.892 -12.599 1.00 0.00 C ATOM 751 CD ARG A 48 13.872 -1.719 -13.665 1.00 0.00 C ATOM 752 NE ARG A 48 12.930 -2.291 -14.635 1.00 0.00 N ATOM 753 CZ ARG A 48 13.011 -3.521 -15.160 1.00 0.00 C ATOM 754 NH1 ARG A 48 14.169 -4.189 -15.179 1.00 0.00 N ATOM 755 NH2 ARG A 48 11.908 -4.101 -15.638 1.00 0.00 N ATOM 0 H ARG A 48 10.227 -0.588 -12.517 1.00 0.00 H new ATOM 0 HA ARG A 48 11.453 -3.197 -12.953 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.942 -1.083 -10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.950 -2.477 -11.156 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.484 -0.176 -13.097 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.870 -0.316 -12.033 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.595 -1.089 -14.184 1.00 0.00 H new ATOM 0 HD3 ARG A 48 14.434 -2.520 -13.184 1.00 0.00 H new ATOM 0 HE ARG A 48 12.151 -1.704 -14.933 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.010 -3.763 -14.790 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.211 -5.125 -15.583 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.016 -3.608 -15.601 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.957 -5.037 -16.040 1.00 0.00 H new ATOM 769 N LYS A 49 8.970 -3.115 -11.141 1.00 0.00 N ATOM 770 CA LYS A 49 8.092 -3.854 -10.238 1.00 0.00 C ATOM 771 C LYS A 49 8.474 -5.333 -10.276 1.00 0.00 C ATOM 772 O LYS A 49 8.351 -5.967 -11.323 1.00 0.00 O ATOM 773 CB LYS A 49 6.639 -3.645 -10.695 1.00 0.00 C ATOM 774 CG LYS A 49 5.588 -4.445 -9.910 1.00 0.00 C ATOM 775 CD LYS A 49 4.247 -4.483 -10.659 1.00 0.00 C ATOM 776 CE LYS A 49 3.686 -3.082 -10.925 1.00 0.00 C ATOM 777 NZ LYS A 49 2.369 -3.137 -11.583 1.00 0.00 N ATOM 0 H LYS A 49 8.465 -2.472 -11.750 1.00 0.00 H new ATOM 0 HA LYS A 49 8.194 -3.499 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.399 -2.585 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.564 -3.912 -11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.947 -5.462 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.446 -3.997 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.378 -5.005 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.525 -5.056 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.600 -2.540 -9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.382 -2.524 -11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.022 -2.170 -11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.456 -3.632 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.698 -3.647 -10.974 1.00 0.00 H new ATOM 791 N THR A 50 8.972 -5.870 -9.157 1.00 0.00 N ATOM 792 CA THR A 50 9.416 -7.252 -9.014 1.00 0.00 C ATOM 793 C THR A 50 10.730 -7.518 -9.758 1.00 0.00 C ATOM 794 O THR A 50 11.663 -8.062 -9.169 1.00 0.00 O ATOM 795 CB THR A 50 8.297 -8.242 -9.391 1.00 0.00 C ATOM 796 OG1 THR A 50 7.126 -7.896 -8.677 1.00 0.00 O ATOM 797 CG2 THR A 50 8.671 -9.688 -9.053 1.00 0.00 C ATOM 0 H THR A 50 9.079 -5.331 -8.298 1.00 0.00 H new ATOM 0 HA THR A 50 9.637 -7.419 -7.960 1.00 0.00 H new ATOM 0 HB THR A 50 8.139 -8.179 -10.468 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.405 -8.518 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.853 -10.351 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.571 -9.968 -9.600 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.855 -9.775 -7.982 1.00 0.00 H new ATOM 805 N ASN A 51 10.822 -7.137 -11.036 1.00 0.00 N ATOM 806 CA ASN A 51 11.993 -7.345 -11.882 1.00 0.00 C ATOM 807 C ASN A 51 13.267 -6.850 -11.201 1.00 0.00 C ATOM 808 O ASN A 51 14.281 -7.542 -11.247 1.00 0.00 O ATOM 809 CB ASN A 51 11.790 -6.658 -13.240 1.00 0.00 C ATOM 810 CG ASN A 51 12.803 -7.038 -14.329 1.00 0.00 C ATOM 811 OD1 ASN A 51 12.569 -6.748 -15.499 1.00 0.00 O ATOM 812 ND2 ASN A 51 13.939 -7.656 -14.013 1.00 0.00 N ATOM 0 H ASN A 51 10.060 -6.662 -11.521 1.00 0.00 H new ATOM 0 HA ASN A 51 12.110 -8.416 -12.047 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.789 -6.894 -13.601 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.830 -5.579 -13.092 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.613 -7.888 -14.742 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.135 -7.898 -13.042 1.00 0.00 H new ATOM 819 N GLY A 52 13.222 -5.671 -10.574 1.00 0.00 N ATOM 820 CA GLY A 52 14.365 -5.106 -9.871 1.00 0.00 C ATOM 821 C GLY A 52 14.259 -5.332 -8.364 1.00 0.00 C ATOM 822 O GLY A 52 14.826 -4.566 -7.587 1.00 0.00 O ATOM 0 H GLY A 52 12.388 -5.085 -10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.284 -5.558 -10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.429 -4.038 -10.077 1.00 0.00 H new ATOM 826 N GLY A 53 13.504 -6.344 -7.925 1.00 0.00 N ATOM 827 CA GLY A 53 13.271 -6.665 -6.524 1.00 0.00 C ATOM 828 C GLY A 53 12.226 -5.720 -5.938 1.00 0.00 C ATOM 829 O GLY A 53 11.198 -6.157 -5.431 1.00 0.00 O ATOM 0 H GLY A 53 13.024 -6.981 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.933 -7.697 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.202 -6.583 -5.964 1.00 0.00 H new ATOM 833 N CYS A 54 12.517 -4.423 -6.033 1.00 0.00 N ATOM 834 CA CYS A 54 11.744 -3.277 -5.575 1.00 0.00 C ATOM 835 C CYS A 54 10.933 -3.518 -4.283 1.00 0.00 C ATOM 836 O CYS A 54 9.746 -3.853 -4.351 1.00 0.00 O ATOM 837 CB CYS A 54 10.888 -2.698 -6.703 1.00 0.00 C ATOM 838 SG CYS A 54 10.474 -0.973 -6.331 1.00 0.00 S ATOM 0 H CYS A 54 13.385 -4.123 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 54 12.481 -2.526 -5.289 1.00 0.00 H new ATOM 0 HB2 CYS A 54 11.427 -2.757 -7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.976 -3.284 -6.818 1.00 0.00 H new ATOM 843 N PRO A 55 11.537 -3.317 -3.097 1.00 0.00 N ATOM 844 CA PRO A 55 10.859 -3.524 -1.824 1.00 0.00 C ATOM 845 C PRO A 55 9.552 -2.739 -1.698 1.00 0.00 C ATOM 846 O PRO A 55 8.615 -3.214 -1.061 1.00 0.00 O ATOM 847 CB PRO A 55 11.858 -3.150 -0.725 1.00 0.00 C ATOM 848 CG PRO A 55 12.928 -2.332 -1.442 1.00 0.00 C ATOM 849 CD PRO A 55 12.911 -2.890 -2.863 1.00 0.00 C ATOM 0 HA PRO A 55 10.554 -4.567 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.380 -2.572 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.284 -4.038 -0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.697 -1.267 -1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.905 -2.453 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 55 13.215 -2.133 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 55 13.604 -3.725 -2.965 1.00 0.00 H new ATOM 857 N VAL A 56 9.469 -1.534 -2.265 1.00 0.00 N ATOM 858 CA VAL A 56 8.250 -0.730 -2.208 1.00 0.00 C ATOM 859 C VAL A 56 7.083 -1.519 -2.814 1.00 0.00 C ATOM 860 O VAL A 56 6.055 -1.732 -2.167 1.00 0.00 O ATOM 861 CB VAL A 56 8.452 0.612 -2.934 1.00 0.00 C ATOM 862 CG1 VAL A 56 7.149 1.424 -2.922 1.00 0.00 C ATOM 863 CG2 VAL A 56 9.560 1.436 -2.264 1.00 0.00 C ATOM 0 H VAL A 56 10.237 -1.093 -2.771 1.00 0.00 H new ATOM 0 HA VAL A 56 8.015 -0.508 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 56 8.742 0.394 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.306 2.371 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.364 0.860 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.851 1.618 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.684 2.380 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.288 1.636 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.496 0.878 -2.293 1.00 0.00 H new ATOM 873 N CYS A 57 7.258 -1.967 -4.060 1.00 0.00 N ATOM 874 CA CYS A 57 6.232 -2.727 -4.750 1.00 0.00 C ATOM 875 C CYS A 57 5.919 -4.001 -3.970 1.00 0.00 C ATOM 876 O CYS A 57 4.751 -4.319 -3.769 1.00 0.00 O ATOM 877 CB CYS A 57 6.664 -3.072 -6.177 1.00 0.00 C ATOM 878 SG CYS A 57 7.018 -1.662 -7.256 1.00 0.00 S ATOM 0 H CYS A 57 8.105 -1.812 -4.606 1.00 0.00 H new ATOM 0 HA CYS A 57 5.334 -2.112 -4.812 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.555 -3.698 -6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.879 -3.671 -6.639 1.00 0.00 H new ATOM 883 N LYS A 58 6.952 -4.723 -3.524 1.00 0.00 N ATOM 884 CA LYS A 58 6.753 -5.946 -2.754 1.00 0.00 C ATOM 885 C LYS A 58 5.875 -5.675 -1.530 1.00 0.00 C ATOM 886 O LYS A 58 4.911 -6.399 -1.289 1.00 0.00 O ATOM 887 CB LYS A 58 8.102 -6.552 -2.350 1.00 0.00 C ATOM 888 CG LYS A 58 8.859 -7.109 -3.562 1.00 0.00 C ATOM 889 CD LYS A 58 8.351 -8.510 -3.935 1.00 0.00 C ATOM 890 CE LYS A 58 8.823 -8.924 -5.332 1.00 0.00 C ATOM 891 NZ LYS A 58 10.289 -8.865 -5.464 1.00 0.00 N ATOM 0 H LYS A 58 7.929 -4.479 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 58 6.235 -6.672 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.710 -5.792 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.940 -7.349 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.737 -6.437 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.925 -7.152 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.705 -9.234 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.262 -8.525 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.481 -9.937 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.366 -8.272 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.575 -9.310 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.599 -7.872 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.730 -9.371 -4.669 1.00 0.00 H new ATOM 905 N GLN A 59 6.185 -4.624 -0.768 1.00 0.00 N ATOM 906 CA GLN A 59 5.396 -4.246 0.396 1.00 0.00 C ATOM 907 C GLN A 59 3.952 -3.962 -0.015 1.00 0.00 C ATOM 908 O GLN A 59 3.033 -4.476 0.619 1.00 0.00 O ATOM 909 CB GLN A 59 6.030 -3.046 1.107 1.00 0.00 C ATOM 910 CG GLN A 59 7.273 -3.481 1.896 1.00 0.00 C ATOM 911 CD GLN A 59 8.109 -2.278 2.306 1.00 0.00 C ATOM 912 OE1 GLN A 59 8.148 -1.895 3.470 1.00 0.00 O ATOM 913 NE2 GLN A 59 8.789 -1.675 1.339 1.00 0.00 N ATOM 0 H GLN A 59 6.986 -4.017 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 59 5.384 -5.076 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.304 -2.286 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.305 -2.591 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.969 -4.036 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.875 -4.157 1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.732 -2.023 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.369 -0.864 1.553 1.00 0.00 H new ATOM 922 N LEU A 60 3.731 -3.167 -1.071 1.00 0.00 N ATOM 923 CA LEU A 60 2.369 -2.890 -1.517 1.00 0.00 C ATOM 924 C LEU A 60 1.645 -4.196 -1.858 1.00 0.00 C ATOM 925 O LEU A 60 0.533 -4.426 -1.390 1.00 0.00 O ATOM 926 CB LEU A 60 2.349 -1.919 -2.706 1.00 0.00 C ATOM 927 CG LEU A 60 0.908 -1.578 -3.146 1.00 0.00 C ATOM 928 CD1 LEU A 60 0.123 -0.791 -2.088 1.00 0.00 C ATOM 929 CD2 LEU A 60 0.938 -0.748 -4.427 1.00 0.00 C ATOM 0 H LEU A 60 4.464 -2.716 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 60 1.839 -2.404 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.873 -1.002 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.890 -2.359 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 60 0.405 -2.532 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.881 -0.583 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.057 -1.379 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.634 0.149 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.082 -0.511 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.487 0.176 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.430 -1.316 -5.217 1.00 0.00 H new ATOM 941 N ILE A 61 2.270 -5.054 -2.666 1.00 0.00 N ATOM 942 CA ILE A 61 1.700 -6.332 -3.070 1.00 0.00 C ATOM 943 C ILE A 61 1.357 -7.166 -1.832 1.00 0.00 C ATOM 944 O ILE A 61 0.263 -7.717 -1.743 1.00 0.00 O ATOM 945 CB ILE A 61 2.640 -7.044 -4.062 1.00 0.00 C ATOM 946 CG1 ILE A 61 2.679 -6.256 -5.387 1.00 0.00 C ATOM 947 CG2 ILE A 61 2.172 -8.484 -4.328 1.00 0.00 C ATOM 948 CD1 ILE A 61 3.864 -6.645 -6.277 1.00 0.00 C ATOM 0 H ILE A 61 3.194 -4.876 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 61 0.762 -6.176 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 61 3.638 -7.085 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.751 -6.426 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.730 -5.189 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.853 -8.964 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.164 -9.043 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.167 -8.468 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.838 -6.057 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.796 -6.450 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.802 -7.705 -6.523 1.00 0.00 H new ATOM 960 N ALA A 62 2.267 -7.256 -0.863 1.00 0.00 N ATOM 961 CA ALA A 62 2.030 -8.007 0.362 1.00 0.00 C ATOM 962 C ALA A 62 0.865 -7.409 1.157 1.00 0.00 C ATOM 963 O ALA A 62 -0.003 -8.140 1.632 1.00 0.00 O ATOM 964 CB ALA A 62 3.314 -8.034 1.189 1.00 0.00 C ATOM 0 H ALA A 62 3.184 -6.812 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 62 1.750 -9.030 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.143 -8.595 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.107 -8.512 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.609 -7.014 1.436 1.00 0.00 H new ATOM 970 N LEU A 63 0.826 -6.081 1.296 1.00 0.00 N ATOM 971 CA LEU A 63 -0.246 -5.383 1.997 1.00 0.00 C ATOM 972 C LEU A 63 -1.580 -5.737 1.327 1.00 0.00 C ATOM 973 O LEU A 63 -2.528 -6.174 1.981 1.00 0.00 O ATOM 974 CB LEU A 63 0.045 -3.873 1.965 1.00 0.00 C ATOM 975 CG LEU A 63 -0.914 -3.027 2.815 1.00 0.00 C ATOM 976 CD1 LEU A 63 -0.703 -3.295 4.308 1.00 0.00 C ATOM 977 CD2 LEU A 63 -0.663 -1.541 2.538 1.00 0.00 C ATOM 0 H LEU A 63 1.543 -5.460 0.922 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.307 -5.687 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.065 -3.704 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.002 -3.527 0.932 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.936 -3.296 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.394 -2.684 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.886 -4.349 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.322 -3.043 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.343 -0.939 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.367 -1.292 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.834 -1.334 1.482 1.00 0.00 H new ATOM 989 N CYS A 64 -1.619 -5.579 0.002 1.00 0.00 N ATOM 990 CA CYS A 64 -2.753 -5.917 -0.846 1.00 0.00 C ATOM 991 C CYS A 64 -3.144 -7.376 -0.630 1.00 0.00 C ATOM 992 O CYS A 64 -4.326 -7.680 -0.528 1.00 0.00 O ATOM 993 CB CYS A 64 -2.399 -5.689 -2.320 1.00 0.00 C ATOM 994 SG CYS A 64 -2.552 -3.943 -2.769 1.00 0.00 S ATOM 0 H CYS A 64 -0.832 -5.199 -0.524 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.593 -5.275 -0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.380 -6.027 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.056 -6.288 -2.951 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.374 -3.822 -3.769 1.00 0.00 H new ATOM 1000 N CYS A 65 -2.166 -8.280 -0.569 1.00 0.00 N ATOM 1001 CA CYS A 65 -2.388 -9.706 -0.353 1.00 0.00 C ATOM 1002 C CYS A 65 -3.113 -9.952 0.961 1.00 0.00 C ATOM 1003 O CYS A 65 -4.195 -10.537 0.999 1.00 0.00 O ATOM 1004 CB CYS A 65 -1.056 -10.463 -0.329 1.00 0.00 C ATOM 1005 SG CYS A 65 -1.429 -12.228 -0.387 1.00 0.00 S ATOM 0 H CYS A 65 -1.181 -8.035 -0.670 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.002 -10.068 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.437 -10.175 -1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.494 -10.220 0.573 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.320 -12.907 -0.370 1.00 0.00 H new ATOM 1011 N TYR A 66 -2.496 -9.483 2.045 1.00 0.00 N ATOM 1012 CA TYR A 66 -3.039 -9.600 3.393 1.00 0.00 C ATOM 1013 C TYR A 66 -4.481 -9.082 3.389 1.00 0.00 C ATOM 1014 O TYR A 66 -5.396 -9.775 3.826 1.00 0.00 O ATOM 1015 CB TYR A 66 -2.123 -8.866 4.382 1.00 0.00 C ATOM 1016 CG TYR A 66 -2.377 -9.121 5.860 1.00 0.00 C ATOM 1017 CD1 TYR A 66 -3.445 -8.475 6.511 1.00 0.00 C ATOM 1018 CD2 TYR A 66 -1.386 -9.753 6.638 1.00 0.00 C ATOM 1019 CE1 TYR A 66 -3.396 -8.248 7.898 1.00 0.00 C ATOM 1020 CE2 TYR A 66 -1.406 -9.633 8.040 1.00 0.00 C ATOM 1021 CZ TYR A 66 -2.366 -8.820 8.664 1.00 0.00 C ATOM 1022 OH TYR A 66 -2.234 -8.536 9.992 1.00 0.00 O ATOM 0 H TYR A 66 -1.595 -9.006 2.009 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.072 -10.639 3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.092 -9.141 4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.213 -7.795 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.305 -8.153 5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.610 -10.330 6.157 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.148 -7.636 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.682 -10.167 8.637 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.203 -7.565 10.117 1.00 0.00 H new ATOM 1032 N HIS A 67 -4.689 -7.883 2.839 1.00 0.00 N ATOM 1033 CA HIS A 67 -6.014 -7.298 2.680 1.00 0.00 C ATOM 1034 C HIS A 67 -6.945 -8.261 1.927 1.00 0.00 C ATOM 1035 O HIS A 67 -8.048 -8.549 2.392 1.00 0.00 O ATOM 1036 CB HIS A 67 -5.865 -5.939 1.973 1.00 0.00 C ATOM 1037 CG HIS A 67 -7.158 -5.367 1.457 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -8.059 -4.607 2.167 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -7.738 -5.691 0.261 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -9.166 -4.489 1.418 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -9.020 -5.147 0.259 1.00 0.00 N ATOM 0 H HIS A 67 -3.935 -7.291 2.491 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.477 -7.130 3.652 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.418 -5.228 2.668 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.171 -6.050 1.139 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.912 -4.206 3.094 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.285 -6.263 -0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.050 -3.941 1.708 1.00 0.00 H new ATOM 1049 N ALA A 68 -6.508 -8.749 0.763 1.00 0.00 N ATOM 1050 CA ALA A 68 -7.259 -9.644 -0.105 1.00 0.00 C ATOM 1051 C ALA A 68 -7.800 -10.846 0.657 1.00 0.00 C ATOM 1052 O ALA A 68 -8.964 -11.189 0.483 1.00 0.00 O ATOM 1053 CB ALA A 68 -6.413 -10.104 -1.297 1.00 0.00 C ATOM 0 H ALA A 68 -5.587 -8.520 0.390 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.109 -9.078 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.003 -10.771 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.103 -9.236 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.531 -10.632 -0.935 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.970 -11.480 1.493 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.391 -12.639 2.279 1.00 0.00 C ATOM 1061 C LYS A 69 -8.698 -12.357 3.024 1.00 0.00 C ATOM 1062 O LYS A 69 -9.584 -13.208 3.081 1.00 0.00 O ATOM 1063 CB LYS A 69 -6.317 -13.032 3.303 1.00 0.00 C ATOM 1064 CG LYS A 69 -5.000 -13.492 2.668 1.00 0.00 C ATOM 1065 CD LYS A 69 -3.901 -13.626 3.733 1.00 0.00 C ATOM 1066 CE LYS A 69 -4.145 -14.804 4.682 1.00 0.00 C ATOM 1067 NZ LYS A 69 -3.039 -14.946 5.647 1.00 0.00 N ATOM 0 H LYS A 69 -5.999 -11.206 1.641 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.543 -13.459 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.119 -12.180 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.705 -13.832 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.147 -14.449 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.689 -12.778 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.937 -13.753 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.845 -12.703 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.082 -14.655 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.250 -15.723 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.230 -15.751 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.150 -15.111 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.957 -14.076 6.211 1.00 0.00 H new ATOM 1081 N HIS A 70 -8.803 -11.163 3.611 1.00 0.00 N ATOM 1082 CA HIS A 70 -9.958 -10.755 4.392 1.00 0.00 C ATOM 1083 C HIS A 70 -11.090 -10.227 3.507 1.00 0.00 C ATOM 1084 O HIS A 70 -12.258 -10.523 3.749 1.00 0.00 O ATOM 1085 CB HIS A 70 -9.518 -9.694 5.408 1.00 0.00 C ATOM 1086 CG HIS A 70 -8.375 -10.142 6.289 1.00 0.00 C ATOM 1087 ND1 HIS A 70 -8.388 -11.219 7.146 1.00 0.00 N ATOM 1088 CD2 HIS A 70 -7.131 -9.573 6.360 1.00 0.00 C ATOM 1089 CE1 HIS A 70 -7.177 -11.286 7.728 1.00 0.00 C ATOM 1090 NE2 HIS A 70 -6.378 -10.302 7.284 1.00 0.00 N ATOM 0 H HIS A 70 -8.077 -10.449 3.553 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.353 -11.626 4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.222 -8.791 4.874 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.368 -9.429 6.036 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.792 -8.713 5.801 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.886 -12.031 8.454 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.414 -10.123 7.565 1.00 0.00 H new ATOM 1098 N CYS A 71 -10.757 -9.396 2.519 1.00 0.00 N ATOM 1099 CA CYS A 71 -11.722 -8.726 1.657 1.00 0.00 C ATOM 1100 C CYS A 71 -12.651 -9.685 0.903 1.00 0.00 C ATOM 1101 O CYS A 71 -12.196 -10.634 0.273 1.00 0.00 O ATOM 1102 CB CYS A 71 -10.974 -7.821 0.683 1.00 0.00 C ATOM 1103 SG CYS A 71 -12.050 -6.774 -0.323 1.00 0.00 S ATOM 0 H CYS A 71 -9.789 -9.167 2.294 1.00 0.00 H new ATOM 0 HA CYS A 71 -12.376 -8.138 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.290 -7.186 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.366 -8.439 0.023 1.00 0.00 H new ATOM 1108 N GLN A 72 -13.962 -9.409 0.951 1.00 0.00 N ATOM 1109 CA GLN A 72 -14.991 -10.202 0.283 1.00 0.00 C ATOM 1110 C GLN A 72 -15.434 -9.588 -1.054 1.00 0.00 C ATOM 1111 O GLN A 72 -16.059 -10.272 -1.862 1.00 0.00 O ATOM 1112 CB GLN A 72 -16.223 -10.368 1.191 1.00 0.00 C ATOM 1113 CG GLN A 72 -15.905 -10.609 2.675 1.00 0.00 C ATOM 1114 CD GLN A 72 -15.761 -9.297 3.443 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -16.701 -8.514 3.521 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -14.589 -9.019 4.000 1.00 0.00 N ATOM 0 H GLN A 72 -14.339 -8.613 1.466 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.543 -11.174 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -16.841 -9.474 1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -16.819 -11.203 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -16.697 -11.208 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.983 -11.184 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.818 -9.683 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.459 -8.142 4.503 1.00 0.00 H new ATOM 1125 N GLU A 73 -15.177 -8.291 -1.266 1.00 0.00 N ATOM 1126 CA GLU A 73 -15.617 -7.562 -2.450 1.00 0.00 C ATOM 1127 C GLU A 73 -15.252 -8.241 -3.773 1.00 0.00 C ATOM 1128 O GLU A 73 -14.187 -8.835 -3.925 1.00 0.00 O ATOM 1129 CB GLU A 73 -15.042 -6.132 -2.468 1.00 0.00 C ATOM 1130 CG GLU A 73 -16.037 -5.026 -2.107 1.00 0.00 C ATOM 1131 CD GLU A 73 -17.092 -4.768 -3.187 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -17.200 -5.606 -4.110 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -17.770 -3.724 -3.082 1.00 0.00 O ATOM 0 H GLU A 73 -14.650 -7.716 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.704 -7.543 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.204 -6.086 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.643 -5.930 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.540 -5.292 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.488 -4.103 -1.920 1.00 0.00 H new ATOM 1140 N ASN A 74 -16.129 -8.030 -4.755 1.00 0.00 N ATOM 1141 CA ASN A 74 -15.975 -8.430 -6.145 1.00 0.00 C ATOM 1142 C ASN A 74 -15.444 -7.246 -6.964 1.00 0.00 C ATOM 1143 O ASN A 74 -14.794 -7.449 -7.983 1.00 0.00 O ATOM 1144 CB ASN A 74 -17.330 -8.896 -6.688 1.00 0.00 C ATOM 1145 CG ASN A 74 -17.263 -9.204 -8.180 1.00 0.00 C ATOM 1146 OD1 ASN A 74 -17.864 -8.505 -8.990 1.00 0.00 O ATOM 1147 ND2 ASN A 74 -16.541 -10.254 -8.559 1.00 0.00 N ATOM 0 H ASN A 74 -17.013 -7.549 -4.588 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.262 -9.251 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -17.653 -9.785 -6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -18.079 -8.125 -6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.475 -10.498 -9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.053 -10.816 -7.862 1.00 0.00 H new ATOM 1154 N LYS A 75 -15.719 -6.014 -6.516 1.00 0.00 N ATOM 1155 CA LYS A 75 -15.309 -4.773 -7.163 1.00 0.00 C ATOM 1156 C LYS A 75 -14.555 -3.886 -6.161 1.00 0.00 C ATOM 1157 O LYS A 75 -14.939 -2.749 -5.905 1.00 0.00 O ATOM 1158 CB LYS A 75 -16.549 -4.084 -7.763 1.00 0.00 C ATOM 1159 CG LYS A 75 -17.707 -3.952 -6.761 1.00 0.00 C ATOM 1160 CD LYS A 75 -18.835 -3.087 -7.332 1.00 0.00 C ATOM 1161 CE LYS A 75 -20.034 -3.041 -6.375 1.00 0.00 C ATOM 1162 NZ LYS A 75 -19.680 -2.464 -5.063 1.00 0.00 N ATOM 0 H LYS A 75 -16.253 -5.855 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.619 -4.975 -7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.270 -3.093 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.889 -4.651 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.093 -4.941 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.341 -3.512 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -18.468 -2.076 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.150 -3.485 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.833 -2.452 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.422 -4.050 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.545 -2.312 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.051 -3.118 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.194 -1.555 -5.203 1.00 0.00 H new ATOM 1176 N CYS A 76 -13.474 -4.406 -5.573 1.00 0.00 N ATOM 1177 CA CYS A 76 -12.688 -3.663 -4.597 1.00 0.00 C ATOM 1178 C CYS A 76 -11.752 -2.663 -5.292 1.00 0.00 C ATOM 1179 O CYS A 76 -10.941 -3.095 -6.106 1.00 0.00 O ATOM 1180 CB CYS A 76 -11.853 -4.616 -3.737 1.00 0.00 C ATOM 1181 SG CYS A 76 -11.038 -3.777 -2.361 1.00 0.00 S ATOM 0 H CYS A 76 -13.125 -5.346 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.385 -3.117 -3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.496 -5.405 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.100 -5.098 -4.361 1.00 0.00 H new ATOM 1186 N PRO A 77 -11.813 -1.356 -4.976 1.00 0.00 N ATOM 1187 CA PRO A 77 -10.911 -0.354 -5.538 1.00 0.00 C ATOM 1188 C PRO A 77 -9.426 -0.691 -5.347 1.00 0.00 C ATOM 1189 O PRO A 77 -8.611 -0.376 -6.211 1.00 0.00 O ATOM 1190 CB PRO A 77 -11.255 0.959 -4.826 1.00 0.00 C ATOM 1191 CG PRO A 77 -12.712 0.764 -4.423 1.00 0.00 C ATOM 1192 CD PRO A 77 -12.758 -0.721 -4.067 1.00 0.00 C ATOM 0 HA PRO A 77 -11.050 -0.300 -6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.616 1.126 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.131 1.819 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -12.987 1.393 -3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -13.395 1.008 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.477 -0.886 -3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.762 -1.127 -4.195 1.00 0.00 H new ATOM 1200 N VAL A 78 -9.065 -1.299 -4.208 1.00 0.00 N ATOM 1201 CA VAL A 78 -7.687 -1.664 -3.902 1.00 0.00 C ATOM 1202 C VAL A 78 -7.098 -2.491 -5.055 1.00 0.00 C ATOM 1203 O VAL A 78 -7.661 -3.533 -5.395 1.00 0.00 O ATOM 1204 CB VAL A 78 -7.616 -2.425 -2.562 1.00 0.00 C ATOM 1205 CG1 VAL A 78 -6.214 -2.983 -2.297 1.00 0.00 C ATOM 1206 CG2 VAL A 78 -7.990 -1.512 -1.386 1.00 0.00 C ATOM 0 H VAL A 78 -9.728 -1.550 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.089 -0.759 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.327 -3.248 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.207 -3.512 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.940 -3.672 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.497 -2.163 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.931 -2.076 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.299 -0.670 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.006 -1.141 -1.522 1.00 0.00 H new ATOM 1216 N PRO A 79 -5.979 -2.066 -5.667 1.00 0.00 N ATOM 1217 CA PRO A 79 -5.380 -2.799 -6.768 1.00 0.00 C ATOM 1218 C PRO A 79 -4.870 -4.155 -6.282 1.00 0.00 C ATOM 1219 O PRO A 79 -4.626 -4.345 -5.091 1.00 0.00 O ATOM 1220 CB PRO A 79 -4.252 -1.908 -7.299 1.00 0.00 C ATOM 1221 CG PRO A 79 -3.865 -1.069 -6.081 1.00 0.00 C ATOM 1222 CD PRO A 79 -5.198 -0.878 -5.359 1.00 0.00 C ATOM 0 HA PRO A 79 -6.095 -3.015 -7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.412 -2.498 -7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.588 -1.284 -8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.136 -1.581 -5.453 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.423 -0.116 -6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.051 -0.773 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.704 0.024 -5.701 1.00 0.00 H new ATOM 1230 N PHE A 80 -4.727 -5.107 -7.207 1.00 0.00 N ATOM 1231 CA PHE A 80 -4.258 -6.469 -6.962 1.00 0.00 C ATOM 1232 C PHE A 80 -5.272 -7.338 -6.204 1.00 0.00 C ATOM 1233 O PHE A 80 -5.441 -8.498 -6.573 1.00 0.00 O ATOM 1234 CB PHE A 80 -2.873 -6.491 -6.298 1.00 0.00 C ATOM 1235 CG PHE A 80 -1.812 -5.654 -6.992 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -1.204 -6.124 -8.171 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -1.411 -4.420 -6.445 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -0.198 -5.366 -8.797 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -0.412 -3.658 -7.078 1.00 0.00 C ATOM 1240 CZ PHE A 80 0.200 -4.136 -8.249 1.00 0.00 C ATOM 0 H PHE A 80 -4.945 -4.940 -8.189 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.155 -6.926 -7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.974 -6.142 -5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.526 -7.523 -6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.510 -7.068 -8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.871 -4.058 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.269 -5.730 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.116 -2.706 -6.664 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.976 -3.557 -8.727 1.00 0.00 H new ATOM 1250 N CYS A 81 -5.926 -6.799 -5.164 1.00 0.00 N ATOM 1251 CA CYS A 81 -6.904 -7.459 -4.298 1.00 0.00 C ATOM 1252 C CYS A 81 -7.653 -8.601 -4.987 1.00 0.00 C ATOM 1253 O CYS A 81 -7.475 -9.770 -4.651 1.00 0.00 O ATOM 1254 CB CYS A 81 -7.905 -6.426 -3.750 1.00 0.00 C ATOM 1255 SG CYS A 81 -9.221 -7.125 -2.725 1.00 0.00 S ATOM 0 H CYS A 81 -5.773 -5.828 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.341 -7.907 -3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.360 -5.686 -3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.358 -5.897 -4.589 1.00 0.00 H new ATOM 1260 N LEU A 82 -8.502 -8.237 -5.949 1.00 0.00 N ATOM 1261 CA LEU A 82 -9.335 -9.159 -6.700 1.00 0.00 C ATOM 1262 C LEU A 82 -8.507 -10.280 -7.315 1.00 0.00 C ATOM 1263 O LEU A 82 -8.757 -11.451 -7.050 1.00 0.00 O ATOM 1264 CB LEU A 82 -10.102 -8.373 -7.771 1.00 0.00 C ATOM 1265 CG LEU A 82 -11.058 -7.324 -7.177 1.00 0.00 C ATOM 1266 CD1 LEU A 82 -11.736 -6.575 -8.328 1.00 0.00 C ATOM 1267 CD2 LEU A 82 -12.113 -7.974 -6.271 1.00 0.00 C ATOM 0 H LEU A 82 -8.628 -7.265 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.047 -9.634 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.389 -7.876 -8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.672 -9.069 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.486 -6.631 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.418 -5.827 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.978 -6.083 -8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.295 -7.281 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.771 -7.204 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.700 -8.687 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.618 -8.493 -5.450 1.00 0.00 H new ATOM 1279 N ASN A 83 -7.508 -9.920 -8.123 1.00 0.00 N ATOM 1280 CA ASN A 83 -6.637 -10.890 -8.770 1.00 0.00 C ATOM 1281 C ASN A 83 -6.043 -11.862 -7.751 1.00 0.00 C ATOM 1282 O ASN A 83 -6.105 -13.071 -7.950 1.00 0.00 O ATOM 1283 CB ASN A 83 -5.531 -10.187 -9.560 1.00 0.00 C ATOM 1284 CG ASN A 83 -4.696 -11.210 -10.325 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -3.618 -11.595 -9.890 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -5.192 -11.661 -11.473 1.00 0.00 N ATOM 0 H ASN A 83 -7.284 -8.950 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.241 -11.467 -9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.970 -9.472 -10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.893 -9.621 -8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.671 -12.348 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.093 -11.320 -11.808 1.00 0.00 H new ATOM 1293 N ILE A 84 -5.496 -11.344 -6.649 1.00 0.00 N ATOM 1294 CA ILE A 84 -4.924 -12.188 -5.608 1.00 0.00 C ATOM 1295 C ILE A 84 -5.997 -13.133 -5.060 1.00 0.00 C ATOM 1296 O ILE A 84 -5.761 -14.337 -4.978 1.00 0.00 O ATOM 1297 CB ILE A 84 -4.251 -11.345 -4.509 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -3.052 -10.576 -5.100 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -3.786 -12.272 -3.375 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -2.413 -9.591 -4.113 1.00 0.00 C ATOM 0 H ILE A 84 -5.439 -10.344 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.133 -12.802 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.964 -10.622 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.297 -11.291 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.380 -10.031 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.309 -11.680 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.646 -12.797 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.073 -12.997 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.576 -9.085 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.154 -8.854 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.054 -10.134 -3.238 1.00 0.00 H new ATOM 1312 N LYS A 85 -7.172 -12.612 -4.696 1.00 0.00 N ATOM 1313 CA LYS A 85 -8.256 -13.442 -4.175 1.00 0.00 C ATOM 1314 C LYS A 85 -8.647 -14.532 -5.181 1.00 0.00 C ATOM 1315 O LYS A 85 -8.893 -15.670 -4.793 1.00 0.00 O ATOM 1316 CB LYS A 85 -9.461 -12.579 -3.752 1.00 0.00 C ATOM 1317 CG LYS A 85 -9.716 -12.679 -2.240 1.00 0.00 C ATOM 1318 CD LYS A 85 -10.353 -14.025 -1.859 1.00 0.00 C ATOM 1319 CE LYS A 85 -10.258 -14.296 -0.351 1.00 0.00 C ATOM 1320 NZ LYS A 85 -10.877 -13.230 0.456 1.00 0.00 N ATOM 0 H LYS A 85 -7.395 -11.618 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.898 -13.949 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.280 -11.539 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.350 -12.901 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.775 -12.557 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.370 -11.865 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.400 -14.031 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.858 -14.828 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.743 -15.246 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.210 -14.398 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.877 -13.509 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.336 -12.349 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.856 -13.079 0.139 1.00 0.00 H new ATOM 1334 N HIS A 86 -8.706 -14.191 -6.471 1.00 0.00 N ATOM 1335 CA HIS A 86 -9.045 -15.138 -7.526 1.00 0.00 C ATOM 1336 C HIS A 86 -7.966 -16.219 -7.644 1.00 0.00 C ATOM 1337 O HIS A 86 -8.287 -17.403 -7.723 1.00 0.00 O ATOM 1338 CB HIS A 86 -9.253 -14.394 -8.852 1.00 0.00 C ATOM 1339 CG HIS A 86 -10.320 -13.327 -8.792 1.00 0.00 C ATOM 1340 ND1 HIS A 86 -11.296 -13.202 -7.827 1.00 0.00 N ATOM 1341 CD2 HIS A 86 -10.429 -12.245 -9.625 1.00 0.00 C ATOM 1342 CE1 HIS A 86 -11.981 -12.076 -8.086 1.00 0.00 C ATOM 1343 NE2 HIS A 86 -11.495 -11.462 -9.176 1.00 0.00 N ATOM 0 H HIS A 86 -8.519 -13.247 -6.810 1.00 0.00 H new ATOM 0 HA HIS A 86 -9.980 -15.638 -7.273 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -8.311 -13.936 -9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -9.517 -15.116 -9.625 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -9.801 -12.034 -10.478 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.811 -11.714 -7.497 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.836 -10.596 -9.593 1.00 0.00 H new ATOM 1351 N LYS A 87 -6.692 -15.812 -7.652 1.00 0.00 N ATOM 1352 CA LYS A 87 -5.543 -16.706 -7.715 1.00 0.00 C ATOM 1353 C LYS A 87 -4.595 -16.396 -6.555 1.00 0.00 C ATOM 1354 O LYS A 87 -3.381 -16.287 -6.729 1.00 0.00 O ATOM 1355 CB LYS A 87 -4.867 -16.626 -9.095 1.00 0.00 C ATOM 1356 CG LYS A 87 -4.503 -15.191 -9.513 1.00 0.00 C ATOM 1357 CD LYS A 87 -3.539 -15.151 -10.705 1.00 0.00 C ATOM 1358 CE LYS A 87 -2.116 -15.568 -10.308 1.00 0.00 C ATOM 1359 NZ LYS A 87 -1.174 -15.384 -11.426 1.00 0.00 N ATOM 0 H LYS A 87 -6.431 -14.827 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.865 -17.741 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.963 -17.234 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.532 -17.057 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.413 -14.649 -9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.051 -14.674 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.905 -15.813 -11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.519 -14.144 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.787 -14.979 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.114 -16.612 -9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.221 -15.674 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.476 -15.965 -12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.159 -14.383 -11.706 1.00 0.00 H new TER 1373 LYS A 87 HETATM 1374 ZN ZN A 88 -7.474 10.468 2.011 1.00 0.00 ZN HETATM 1375 ZN ZN A 89 8.722 -0.154 -7.545 1.00 0.00 ZN HETATM 1376 ZN ZN A 90 -10.297 -5.674 -1.306 1.00 0.00 ZN