USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 639 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 60:sc= 0.0554 USER MOD Single : A 3 SER OG : rot -49:sc= 0.463 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.146 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.366 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.181 K(o=-0.18,f=-1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0729 K(o=-0.073,f=-1.9!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0629 (180deg=-0.417) USER MOD Single : A 40 ASN : amide:sc= -2.02 K(o=-2,f=-4) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -3.81 X(o=-3.8,f=-3.8) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -2.41 X(o=-2.4,f=-2.6) USER MOD Single : A 79 GLN :FLIP amide:sc= 0.171 F(o=-0.83,f=0.17) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.092 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.772 35.368 32.840 1.00 0.00 N ATOM 2 CA GLY A 1 -14.154 34.006 32.513 1.00 0.00 C ATOM 3 C GLY A 1 -13.860 33.654 31.068 1.00 0.00 C ATOM 4 O GLY A 1 -12.707 33.674 30.639 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.993 35.560 33.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.751 35.490 32.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.298 36.031 32.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.622 33.315 33.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.218 33.874 32.707 1.00 0.00 H new ATOM 8 N SER A 2 -14.906 33.327 30.316 1.00 0.00 N ATOM 9 CA SER A 2 -14.755 32.963 28.912 1.00 0.00 C ATOM 10 C SER A 2 -16.116 32.758 28.254 1.00 0.00 C ATOM 11 O SER A 2 -16.353 33.218 27.137 1.00 0.00 O ATOM 12 CB SER A 2 -13.916 31.690 28.781 1.00 0.00 C ATOM 13 OG SER A 2 -12.669 31.962 28.164 1.00 0.00 O ATOM 0 H SER A 2 -15.868 33.307 30.656 1.00 0.00 H new ATOM 0 HA SER A 2 -14.245 33.781 28.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.750 31.257 29.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.461 30.950 28.195 1.00 0.00 H new ATOM 0 HG SER A 2 -12.175 32.618 28.699 1.00 0.00 H new ATOM 19 N SER A 3 -17.007 32.064 28.955 1.00 0.00 N ATOM 20 CA SER A 3 -18.343 31.794 28.438 1.00 0.00 C ATOM 21 C SER A 3 -18.272 31.045 27.111 1.00 0.00 C ATOM 22 O SER A 3 -19.158 31.168 26.267 1.00 0.00 O ATOM 23 CB SER A 3 -19.117 33.102 28.257 1.00 0.00 C ATOM 24 OG SER A 3 -20.489 32.852 28.006 1.00 0.00 O ATOM 0 H SER A 3 -16.828 31.679 29.882 1.00 0.00 H new ATOM 0 HA SER A 3 -18.865 31.168 29.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.014 33.716 29.152 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.690 33.669 27.430 1.00 0.00 H new ATOM 0 HG SER A 3 -20.575 32.184 27.294 1.00 0.00 H new ATOM 30 N GLY A 4 -17.208 30.266 26.935 1.00 0.00 N ATOM 31 CA GLY A 4 -17.039 29.508 25.709 1.00 0.00 C ATOM 32 C GLY A 4 -15.612 29.039 25.510 1.00 0.00 C ATOM 33 O GLY A 4 -14.821 29.702 24.838 1.00 0.00 O ATOM 0 H GLY A 4 -16.461 30.147 27.619 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.703 28.644 25.725 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.338 30.124 24.861 1.00 0.00 H new ATOM 37 N SER A 5 -15.280 27.893 26.096 1.00 0.00 N ATOM 38 CA SER A 5 -13.936 27.338 25.984 1.00 0.00 C ATOM 39 C SER A 5 -13.732 26.678 24.624 1.00 0.00 C ATOM 40 O SER A 5 -14.540 25.854 24.194 1.00 0.00 O ATOM 41 CB SER A 5 -13.687 26.321 27.100 1.00 0.00 C ATOM 42 OG SER A 5 -12.892 26.881 28.131 1.00 0.00 O ATOM 0 H SER A 5 -15.923 27.331 26.653 1.00 0.00 H new ATOM 0 HA SER A 5 -13.222 28.156 26.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.640 25.987 27.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.191 25.441 26.691 1.00 0.00 H new ATOM 0 HG SER A 5 -12.748 26.212 28.833 1.00 0.00 H new ATOM 48 N SER A 6 -12.647 27.046 23.951 1.00 0.00 N ATOM 49 CA SER A 6 -12.337 26.493 22.638 1.00 0.00 C ATOM 50 C SER A 6 -11.032 27.071 22.099 1.00 0.00 C ATOM 51 O SER A 6 -10.579 28.126 22.539 1.00 0.00 O ATOM 52 CB SER A 6 -13.478 26.779 21.659 1.00 0.00 C ATOM 53 OG SER A 6 -13.074 26.540 20.322 1.00 0.00 O ATOM 0 H SER A 6 -11.967 27.725 24.293 1.00 0.00 H new ATOM 0 HA SER A 6 -12.220 25.414 22.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.335 26.151 21.901 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.802 27.814 21.765 1.00 0.00 H new ATOM 0 HG SER A 6 -13.821 26.728 19.716 1.00 0.00 H new ATOM 59 N GLY A 7 -10.433 26.371 21.141 1.00 0.00 N ATOM 60 CA GLY A 7 -9.186 26.828 20.556 1.00 0.00 C ATOM 61 C GLY A 7 -8.153 25.723 20.454 1.00 0.00 C ATOM 62 O GLY A 7 -8.264 24.696 21.124 1.00 0.00 O ATOM 0 H GLY A 7 -10.789 25.495 20.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.381 27.231 19.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.783 27.643 21.158 1.00 0.00 H new ATOM 66 N HIS A 8 -7.147 25.933 19.611 1.00 0.00 N ATOM 67 CA HIS A 8 -6.090 24.945 19.422 1.00 0.00 C ATOM 68 C HIS A 8 -4.786 25.417 20.057 1.00 0.00 C ATOM 69 O HIS A 8 -4.566 26.615 20.231 1.00 0.00 O ATOM 70 CB HIS A 8 -5.877 24.674 17.933 1.00 0.00 C ATOM 71 CG HIS A 8 -6.028 23.231 17.559 1.00 0.00 C ATOM 72 ND1 HIS A 8 -4.956 22.408 17.286 1.00 0.00 N ATOM 73 CD2 HIS A 8 -7.135 22.465 17.415 1.00 0.00 C ATOM 74 CE1 HIS A 8 -5.396 21.199 16.988 1.00 0.00 C ATOM 75 NE2 HIS A 8 -6.715 21.207 17.060 1.00 0.00 N ATOM 0 H HIS A 8 -7.041 26.777 19.048 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.398 24.021 19.911 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.590 25.266 17.359 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.880 25.012 17.650 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.157 22.784 17.554 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.782 20.349 16.730 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.323 20.408 16.881 1.00 0.00 H new ATOM 83 N SER A 9 -3.923 24.466 20.402 1.00 0.00 N ATOM 84 CA SER A 9 -2.642 24.784 21.022 1.00 0.00 C ATOM 85 C SER A 9 -1.616 23.690 20.742 1.00 0.00 C ATOM 86 O SER A 9 -0.876 23.275 21.633 1.00 0.00 O ATOM 87 CB SER A 9 -2.813 24.964 22.532 1.00 0.00 C ATOM 88 OG SER A 9 -4.015 25.652 22.830 1.00 0.00 O ATOM 0 H SER A 9 -4.088 23.469 20.263 1.00 0.00 H new ATOM 0 HA SER A 9 -2.279 25.717 20.591 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.818 23.989 23.019 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.964 25.517 22.934 1.00 0.00 H new ATOM 0 HG SER A 9 -4.102 25.753 23.801 1.00 0.00 H new ATOM 94 N SER A 10 -1.580 23.227 19.496 1.00 0.00 N ATOM 95 CA SER A 10 -0.648 22.179 19.097 1.00 0.00 C ATOM 96 C SER A 10 -0.308 22.290 17.614 1.00 0.00 C ATOM 97 O SER A 10 -1.188 22.487 16.777 1.00 0.00 O ATOM 98 CB SER A 10 -1.241 20.800 19.395 1.00 0.00 C ATOM 99 OG SER A 10 -0.449 20.096 20.336 1.00 0.00 O ATOM 0 H SER A 10 -2.185 23.561 18.746 1.00 0.00 H new ATOM 0 HA SER A 10 0.269 22.304 19.672 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.255 20.912 19.780 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.312 20.224 18.472 1.00 0.00 H new ATOM 0 HG SER A 10 -0.850 19.219 20.510 1.00 0.00 H new ATOM 105 N ALA A 11 0.977 22.161 17.297 1.00 0.00 N ATOM 106 CA ALA A 11 1.434 22.245 15.916 1.00 0.00 C ATOM 107 C ALA A 11 2.535 21.226 15.639 1.00 0.00 C ATOM 108 O ALA A 11 3.679 21.407 16.055 1.00 0.00 O ATOM 109 CB ALA A 11 1.925 23.651 15.607 1.00 0.00 C ATOM 0 H ALA A 11 1.719 21.998 17.978 1.00 0.00 H new ATOM 0 HA ALA A 11 0.590 22.015 15.266 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.263 23.699 14.572 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.112 24.361 15.756 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.752 23.902 16.271 1.00 0.00 H new ATOM 115 N GLN A 12 2.180 20.155 14.937 1.00 0.00 N ATOM 116 CA GLN A 12 3.138 19.106 14.607 1.00 0.00 C ATOM 117 C GLN A 12 3.639 19.258 13.174 1.00 0.00 C ATOM 118 O GLN A 12 2.945 19.806 12.318 1.00 0.00 O ATOM 119 CB GLN A 12 2.503 17.728 14.795 1.00 0.00 C ATOM 120 CG GLN A 12 1.231 17.529 13.986 1.00 0.00 C ATOM 121 CD GLN A 12 0.904 16.066 13.761 1.00 0.00 C ATOM 122 OE1 GLN A 12 1.551 15.390 12.961 1.00 0.00 O ATOM 123 NE2 GLN A 12 -0.103 15.568 14.469 1.00 0.00 N ATOM 0 H GLN A 12 1.237 19.991 14.586 1.00 0.00 H new ATOM 0 HA GLN A 12 3.989 19.200 15.282 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.226 16.962 14.514 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.278 17.582 15.852 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.399 18.008 14.502 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.337 18.026 13.022 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.612 16.165 15.121 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.367 14.589 14.361 1.00 0.00 H new ATOM 132 N PHE A 13 4.848 18.769 12.921 1.00 0.00 N ATOM 133 CA PHE A 13 5.443 18.851 11.592 1.00 0.00 C ATOM 134 C PHE A 13 6.517 17.782 11.409 1.00 0.00 C ATOM 135 O PHE A 13 7.535 17.786 12.101 1.00 0.00 O ATOM 136 CB PHE A 13 6.046 20.239 11.365 1.00 0.00 C ATOM 137 CG PHE A 13 5.930 20.717 9.946 1.00 0.00 C ATOM 138 CD1 PHE A 13 6.524 20.011 8.912 1.00 0.00 C ATOM 139 CD2 PHE A 13 5.227 21.873 9.645 1.00 0.00 C ATOM 140 CE1 PHE A 13 6.420 20.450 7.605 1.00 0.00 C ATOM 141 CE2 PHE A 13 5.119 22.316 8.341 1.00 0.00 C ATOM 142 CZ PHE A 13 5.716 21.603 7.319 1.00 0.00 C ATOM 0 H PHE A 13 5.435 18.312 13.619 1.00 0.00 H new ATOM 0 HA PHE A 13 4.656 18.679 10.858 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.551 20.954 12.023 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.098 20.220 11.649 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.074 19.108 9.130 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.758 22.434 10.440 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.889 19.892 6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.569 23.219 8.121 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.632 21.947 6.299 1.00 0.00 H new ATOM 152 N ILE A 14 6.280 16.868 10.475 1.00 0.00 N ATOM 153 CA ILE A 14 7.226 15.793 10.200 1.00 0.00 C ATOM 154 C ILE A 14 7.939 16.015 8.871 1.00 0.00 C ATOM 155 O ILE A 14 7.386 16.617 7.951 1.00 0.00 O ATOM 156 CB ILE A 14 6.527 14.421 10.173 1.00 0.00 C ATOM 157 CG1 ILE A 14 5.632 14.255 11.403 1.00 0.00 C ATOM 158 CG2 ILE A 14 7.557 13.303 10.106 1.00 0.00 C ATOM 159 CD1 ILE A 14 4.182 14.602 11.147 1.00 0.00 C ATOM 0 H ILE A 14 5.441 16.850 9.895 1.00 0.00 H new ATOM 0 HA ILE A 14 7.958 15.802 11.008 1.00 0.00 H new ATOM 0 HB ILE A 14 5.901 14.366 9.282 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.694 13.224 11.751 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.012 14.886 12.206 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.048 12.340 10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.156 13.414 9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.206 13.353 10.980 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.607 14.461 12.062 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.108 15.642 10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.785 13.954 10.366 1.00 0.00 H new ATOM 171 N ASP A 15 9.169 15.522 8.777 1.00 0.00 N ATOM 172 CA ASP A 15 9.958 15.663 7.559 1.00 0.00 C ATOM 173 C ASP A 15 11.133 14.691 7.557 1.00 0.00 C ATOM 174 O ASP A 15 12.162 14.945 6.930 1.00 0.00 O ATOM 175 CB ASP A 15 10.468 17.099 7.419 1.00 0.00 C ATOM 176 CG ASP A 15 10.776 17.737 8.759 1.00 0.00 C ATOM 177 OD1 ASP A 15 11.859 17.456 9.315 1.00 0.00 O ATOM 178 OD2 ASP A 15 9.935 18.516 9.253 1.00 0.00 O ATOM 0 H ASP A 15 9.641 15.021 9.530 1.00 0.00 H new ATOM 0 HA ASP A 15 9.315 15.430 6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.367 17.104 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.721 17.698 6.898 1.00 0.00 H new ATOM 183 N SER A 16 10.974 13.576 8.263 1.00 0.00 N ATOM 184 CA SER A 16 12.023 12.567 8.347 1.00 0.00 C ATOM 185 C SER A 16 11.506 11.207 7.889 1.00 0.00 C ATOM 186 O SER A 16 10.343 10.867 8.105 1.00 0.00 O ATOM 187 CB SER A 16 12.552 12.469 9.779 1.00 0.00 C ATOM 188 OG SER A 16 13.960 12.626 9.814 1.00 0.00 O ATOM 0 H SER A 16 10.128 13.349 8.785 1.00 0.00 H new ATOM 0 HA SER A 16 12.837 12.868 7.687 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.082 13.234 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.280 11.503 10.205 1.00 0.00 H new ATOM 0 HG SER A 16 14.273 12.561 10.740 1.00 0.00 H new ATOM 194 N TYR A 17 12.380 10.432 7.255 1.00 0.00 N ATOM 195 CA TYR A 17 12.012 9.109 6.764 1.00 0.00 C ATOM 196 C TYR A 17 12.895 8.032 7.387 1.00 0.00 C ATOM 197 O TYR A 17 14.099 7.977 7.133 1.00 0.00 O ATOM 198 CB TYR A 17 12.127 9.059 5.239 1.00 0.00 C ATOM 199 CG TYR A 17 11.513 10.254 4.546 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.185 10.601 4.761 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.262 11.037 3.676 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.621 11.692 4.129 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.706 12.131 3.041 1.00 0.00 C ATOM 204 CZ TYR A 17 10.385 12.454 3.270 1.00 0.00 C ATOM 205 OH TYR A 17 9.827 13.543 2.640 1.00 0.00 O ATOM 0 H TYR A 17 13.347 10.697 7.069 1.00 0.00 H new ATOM 0 HA TYR A 17 10.978 8.917 7.051 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.180 8.992 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.644 8.152 4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.583 10.008 5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.296 10.786 3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.587 11.947 4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.303 12.730 2.369 1.00 0.00 H new ATOM 0 HH TYR A 17 10.500 13.972 2.070 1.00 0.00 H new ATOM 215 N ILE A 18 12.287 7.178 8.203 1.00 0.00 N ATOM 216 CA ILE A 18 13.016 6.101 8.862 1.00 0.00 C ATOM 217 C ILE A 18 12.490 4.737 8.429 1.00 0.00 C ATOM 218 O ILE A 18 11.289 4.474 8.492 1.00 0.00 O ATOM 219 CB ILE A 18 12.921 6.213 10.395 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.241 7.640 10.845 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.864 5.220 11.058 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.610 8.118 10.414 1.00 0.00 C ATOM 0 H ILE A 18 11.292 7.211 8.424 1.00 0.00 H new ATOM 0 HA ILE A 18 14.060 6.197 8.563 1.00 0.00 H new ATOM 0 HB ILE A 18 11.901 5.976 10.699 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.486 8.316 10.444 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.172 7.694 11.931 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.785 5.311 12.141 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.595 4.207 10.759 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.888 5.429 10.750 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.768 9.137 10.768 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.373 7.465 10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.677 8.097 9.326 1.00 0.00 H new ATOM 234 N CYS A 19 13.398 3.871 7.992 1.00 0.00 N ATOM 235 CA CYS A 19 13.028 2.532 7.550 1.00 0.00 C ATOM 236 C CYS A 19 12.186 1.824 8.607 1.00 0.00 C ATOM 237 O CYS A 19 12.321 2.087 9.801 1.00 0.00 O ATOM 238 CB CYS A 19 14.281 1.708 7.244 1.00 0.00 C ATOM 239 SG CYS A 19 13.951 0.160 6.343 1.00 0.00 S ATOM 0 H CYS A 19 14.396 4.073 7.935 1.00 0.00 H new ATOM 0 HA CYS A 19 12.434 2.628 6.641 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.969 2.317 6.658 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.784 1.470 8.181 1.00 0.00 H new ATOM 244 N GLN A 20 11.316 0.924 8.158 1.00 0.00 N ATOM 245 CA GLN A 20 10.452 0.179 9.065 1.00 0.00 C ATOM 246 C GLN A 20 10.935 -1.260 9.218 1.00 0.00 C ATOM 247 O GLN A 20 10.165 -2.149 9.580 1.00 0.00 O ATOM 248 CB GLN A 20 9.009 0.193 8.555 1.00 0.00 C ATOM 249 CG GLN A 20 8.242 1.449 8.935 1.00 0.00 C ATOM 250 CD GLN A 20 7.672 1.383 10.338 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.611 0.313 10.946 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.249 2.528 10.861 1.00 0.00 N ATOM 0 H GLN A 20 11.191 0.694 7.172 1.00 0.00 H new ATOM 0 HA GLN A 20 10.490 0.662 10.041 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.015 0.095 7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.484 -0.677 8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.903 2.312 8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.430 1.603 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.318 3.391 10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.855 2.544 11.802 1.00 0.00 H new ATOM 261 N VAL A 21 12.216 -1.481 8.940 1.00 0.00 N ATOM 262 CA VAL A 21 12.803 -2.812 9.048 1.00 0.00 C ATOM 263 C VAL A 21 14.100 -2.777 9.847 1.00 0.00 C ATOM 264 O VAL A 21 14.348 -3.642 10.688 1.00 0.00 O ATOM 265 CB VAL A 21 13.084 -3.415 7.659 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.726 -4.787 7.793 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.802 -3.495 6.844 1.00 0.00 C ATOM 0 H VAL A 21 12.867 -0.756 8.638 1.00 0.00 H new ATOM 0 HA VAL A 21 12.077 -3.438 9.567 1.00 0.00 H new ATOM 0 HB VAL A 21 13.782 -2.763 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.917 -5.198 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.667 -4.697 8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.055 -5.451 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.019 -3.923 5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.079 -4.124 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.388 -2.495 6.718 1.00 0.00 H new ATOM 277 N CYS A 22 14.926 -1.771 9.580 1.00 0.00 N ATOM 278 CA CYS A 22 16.200 -1.622 10.274 1.00 0.00 C ATOM 279 C CYS A 22 16.220 -0.342 11.106 1.00 0.00 C ATOM 280 O CYS A 22 17.059 -0.179 11.991 1.00 0.00 O ATOM 281 CB CYS A 22 17.353 -1.608 9.269 1.00 0.00 C ATOM 282 SG CYS A 22 17.306 -0.209 8.102 1.00 0.00 S ATOM 0 H CYS A 22 14.736 -1.046 8.888 1.00 0.00 H new ATOM 0 HA CYS A 22 16.322 -2.472 10.945 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.296 -1.580 9.815 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.339 -2.540 8.703 1.00 0.00 H new ATOM 287 N SER A 23 15.289 0.561 10.814 1.00 0.00 N ATOM 288 CA SER A 23 15.202 1.827 11.531 1.00 0.00 C ATOM 289 C SER A 23 16.451 2.671 11.299 1.00 0.00 C ATOM 290 O SER A 23 17.198 2.965 12.232 1.00 0.00 O ATOM 291 CB SER A 23 15.013 1.577 13.029 1.00 0.00 C ATOM 292 OG SER A 23 14.145 0.481 13.257 1.00 0.00 O ATOM 0 H SER A 23 14.585 0.439 10.086 1.00 0.00 H new ATOM 0 HA SER A 23 14.340 2.373 11.149 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.980 1.382 13.493 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.607 2.471 13.502 1.00 0.00 H new ATOM 0 HG SER A 23 14.042 0.341 14.221 1.00 0.00 H new ATOM 298 N ARG A 24 16.670 3.059 10.047 1.00 0.00 N ATOM 299 CA ARG A 24 17.829 3.869 9.689 1.00 0.00 C ATOM 300 C ARG A 24 17.399 5.157 8.994 1.00 0.00 C ATOM 301 O ARG A 24 16.209 5.403 8.802 1.00 0.00 O ATOM 302 CB ARG A 24 18.771 3.076 8.781 1.00 0.00 C ATOM 303 CG ARG A 24 19.747 2.191 9.539 1.00 0.00 C ATOM 304 CD ARG A 24 20.818 3.013 10.238 1.00 0.00 C ATOM 305 NE ARG A 24 21.598 2.211 11.177 1.00 0.00 N ATOM 306 CZ ARG A 24 22.747 2.612 11.708 1.00 0.00 C ATOM 307 NH1 ARG A 24 23.247 3.800 11.395 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.398 1.825 12.555 1.00 0.00 N ATOM 0 H ARG A 24 16.060 2.826 9.263 1.00 0.00 H new ATOM 0 HA ARG A 24 18.355 4.131 10.607 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.178 2.456 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.333 3.772 8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.205 1.597 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.217 1.491 8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.484 3.449 9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.350 3.841 10.770 1.00 0.00 H new ATOM 0 HE ARG A 24 21.240 1.292 11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.749 4.408 10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.130 4.106 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.016 0.911 12.799 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.281 2.134 12.962 1.00 0.00 H new ATOM 322 N GLY A 25 18.377 5.977 8.620 1.00 0.00 N ATOM 323 CA GLY A 25 18.079 7.230 7.952 1.00 0.00 C ATOM 324 C GLY A 25 19.063 7.542 6.841 1.00 0.00 C ATOM 325 O GLY A 25 18.675 8.023 5.776 1.00 0.00 O ATOM 0 H GLY A 25 19.370 5.796 8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.071 7.188 7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.091 8.039 8.682 1.00 0.00 H new ATOM 329 N ASP A 26 20.339 7.271 7.090 1.00 0.00 N ATOM 330 CA ASP A 26 21.382 7.527 6.103 1.00 0.00 C ATOM 331 C ASP A 26 21.116 6.750 4.818 1.00 0.00 C ATOM 332 O ASP A 26 21.605 7.114 3.749 1.00 0.00 O ATOM 333 CB ASP A 26 22.752 7.150 6.668 1.00 0.00 C ATOM 334 CG ASP A 26 23.531 8.357 7.152 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.779 9.270 6.336 1.00 0.00 O ATOM 336 OD2 ASP A 26 23.892 8.390 8.346 1.00 0.00 O ATOM 0 H ASP A 26 20.677 6.874 7.967 1.00 0.00 H new ATOM 0 HA ASP A 26 21.375 8.592 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.621 6.451 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.328 6.633 5.901 1.00 0.00 H new ATOM 341 N GLU A 27 20.339 5.677 4.931 1.00 0.00 N ATOM 342 CA GLU A 27 20.011 4.847 3.778 1.00 0.00 C ATOM 343 C GLU A 27 18.836 5.435 3.001 1.00 0.00 C ATOM 344 O GLU A 27 18.407 4.881 1.989 1.00 0.00 O ATOM 345 CB GLU A 27 19.679 3.422 4.225 1.00 0.00 C ATOM 346 CG GLU A 27 20.904 2.548 4.431 1.00 0.00 C ATOM 347 CD GLU A 27 21.653 2.279 3.140 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.097 2.571 2.060 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.794 1.776 3.208 1.00 0.00 O ATOM 0 H GLU A 27 19.925 5.363 5.809 1.00 0.00 H new ATOM 0 HA GLU A 27 20.881 4.821 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.113 3.465 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.033 2.958 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.575 3.031 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.599 1.600 4.874 1.00 0.00 H new ATOM 356 N ASP A 28 18.320 6.560 3.484 1.00 0.00 N ATOM 357 CA ASP A 28 17.195 7.224 2.836 1.00 0.00 C ATOM 358 C ASP A 28 17.452 7.397 1.342 1.00 0.00 C ATOM 359 O ASP A 28 16.517 7.446 0.543 1.00 0.00 O ATOM 360 CB ASP A 28 16.938 8.587 3.483 1.00 0.00 C ATOM 361 CG ASP A 28 18.090 9.550 3.280 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.250 9.144 3.503 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.833 10.710 2.896 1.00 0.00 O ATOM 0 H ASP A 28 18.663 7.031 4.321 1.00 0.00 H new ATOM 0 HA ASP A 28 16.313 6.597 2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.029 9.019 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.765 8.452 4.551 1.00 0.00 H new ATOM 368 N ASP A 29 18.725 7.490 0.974 1.00 0.00 N ATOM 369 CA ASP A 29 19.106 7.658 -0.424 1.00 0.00 C ATOM 370 C ASP A 29 18.441 6.600 -1.299 1.00 0.00 C ATOM 371 O ASP A 29 18.188 6.827 -2.482 1.00 0.00 O ATOM 372 CB ASP A 29 20.626 7.579 -0.573 1.00 0.00 C ATOM 373 CG ASP A 29 21.245 8.920 -0.915 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.917 9.469 -1.989 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.055 9.422 -0.109 1.00 0.00 O ATOM 0 H ASP A 29 19.510 7.452 1.624 1.00 0.00 H new ATOM 0 HA ASP A 29 18.767 8.641 -0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.060 7.208 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.875 6.858 -1.352 1.00 0.00 H new ATOM 380 N LYS A 30 18.161 5.443 -0.709 1.00 0.00 N ATOM 381 CA LYS A 30 17.525 4.349 -1.434 1.00 0.00 C ATOM 382 C LYS A 30 16.240 3.910 -0.739 1.00 0.00 C ATOM 383 O LYS A 30 15.867 2.737 -0.784 1.00 0.00 O ATOM 384 CB LYS A 30 18.485 3.162 -1.552 1.00 0.00 C ATOM 385 CG LYS A 30 19.558 3.351 -2.610 1.00 0.00 C ATOM 386 CD LYS A 30 20.511 2.168 -2.655 1.00 0.00 C ATOM 387 CE LYS A 30 20.781 1.725 -4.085 1.00 0.00 C ATOM 388 NZ LYS A 30 21.195 2.864 -4.950 1.00 0.00 N ATOM 0 H LYS A 30 18.364 5.238 0.269 1.00 0.00 H new ATOM 0 HA LYS A 30 17.273 4.706 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.963 2.995 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.912 2.264 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.090 3.479 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.118 4.263 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.451 2.438 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.089 1.338 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.562 0.964 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.884 1.263 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.773 2.509 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.350 3.339 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.752 3.541 -4.390 1.00 0.00 H new ATOM 402 N LEU A 31 15.567 4.858 -0.097 1.00 0.00 N ATOM 403 CA LEU A 31 14.323 4.569 0.607 1.00 0.00 C ATOM 404 C LEU A 31 13.129 4.654 -0.339 1.00 0.00 C ATOM 405 O LEU A 31 13.071 5.528 -1.205 1.00 0.00 O ATOM 406 CB LEU A 31 14.134 5.544 1.772 1.00 0.00 C ATOM 407 CG LEU A 31 14.325 4.960 3.172 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.105 6.030 4.230 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.382 3.787 3.394 1.00 0.00 C ATOM 0 H LEU A 31 15.862 5.833 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 31 14.383 3.553 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.834 6.370 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.130 5.964 1.709 1.00 0.00 H new ATOM 0 HG LEU A 31 15.349 4.598 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.245 5.597 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.821 6.839 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.092 6.422 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.532 3.384 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.351 4.124 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.587 3.011 2.656 1.00 0.00 H new ATOM 421 N LEU A 32 12.179 3.742 -0.167 1.00 0.00 N ATOM 422 CA LEU A 32 10.985 3.714 -1.005 1.00 0.00 C ATOM 423 C LEU A 32 9.789 4.310 -0.268 1.00 0.00 C ATOM 424 O LEU A 32 9.750 4.327 0.962 1.00 0.00 O ATOM 425 CB LEU A 32 10.671 2.279 -1.432 1.00 0.00 C ATOM 426 CG LEU A 32 11.547 1.704 -2.546 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.950 1.422 -2.030 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.922 0.439 -3.116 1.00 0.00 C ATOM 0 H LEU A 32 12.212 3.012 0.545 1.00 0.00 H new ATOM 0 HA LEU A 32 11.180 4.316 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.759 1.634 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.631 2.237 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 32 11.618 2.442 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.559 1.013 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.398 2.348 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.899 0.702 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.559 0.043 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.821 -0.305 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.938 0.671 -3.524 1.00 0.00 H new ATOM 440 N PHE A 33 8.815 4.796 -1.030 1.00 0.00 N ATOM 441 CA PHE A 33 7.617 5.392 -0.450 1.00 0.00 C ATOM 442 C PHE A 33 6.369 4.617 -0.862 1.00 0.00 C ATOM 443 O PHE A 33 6.150 4.356 -2.046 1.00 0.00 O ATOM 444 CB PHE A 33 7.489 6.855 -0.881 1.00 0.00 C ATOM 445 CG PHE A 33 8.768 7.631 -0.754 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.465 7.653 0.443 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.273 8.341 -1.832 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.643 8.366 0.563 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.450 9.056 -1.718 1.00 0.00 C ATOM 450 CZ PHE A 33 11.136 9.069 -0.519 1.00 0.00 C ATOM 0 H PHE A 33 8.832 4.789 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 33 7.709 5.347 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.152 6.892 -1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.719 7.337 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.083 7.106 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.741 8.335 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.177 8.373 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.833 9.604 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.056 9.628 -0.428 1.00 0.00 H new ATOM 460 N CYS A 34 5.555 4.251 0.121 1.00 0.00 N ATOM 461 CA CYS A 34 4.329 3.505 -0.137 1.00 0.00 C ATOM 462 C CYS A 34 3.192 4.445 -0.529 1.00 0.00 C ATOM 463 O CYS A 34 3.035 5.521 0.049 1.00 0.00 O ATOM 464 CB CYS A 34 3.931 2.693 1.097 1.00 0.00 C ATOM 465 SG CYS A 34 2.293 1.907 0.973 1.00 0.00 S ATOM 0 H CYS A 34 5.722 4.459 1.105 1.00 0.00 H new ATOM 0 HA CYS A 34 4.517 2.824 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.681 1.921 1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.943 3.347 1.969 1.00 0.00 H new ATOM 470 N ASP A 35 2.403 4.032 -1.514 1.00 0.00 N ATOM 471 CA ASP A 35 1.280 4.835 -1.983 1.00 0.00 C ATOM 472 C ASP A 35 0.003 4.476 -1.229 1.00 0.00 C ATOM 473 O ASP A 35 -1.056 4.302 -1.829 1.00 0.00 O ATOM 474 CB ASP A 35 1.074 4.635 -3.485 1.00 0.00 C ATOM 475 CG ASP A 35 0.041 5.584 -4.059 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.119 6.693 -3.507 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.608 5.219 -5.062 1.00 0.00 O ATOM 0 H ASP A 35 2.520 3.145 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 35 1.510 5.883 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.023 4.780 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.763 3.607 -3.672 1.00 0.00 H new ATOM 482 N GLY A 36 0.112 4.367 0.092 1.00 0.00 N ATOM 483 CA GLY A 36 -1.040 4.028 0.906 1.00 0.00 C ATOM 484 C GLY A 36 -0.871 4.447 2.353 1.00 0.00 C ATOM 485 O GLY A 36 -1.819 4.911 2.987 1.00 0.00 O ATOM 0 H GLY A 36 0.978 4.508 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.927 4.509 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.210 2.952 0.860 1.00 0.00 H new ATOM 489 N CYS A 37 0.338 4.283 2.877 1.00 0.00 N ATOM 490 CA CYS A 37 0.629 4.645 4.260 1.00 0.00 C ATOM 491 C CYS A 37 1.810 5.609 4.332 1.00 0.00 C ATOM 492 O CYS A 37 2.179 6.074 5.411 1.00 0.00 O ATOM 493 CB CYS A 37 0.927 3.392 5.085 1.00 0.00 C ATOM 494 SG CYS A 37 2.429 2.501 4.568 1.00 0.00 S ATOM 0 H CYS A 37 1.133 3.901 2.365 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.249 5.142 4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.028 3.675 6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.075 2.715 5.019 1.00 0.00 H new ATOM 499 N ASP A 38 2.397 5.904 3.178 1.00 0.00 N ATOM 500 CA ASP A 38 3.535 6.814 3.110 1.00 0.00 C ATOM 501 C ASP A 38 4.623 6.397 4.095 1.00 0.00 C ATOM 502 O ASP A 38 5.029 7.180 4.954 1.00 0.00 O ATOM 503 CB ASP A 38 3.088 8.247 3.401 1.00 0.00 C ATOM 504 CG ASP A 38 4.174 9.263 3.107 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.610 9.344 1.939 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.588 9.978 4.044 1.00 0.00 O ATOM 0 H ASP A 38 2.104 5.527 2.277 1.00 0.00 H new ATOM 0 HA ASP A 38 3.946 6.768 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.207 8.478 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.793 8.327 4.447 1.00 0.00 H new ATOM 511 N ASP A 39 5.090 5.161 3.965 1.00 0.00 N ATOM 512 CA ASP A 39 6.131 4.640 4.844 1.00 0.00 C ATOM 513 C ASP A 39 7.484 4.637 4.140 1.00 0.00 C ATOM 514 O ASP A 39 7.595 5.044 2.985 1.00 0.00 O ATOM 515 CB ASP A 39 5.778 3.225 5.304 1.00 0.00 C ATOM 516 CG ASP A 39 4.948 3.218 6.572 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.357 4.269 6.900 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.888 2.163 7.237 1.00 0.00 O ATOM 0 H ASP A 39 4.765 4.500 3.259 1.00 0.00 H new ATOM 0 HA ASP A 39 6.197 5.291 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.230 2.715 4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.696 2.661 5.471 1.00 0.00 H new ATOM 523 N ASN A 40 8.512 4.175 4.846 1.00 0.00 N ATOM 524 CA ASN A 40 9.859 4.121 4.290 1.00 0.00 C ATOM 525 C ASN A 40 10.415 2.702 4.349 1.00 0.00 C ATOM 526 O ASN A 40 10.506 2.104 5.421 1.00 0.00 O ATOM 527 CB ASN A 40 10.784 5.076 5.047 1.00 0.00 C ATOM 528 CG ASN A 40 10.066 6.325 5.518 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.048 6.631 6.711 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.470 7.054 4.582 1.00 0.00 N ATOM 0 H ASN A 40 8.437 3.833 5.804 1.00 0.00 H new ATOM 0 HA ASN A 40 9.807 4.428 3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.210 4.559 5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.615 5.360 4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.971 7.906 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.511 6.762 3.605 1.00 0.00 H new ATOM 537 N TYR A 41 10.785 2.169 3.190 1.00 0.00 N ATOM 538 CA TYR A 41 11.331 0.819 3.108 1.00 0.00 C ATOM 539 C TYR A 41 12.497 0.761 2.127 1.00 0.00 C ATOM 540 O TYR A 41 12.411 1.274 1.011 1.00 0.00 O ATOM 541 CB TYR A 41 10.243 -0.168 2.683 1.00 0.00 C ATOM 542 CG TYR A 41 9.207 -0.426 3.754 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.390 -1.428 4.699 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.045 0.333 3.821 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.446 -1.667 5.678 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.096 0.101 4.798 1.00 0.00 C ATOM 547 CZ TYR A 41 7.301 -0.900 5.724 1.00 0.00 C ATOM 548 OH TYR A 41 6.358 -1.134 6.699 1.00 0.00 O ATOM 0 H TYR A 41 10.717 2.651 2.294 1.00 0.00 H new ATOM 0 HA TYR A 41 11.698 0.542 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.745 0.215 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.710 -1.113 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.286 -2.030 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.881 1.118 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.604 -2.451 6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.198 0.700 4.836 1.00 0.00 H new ATOM 0 HH TYR A 41 5.613 -0.506 6.591 1.00 0.00 H new ATOM 558 N HIS A 42 13.589 0.133 2.552 1.00 0.00 N ATOM 559 CA HIS A 42 14.774 0.006 1.712 1.00 0.00 C ATOM 560 C HIS A 42 14.584 -1.090 0.667 1.00 0.00 C ATOM 561 O HIS A 42 13.524 -1.712 0.592 1.00 0.00 O ATOM 562 CB HIS A 42 16.003 -0.299 2.569 1.00 0.00 C ATOM 563 CG HIS A 42 16.363 0.806 3.514 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.013 0.591 4.711 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.163 2.142 3.431 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.195 1.747 5.324 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.688 2.704 4.568 1.00 0.00 N ATOM 0 H HIS A 42 13.677 -0.296 3.473 1.00 0.00 H new ATOM 0 HA HIS A 42 14.926 0.954 1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.821 -1.209 3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.852 -0.498 1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.680 2.668 2.621 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.677 1.886 6.281 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.687 3.699 4.793 1.00 0.00 H new ATOM 575 N ILE A 43 15.617 -1.318 -0.138 1.00 0.00 N ATOM 576 CA ILE A 43 15.563 -2.338 -1.178 1.00 0.00 C ATOM 577 C ILE A 43 16.202 -3.640 -0.705 1.00 0.00 C ATOM 578 O ILE A 43 15.995 -4.697 -1.301 1.00 0.00 O ATOM 579 CB ILE A 43 16.270 -1.869 -2.463 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.743 -1.570 -2.180 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.574 -0.642 -3.033 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.579 -1.415 -3.432 1.00 0.00 C ATOM 0 H ILE A 43 16.500 -0.810 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 43 14.509 -2.512 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 43 16.217 -2.668 -3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.813 -0.656 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.159 -2.374 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.085 -0.323 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.538 -0.887 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.599 0.164 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.612 -1.204 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.539 -2.337 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.189 -0.592 -4.031 1.00 0.00 H new ATOM 594 N PHE A 44 16.978 -3.555 0.370 1.00 0.00 N ATOM 595 CA PHE A 44 17.647 -4.726 0.924 1.00 0.00 C ATOM 596 C PHE A 44 17.039 -5.115 2.268 1.00 0.00 C ATOM 597 O PHE A 44 17.610 -5.910 3.015 1.00 0.00 O ATOM 598 CB PHE A 44 19.144 -4.455 1.088 1.00 0.00 C ATOM 599 CG PHE A 44 19.446 -3.137 1.743 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.552 -1.981 0.986 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.623 -3.054 3.114 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.831 -0.767 1.585 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.901 -1.843 3.719 1.00 0.00 C ATOM 604 CZ PHE A 44 20.004 -0.698 2.954 1.00 0.00 C ATOM 0 H PHE A 44 17.159 -2.687 0.875 1.00 0.00 H new ATOM 0 HA PHE A 44 17.509 -5.554 0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.587 -5.256 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.620 -4.482 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.415 -2.029 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.543 -3.946 3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.914 0.126 0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.038 -1.792 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.219 0.250 3.425 1.00 0.00 H new ATOM 614 N CYS A 45 15.876 -4.548 2.571 1.00 0.00 N ATOM 615 CA CYS A 45 15.188 -4.833 3.825 1.00 0.00 C ATOM 616 C CYS A 45 13.913 -5.633 3.577 1.00 0.00 C ATOM 617 O CYS A 45 13.432 -6.345 4.459 1.00 0.00 O ATOM 618 CB CYS A 45 14.853 -3.530 4.554 1.00 0.00 C ATOM 619 SG CYS A 45 16.261 -2.790 5.441 1.00 0.00 S ATOM 0 H CYS A 45 15.390 -3.888 1.965 1.00 0.00 H new ATOM 0 HA CYS A 45 15.854 -5.430 4.449 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.474 -2.809 3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.049 -3.721 5.265 1.00 0.00 H new ATOM 624 N LEU A 46 13.370 -5.512 2.370 1.00 0.00 N ATOM 625 CA LEU A 46 12.151 -6.224 2.005 1.00 0.00 C ATOM 626 C LEU A 46 12.408 -7.723 1.896 1.00 0.00 C ATOM 627 O LEU A 46 13.468 -8.213 2.288 1.00 0.00 O ATOM 628 CB LEU A 46 11.604 -5.691 0.679 1.00 0.00 C ATOM 629 CG LEU A 46 11.549 -4.169 0.539 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.383 -3.773 -0.920 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.419 -3.596 1.381 1.00 0.00 C ATOM 0 H LEU A 46 13.755 -4.927 1.628 1.00 0.00 H new ATOM 0 HA LEU A 46 11.413 -6.057 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.217 -6.088 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.597 -6.085 0.539 1.00 0.00 H new ATOM 0 HG LEU A 46 12.490 -3.756 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.346 -2.687 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.226 -4.151 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.457 -4.197 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.395 -2.512 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.469 -4.016 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.582 -3.849 2.429 1.00 0.00 H new ATOM 643 N LEU A 47 11.432 -8.448 1.359 1.00 0.00 N ATOM 644 CA LEU A 47 11.553 -9.892 1.196 1.00 0.00 C ATOM 645 C LEU A 47 10.408 -10.442 0.351 1.00 0.00 C ATOM 646 O LEU A 47 9.269 -10.556 0.803 1.00 0.00 O ATOM 647 CB LEU A 47 11.569 -10.580 2.562 1.00 0.00 C ATOM 648 CG LEU A 47 12.538 -11.754 2.711 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.029 -11.862 4.146 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.874 -13.052 2.273 1.00 0.00 C ATOM 0 H LEU A 47 10.549 -8.059 1.029 1.00 0.00 H new ATOM 0 HA LEU A 47 12.492 -10.097 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.813 -9.835 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.562 -10.936 2.779 1.00 0.00 H new ATOM 0 HG LEU A 47 13.399 -11.574 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.717 -12.703 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.543 -10.942 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.179 -12.019 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.578 -13.877 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.995 -13.238 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.573 -12.972 1.228 1.00 0.00 H new ATOM 662 N PRO A 48 10.717 -10.794 -0.906 1.00 0.00 N ATOM 663 CA PRO A 48 12.069 -10.662 -1.456 1.00 0.00 C ATOM 664 C PRO A 48 12.472 -9.206 -1.661 1.00 0.00 C ATOM 665 O PRO A 48 11.643 -8.341 -1.945 1.00 0.00 O ATOM 666 CB PRO A 48 11.977 -11.385 -2.802 1.00 0.00 C ATOM 667 CG PRO A 48 10.538 -11.302 -3.179 1.00 0.00 C ATOM 668 CD PRO A 48 9.769 -11.347 -1.888 1.00 0.00 C ATOM 0 HA PRO A 48 12.823 -11.074 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.610 -10.910 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.305 -12.421 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.330 -10.382 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.257 -12.130 -3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.856 -10.754 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.473 -12.364 -1.632 1.00 0.00 H new ATOM 676 N PRO A 49 13.776 -8.925 -1.513 1.00 0.00 N ATOM 677 CA PRO A 49 14.318 -7.573 -1.678 1.00 0.00 C ATOM 678 C PRO A 49 14.282 -7.107 -3.129 1.00 0.00 C ATOM 679 O PRO A 49 14.033 -7.898 -4.040 1.00 0.00 O ATOM 680 CB PRO A 49 15.765 -7.710 -1.196 1.00 0.00 C ATOM 681 CG PRO A 49 16.098 -9.148 -1.403 1.00 0.00 C ATOM 682 CD PRO A 49 14.820 -9.906 -1.174 1.00 0.00 C ATOM 0 HA PRO A 49 13.739 -6.832 -1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.434 -7.063 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.862 -7.428 -0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.478 -9.319 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.874 -9.473 -0.710 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.759 -10.792 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.733 -10.245 -0.142 1.00 0.00 H new ATOM 690 N LEU A 50 14.532 -5.820 -3.339 1.00 0.00 N ATOM 691 CA LEU A 50 14.528 -5.248 -4.681 1.00 0.00 C ATOM 692 C LEU A 50 15.932 -4.817 -5.092 1.00 0.00 C ATOM 693 O LEU A 50 16.813 -4.604 -4.258 1.00 0.00 O ATOM 694 CB LEU A 50 13.576 -4.052 -4.745 1.00 0.00 C ATOM 695 CG LEU A 50 12.094 -4.384 -4.923 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.245 -3.132 -4.769 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.852 -5.031 -6.279 1.00 0.00 C ATOM 0 H LEU A 50 14.740 -5.152 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 50 14.184 -6.015 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.691 -3.472 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.886 -3.410 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 50 11.804 -5.093 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.193 -3.387 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.396 -2.710 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.536 -2.400 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.792 -5.261 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.158 -4.345 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.432 -5.951 -6.352 1.00 0.00 H new ATOM 709 N PRO A 51 16.148 -4.682 -6.409 1.00 0.00 N ATOM 710 CA PRO A 51 17.442 -4.272 -6.962 1.00 0.00 C ATOM 711 C PRO A 51 17.765 -2.813 -6.660 1.00 0.00 C ATOM 712 O PRO A 51 18.906 -2.472 -6.350 1.00 0.00 O ATOM 713 CB PRO A 51 17.267 -4.481 -8.468 1.00 0.00 C ATOM 714 CG PRO A 51 15.799 -4.370 -8.698 1.00 0.00 C ATOM 715 CD PRO A 51 15.144 -4.919 -7.461 1.00 0.00 C ATOM 0 HA PRO A 51 18.267 -4.840 -6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.815 -3.731 -9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.644 -5.455 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.508 -3.333 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.499 -4.933 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.206 -4.409 -7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.914 -5.979 -7.565 1.00 0.00 H new ATOM 723 N GLU A 52 16.753 -1.956 -6.754 1.00 0.00 N ATOM 724 CA GLU A 52 16.931 -0.533 -6.491 1.00 0.00 C ATOM 725 C GLU A 52 15.590 0.194 -6.498 1.00 0.00 C ATOM 726 O GLU A 52 14.540 -0.420 -6.693 1.00 0.00 O ATOM 727 CB GLU A 52 17.866 0.088 -7.532 1.00 0.00 C ATOM 728 CG GLU A 52 17.350 -0.025 -8.956 1.00 0.00 C ATOM 729 CD GLU A 52 18.443 0.170 -9.989 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.433 -0.591 -9.955 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.310 1.082 -10.831 1.00 0.00 O ATOM 0 H GLU A 52 15.802 -2.222 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 52 17.377 -0.426 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.017 1.140 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.840 -0.396 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.893 -1.005 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.568 0.717 -9.115 1.00 0.00 H new ATOM 738 N ILE A 53 15.632 1.505 -6.285 1.00 0.00 N ATOM 739 CA ILE A 53 14.421 2.316 -6.267 1.00 0.00 C ATOM 740 C ILE A 53 13.579 2.073 -7.515 1.00 0.00 C ATOM 741 O ILE A 53 14.074 2.094 -8.642 1.00 0.00 O ATOM 742 CB ILE A 53 14.750 3.817 -6.168 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.183 4.173 -4.744 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.548 4.651 -6.585 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.062 4.090 -3.732 1.00 0.00 C ATOM 0 H ILE A 53 16.492 2.028 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 53 13.854 2.018 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 53 15.575 4.039 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.987 3.503 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.592 5.184 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.796 5.710 -6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.280 4.413 -7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.706 4.428 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.442 4.355 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.267 4.781 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.668 3.074 -3.708 1.00 0.00 H new ATOM 757 N PRO A 54 12.274 1.838 -7.312 1.00 0.00 N ATOM 758 CA PRO A 54 11.334 1.589 -8.409 1.00 0.00 C ATOM 759 C PRO A 54 11.080 2.837 -9.249 1.00 0.00 C ATOM 760 O PRO A 54 11.519 3.932 -8.899 1.00 0.00 O ATOM 761 CB PRO A 54 10.054 1.159 -7.689 1.00 0.00 C ATOM 762 CG PRO A 54 10.151 1.782 -6.339 1.00 0.00 C ATOM 763 CD PRO A 54 11.615 1.799 -5.995 1.00 0.00 C ATOM 0 HA PRO A 54 11.714 0.847 -9.111 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.166 1.502 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.984 0.073 -7.620 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.740 2.791 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.584 1.211 -5.604 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.876 2.667 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.905 0.915 -5.427 1.00 0.00 H new ATOM 771 N ARG A 55 10.368 2.663 -10.357 1.00 0.00 N ATOM 772 CA ARG A 55 10.056 3.775 -11.247 1.00 0.00 C ATOM 773 C ARG A 55 8.677 4.350 -10.936 1.00 0.00 C ATOM 774 O ARG A 55 8.560 5.423 -10.346 1.00 0.00 O ATOM 775 CB ARG A 55 10.113 3.320 -12.706 1.00 0.00 C ATOM 776 CG ARG A 55 11.516 2.987 -13.186 1.00 0.00 C ATOM 777 CD ARG A 55 11.506 1.839 -14.184 1.00 0.00 C ATOM 778 NE ARG A 55 12.528 2.000 -15.214 1.00 0.00 N ATOM 779 CZ ARG A 55 12.561 1.288 -16.335 1.00 0.00 C ATOM 780 NH1 ARG A 55 11.633 0.370 -16.568 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.524 1.493 -17.225 1.00 0.00 N ATOM 0 H ARG A 55 9.996 1.763 -10.660 1.00 0.00 H new ATOM 0 HA ARG A 55 10.801 4.555 -11.087 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.478 2.442 -12.829 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.698 4.105 -13.339 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.962 3.868 -13.648 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.141 2.723 -12.333 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.668 0.899 -13.657 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.525 1.776 -14.654 1.00 0.00 H new ATOM 0 HE ARG A 55 13.257 2.698 -15.065 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.892 0.209 -15.886 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.660 -0.176 -17.429 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.240 2.198 -17.049 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.548 0.946 -18.085 1.00 0.00 H new ATOM 795 N GLY A 56 7.636 3.628 -11.338 1.00 0.00 N ATOM 796 CA GLY A 56 6.279 4.082 -11.094 1.00 0.00 C ATOM 797 C GLY A 56 5.926 4.087 -9.620 1.00 0.00 C ATOM 798 O GLY A 56 6.776 4.360 -8.772 1.00 0.00 O ATOM 0 H GLY A 56 7.708 2.737 -11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.157 5.087 -11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.582 3.438 -11.629 1.00 0.00 H new ATOM 802 N ILE A 57 4.668 3.786 -9.314 1.00 0.00 N ATOM 803 CA ILE A 57 4.205 3.758 -7.932 1.00 0.00 C ATOM 804 C ILE A 57 4.584 2.447 -7.252 1.00 0.00 C ATOM 805 O ILE A 57 4.347 1.366 -7.790 1.00 0.00 O ATOM 806 CB ILE A 57 2.679 3.945 -7.846 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.274 5.295 -8.444 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.212 3.838 -6.402 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.777 5.482 -8.554 1.00 0.00 C ATOM 0 H ILE A 57 3.952 3.558 -10.004 1.00 0.00 H new ATOM 0 HA ILE A 57 4.694 4.586 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 57 2.198 3.154 -8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.688 6.094 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.718 5.392 -9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.131 3.972 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.472 2.856 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.698 4.609 -5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.563 6.460 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.359 4.704 -9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.328 5.417 -7.563 1.00 0.00 H new ATOM 821 N TRP A 58 5.172 2.552 -6.065 1.00 0.00 N ATOM 822 CA TRP A 58 5.582 1.373 -5.310 1.00 0.00 C ATOM 823 C TRP A 58 4.829 1.286 -3.987 1.00 0.00 C ATOM 824 O TRP A 58 4.612 2.296 -3.318 1.00 0.00 O ATOM 825 CB TRP A 58 7.089 1.407 -5.052 1.00 0.00 C ATOM 826 CG TRP A 58 7.574 0.266 -4.209 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.079 -0.923 -4.652 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.596 0.206 -2.779 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.414 -1.718 -3.583 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.128 -1.048 -2.423 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.221 1.091 -1.764 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.292 -1.438 -1.096 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.383 0.703 -0.448 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.916 -0.552 -0.123 1.00 0.00 C ATOM 0 H TRP A 58 5.375 3.440 -5.605 1.00 0.00 H new ATOM 0 HA TRP A 58 5.342 0.490 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.614 1.392 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.345 2.346 -4.562 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.198 -1.198 -5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.811 -2.655 -3.643 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.812 2.061 -2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.701 -2.405 -0.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.094 1.378 0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.032 -0.825 0.915 1.00 0.00 H new ATOM 845 N ARG A 59 4.433 0.073 -3.615 1.00 0.00 N ATOM 846 CA ARG A 59 3.704 -0.146 -2.372 1.00 0.00 C ATOM 847 C ARG A 59 4.492 -1.052 -1.431 1.00 0.00 C ATOM 848 O ARG A 59 5.389 -1.779 -1.858 1.00 0.00 O ATOM 849 CB ARG A 59 2.334 -0.762 -2.662 1.00 0.00 C ATOM 850 CG ARG A 59 1.179 0.211 -2.485 1.00 0.00 C ATOM 851 CD ARG A 59 -0.069 -0.493 -1.975 1.00 0.00 C ATOM 852 NE ARG A 59 -1.175 -0.402 -2.924 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.433 -0.701 -2.618 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.742 -1.108 -1.395 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.384 -0.593 -3.537 1.00 0.00 N ATOM 0 H ARG A 59 4.605 -0.774 -4.157 1.00 0.00 H new ATOM 0 HA ARG A 59 3.566 0.820 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.325 -1.142 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.182 -1.617 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.467 0.996 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.961 0.696 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.159 -1.542 -1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.370 -0.053 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.971 -0.092 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.013 -1.192 -0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.708 -1.337 -1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.150 -0.280 -4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.349 -0.823 -3.301 1.00 0.00 H new ATOM 869 N CYS A 60 4.151 -1.003 -0.148 1.00 0.00 N ATOM 870 CA CYS A 60 4.827 -1.817 0.855 1.00 0.00 C ATOM 871 C CYS A 60 4.058 -3.110 1.113 1.00 0.00 C ATOM 872 O CYS A 60 2.862 -3.216 0.841 1.00 0.00 O ATOM 873 CB CYS A 60 4.980 -1.034 2.160 1.00 0.00 C ATOM 874 SG CYS A 60 3.458 -0.944 3.157 1.00 0.00 S ATOM 0 H CYS A 60 3.410 -0.408 0.222 1.00 0.00 H new ATOM 0 HA CYS A 60 5.816 -2.071 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.766 -1.495 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.309 -0.021 1.927 1.00 0.00 H new ATOM 879 N PRO A 61 4.761 -4.119 1.650 1.00 0.00 N ATOM 880 CA PRO A 61 4.166 -5.423 1.957 1.00 0.00 C ATOM 881 C PRO A 61 3.187 -5.353 3.124 1.00 0.00 C ATOM 882 O PRO A 61 2.290 -6.187 3.247 1.00 0.00 O ATOM 883 CB PRO A 61 5.375 -6.287 2.324 1.00 0.00 C ATOM 884 CG PRO A 61 6.402 -5.319 2.800 1.00 0.00 C ATOM 885 CD PRO A 61 6.190 -4.064 2.000 1.00 0.00 C ATOM 0 HA PRO A 61 3.584 -5.813 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.124 -7.011 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.733 -6.853 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.291 -5.125 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.408 -5.712 2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.427 -3.173 2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.821 -4.043 1.111 1.00 0.00 H new ATOM 893 N LYS A 62 3.365 -4.352 3.980 1.00 0.00 N ATOM 894 CA LYS A 62 2.497 -4.171 5.138 1.00 0.00 C ATOM 895 C LYS A 62 1.107 -3.712 4.709 1.00 0.00 C ATOM 896 O LYS A 62 0.142 -3.830 5.465 1.00 0.00 O ATOM 897 CB LYS A 62 3.106 -3.154 6.104 1.00 0.00 C ATOM 898 CG LYS A 62 3.880 -3.788 7.247 1.00 0.00 C ATOM 899 CD LYS A 62 3.108 -3.710 8.554 1.00 0.00 C ATOM 900 CE LYS A 62 3.743 -2.720 9.518 1.00 0.00 C ATOM 901 NZ LYS A 62 3.226 -1.339 9.315 1.00 0.00 N ATOM 0 H LYS A 62 4.103 -3.653 3.893 1.00 0.00 H new ATOM 0 HA LYS A 62 2.403 -5.132 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.771 -2.492 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.309 -2.534 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.092 -4.831 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.841 -3.285 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.078 -3.414 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.071 -4.697 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.547 -3.034 10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.825 -2.726 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.683 -0.694 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.436 -1.029 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.197 -1.328 9.467 1.00 0.00 H new ATOM 915 N CYS A 63 1.011 -3.189 3.491 1.00 0.00 N ATOM 916 CA CYS A 63 -0.260 -2.712 2.960 1.00 0.00 C ATOM 917 C CYS A 63 -0.843 -3.711 1.964 1.00 0.00 C ATOM 918 O CYS A 63 -2.045 -3.977 1.968 1.00 0.00 O ATOM 919 CB CYS A 63 -0.078 -1.351 2.287 1.00 0.00 C ATOM 920 SG CYS A 63 -0.034 0.053 3.447 1.00 0.00 S ATOM 0 H CYS A 63 1.800 -3.085 2.853 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.956 -2.607 3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.848 -1.363 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.891 -1.197 1.578 1.00 0.00 H new ATOM 925 N ILE A 64 0.018 -4.260 1.114 1.00 0.00 N ATOM 926 CA ILE A 64 -0.411 -5.230 0.114 1.00 0.00 C ATOM 927 C ILE A 64 -0.881 -6.524 0.769 1.00 0.00 C ATOM 928 O ILE A 64 -1.921 -7.074 0.405 1.00 0.00 O ATOM 929 CB ILE A 64 0.722 -5.553 -0.879 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.200 -4.276 -1.574 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.254 -6.576 -1.902 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.580 -4.399 -2.181 1.00 0.00 C ATOM 0 H ILE A 64 1.016 -4.050 1.098 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.241 -4.778 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 64 1.559 -5.978 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.490 -4.011 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.200 -3.458 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.066 -6.794 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.042 -7.492 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.597 -6.176 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.854 -3.457 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.302 -4.634 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.580 -5.195 -2.926 1.00 0.00 H new ATOM 944 N LEU A 65 -0.110 -7.004 1.738 1.00 0.00 N ATOM 945 CA LEU A 65 -0.449 -8.233 2.447 1.00 0.00 C ATOM 946 C LEU A 65 -1.728 -8.058 3.260 1.00 0.00 C ATOM 947 O LEU A 65 -2.352 -9.036 3.671 1.00 0.00 O ATOM 948 CB LEU A 65 0.701 -8.648 3.367 1.00 0.00 C ATOM 949 CG LEU A 65 2.015 -9.013 2.676 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.126 -9.189 3.700 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.847 -10.278 1.846 1.00 0.00 C ATOM 0 H LEU A 65 0.754 -6.561 2.051 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.615 -9.016 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.895 -7.833 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.375 -9.503 3.959 1.00 0.00 H new ATOM 0 HG LEU A 65 2.291 -8.197 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.053 -9.449 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.263 -8.259 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.858 -9.986 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.792 -10.523 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.547 -11.101 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.081 -10.116 1.087 1.00 0.00 H new ATOM 963 N ALA A 66 -2.113 -6.807 3.486 1.00 0.00 N ATOM 964 CA ALA A 66 -3.320 -6.504 4.245 1.00 0.00 C ATOM 965 C ALA A 66 -4.536 -6.415 3.330 1.00 0.00 C ATOM 966 O ALA A 66 -5.594 -6.964 3.635 1.00 0.00 O ATOM 967 CB ALA A 66 -3.144 -5.206 5.020 1.00 0.00 C ATOM 0 H ALA A 66 -1.606 -5.986 3.154 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.489 -7.317 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.053 -4.992 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.306 -5.305 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.947 -4.390 4.324 1.00 0.00 H new ATOM 973 N GLU A 67 -4.378 -5.719 2.208 1.00 0.00 N ATOM 974 CA GLU A 67 -5.465 -5.558 1.251 1.00 0.00 C ATOM 975 C GLU A 67 -5.726 -6.860 0.499 1.00 0.00 C ATOM 976 O GLU A 67 -6.859 -7.149 0.112 1.00 0.00 O ATOM 977 CB GLU A 67 -5.139 -4.440 0.258 1.00 0.00 C ATOM 978 CG GLU A 67 -5.373 -3.045 0.813 1.00 0.00 C ATOM 979 CD GLU A 67 -6.846 -2.706 0.935 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.505 -3.240 1.851 1.00 0.00 O ATOM 981 OE2 GLU A 67 -7.339 -1.904 0.114 1.00 0.00 O ATOM 0 H GLU A 67 -3.508 -5.258 1.940 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.365 -5.292 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.097 -4.530 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.747 -4.572 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.903 -2.964 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.888 -2.314 0.166 1.00 0.00 H new ATOM 988 N CYS A 68 -4.671 -7.641 0.297 1.00 0.00 N ATOM 989 CA CYS A 68 -4.784 -8.912 -0.410 1.00 0.00 C ATOM 990 C CYS A 68 -5.651 -9.893 0.373 1.00 0.00 C ATOM 991 O CYS A 68 -6.735 -10.272 -0.071 1.00 0.00 O ATOM 992 CB CYS A 68 -3.398 -9.513 -0.646 1.00 0.00 C ATOM 993 SG CYS A 68 -3.411 -11.034 -1.625 1.00 0.00 S ATOM 0 H CYS A 68 -3.727 -7.417 0.613 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.258 -8.724 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.774 -8.775 -1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.933 -9.718 0.318 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.194 -11.465 -1.773 1.00 0.00 H new ATOM 999 N LYS A 69 -5.166 -10.303 1.540 1.00 0.00 N ATOM 1000 CA LYS A 69 -5.894 -11.241 2.386 1.00 0.00 C ATOM 1001 C LYS A 69 -7.012 -10.533 3.145 1.00 0.00 C ATOM 1002 O LYS A 69 -6.799 -9.475 3.736 1.00 0.00 O ATOM 1003 CB LYS A 69 -4.940 -11.917 3.373 1.00 0.00 C ATOM 1004 CG LYS A 69 -4.083 -13.002 2.745 1.00 0.00 C ATOM 1005 CD LYS A 69 -4.210 -14.317 3.495 1.00 0.00 C ATOM 1006 CE LYS A 69 -4.165 -15.506 2.547 1.00 0.00 C ATOM 1007 NZ LYS A 69 -4.393 -16.793 3.260 1.00 0.00 N ATOM 0 H LYS A 69 -4.270 -10.000 1.922 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.339 -12.001 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.289 -11.161 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.520 -12.350 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.379 -13.145 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.040 -12.685 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.404 -14.401 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.146 -14.330 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.921 -15.381 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.197 -15.535 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.355 -17.578 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.657 -16.925 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.327 -16.776 3.717 1.00 0.00 H new ATOM 1021 N GLN A 70 -8.201 -11.126 3.127 1.00 0.00 N ATOM 1022 CA GLN A 70 -9.351 -10.552 3.815 1.00 0.00 C ATOM 1023 C GLN A 70 -10.357 -11.634 4.191 1.00 0.00 C ATOM 1024 O GLN A 70 -10.431 -12.692 3.565 1.00 0.00 O ATOM 1025 CB GLN A 70 -10.024 -9.497 2.936 1.00 0.00 C ATOM 1026 CG GLN A 70 -10.177 -9.922 1.484 1.00 0.00 C ATOM 1027 CD GLN A 70 -11.115 -11.102 1.318 1.00 0.00 C ATOM 1028 OE1 GLN A 70 -10.683 -12.216 1.023 1.00 0.00 O ATOM 1029 NE2 GLN A 70 -12.407 -10.862 1.507 1.00 0.00 N ATOM 0 H GLN A 70 -8.393 -12.003 2.644 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.995 -10.079 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.008 -9.270 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.441 -8.577 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.551 -9.081 0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.198 -10.181 1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.721 -9.923 1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.086 -11.617 1.409 1.00 0.00 H new ATOM 1038 N PRO A 71 -11.151 -11.367 5.238 1.00 0.00 N ATOM 1039 CA PRO A 71 -12.168 -12.307 5.721 1.00 0.00 C ATOM 1040 C PRO A 71 -13.334 -12.450 4.749 1.00 0.00 C ATOM 1041 O PRO A 71 -13.564 -11.599 3.889 1.00 0.00 O ATOM 1042 CB PRO A 71 -12.640 -11.675 7.033 1.00 0.00 C ATOM 1043 CG PRO A 71 -12.359 -10.220 6.876 1.00 0.00 C ATOM 1044 CD PRO A 71 -11.119 -10.127 6.032 1.00 0.00 C ATOM 0 HA PRO A 71 -11.769 -13.315 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.701 -11.857 7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.106 -12.091 7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.196 -9.710 6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.208 -9.745 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.132 -9.242 5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.220 -10.066 6.645 1.00 0.00 H new ATOM 1052 N PRO A 72 -14.088 -13.550 4.886 1.00 0.00 N ATOM 1053 CA PRO A 72 -15.244 -13.829 4.028 1.00 0.00 C ATOM 1054 C PRO A 72 -16.407 -12.880 4.295 1.00 0.00 C ATOM 1055 O PRO A 72 -17.370 -13.240 4.970 1.00 0.00 O ATOM 1056 CB PRO A 72 -15.627 -15.263 4.405 1.00 0.00 C ATOM 1057 CG PRO A 72 -15.121 -15.437 5.796 1.00 0.00 C ATOM 1058 CD PRO A 72 -13.872 -14.606 5.889 1.00 0.00 C ATOM 0 HA PRO A 72 -15.008 -13.699 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.706 -15.411 4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.174 -15.985 3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.863 -15.110 6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.909 -16.485 6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.740 -14.190 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.981 -15.194 5.668 1.00 0.00 H new ATOM 1066 N GLU A 73 -16.309 -11.667 3.760 1.00 0.00 N ATOM 1067 CA GLU A 73 -17.354 -10.666 3.942 1.00 0.00 C ATOM 1068 C GLU A 73 -17.001 -9.373 3.213 1.00 0.00 C ATOM 1069 O GLU A 73 -17.323 -8.279 3.676 1.00 0.00 O ATOM 1070 CB GLU A 73 -17.567 -10.383 5.431 1.00 0.00 C ATOM 1071 CG GLU A 73 -19.028 -10.231 5.818 1.00 0.00 C ATOM 1072 CD GLU A 73 -19.852 -11.457 5.478 1.00 0.00 C ATOM 1073 OE1 GLU A 73 -19.610 -12.522 6.085 1.00 0.00 O ATOM 1074 OE2 GLU A 73 -20.740 -11.353 4.606 1.00 0.00 O ATOM 0 H GLU A 73 -15.518 -11.354 3.198 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.278 -11.061 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -17.128 -11.194 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.032 -9.472 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -19.098 -10.036 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -19.447 -9.364 5.308 1.00 0.00 H new ATOM 1081 N ALA A 74 -16.337 -9.507 2.070 1.00 0.00 N ATOM 1082 CA ALA A 74 -15.941 -8.351 1.276 1.00 0.00 C ATOM 1083 C ALA A 74 -15.553 -8.764 -0.140 1.00 0.00 C ATOM 1084 O ALA A 74 -14.373 -8.932 -0.447 1.00 0.00 O ATOM 1085 CB ALA A 74 -14.790 -7.617 1.948 1.00 0.00 C ATOM 0 H ALA A 74 -16.062 -10.405 1.673 1.00 0.00 H new ATOM 0 HA ALA A 74 -16.796 -7.678 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.505 -6.756 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.101 -7.279 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.938 -8.289 2.046 1.00 0.00 H new ATOM 1091 N PHE A 75 -16.553 -8.926 -1.000 1.00 0.00 N ATOM 1092 CA PHE A 75 -16.316 -9.321 -2.383 1.00 0.00 C ATOM 1093 C PHE A 75 -15.578 -8.223 -3.143 1.00 0.00 C ATOM 1094 O PHE A 75 -14.626 -8.492 -3.874 1.00 0.00 O ATOM 1095 CB PHE A 75 -17.641 -9.638 -3.080 1.00 0.00 C ATOM 1096 CG PHE A 75 -17.526 -10.704 -4.131 1.00 0.00 C ATOM 1097 CD1 PHE A 75 -16.982 -10.415 -5.372 1.00 0.00 C ATOM 1098 CD2 PHE A 75 -17.962 -11.995 -3.879 1.00 0.00 C ATOM 1099 CE1 PHE A 75 -16.876 -11.394 -6.342 1.00 0.00 C ATOM 1100 CE2 PHE A 75 -17.857 -12.978 -4.844 1.00 0.00 C ATOM 1101 CZ PHE A 75 -17.313 -12.677 -6.077 1.00 0.00 C ATOM 0 H PHE A 75 -17.536 -8.790 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 75 -15.694 -10.216 -2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -18.369 -9.953 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.028 -8.728 -3.538 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.637 -9.414 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.389 -12.236 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.452 -11.156 -7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -18.200 -13.980 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.229 -13.444 -6.833 1.00 0.00 H new ATOM 1111 N GLY A 76 -16.027 -6.984 -2.965 1.00 0.00 N ATOM 1112 CA GLY A 76 -15.399 -5.864 -3.641 1.00 0.00 C ATOM 1113 C GLY A 76 -16.294 -5.249 -4.698 1.00 0.00 C ATOM 1114 O GLY A 76 -17.359 -5.783 -5.008 1.00 0.00 O ATOM 0 H GLY A 76 -16.814 -6.736 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.133 -5.103 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.471 -6.198 -4.105 1.00 0.00 H new ATOM 1118 N PHE A 77 -15.863 -4.121 -5.253 1.00 0.00 N ATOM 1119 CA PHE A 77 -16.635 -3.431 -6.280 1.00 0.00 C ATOM 1120 C PHE A 77 -16.140 -3.803 -7.675 1.00 0.00 C ATOM 1121 O PHE A 77 -16.916 -3.844 -8.629 1.00 0.00 O ATOM 1122 CB PHE A 77 -16.547 -1.916 -6.083 1.00 0.00 C ATOM 1123 CG PHE A 77 -17.857 -1.282 -5.712 1.00 0.00 C ATOM 1124 CD1 PHE A 77 -18.358 -1.396 -4.425 1.00 0.00 C ATOM 1125 CD2 PHE A 77 -18.588 -0.572 -6.651 1.00 0.00 C ATOM 1126 CE1 PHE A 77 -19.564 -0.815 -4.082 1.00 0.00 C ATOM 1127 CE2 PHE A 77 -19.794 0.012 -6.314 1.00 0.00 C ATOM 1128 CZ PHE A 77 -20.282 -0.109 -5.027 1.00 0.00 C ATOM 0 H PHE A 77 -14.984 -3.665 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 77 -17.675 -3.743 -6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -15.815 -1.701 -5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -16.179 -1.459 -7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -17.799 -1.945 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -18.211 -0.474 -7.658 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -19.945 -0.913 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.354 0.562 -7.055 1.00 0.00 H new ATOM 0 HZ PHE A 77 -21.224 0.348 -4.760 1.00 0.00 H new ATOM 1138 N GLU A 78 -14.843 -4.072 -7.783 1.00 0.00 N ATOM 1139 CA GLU A 78 -14.244 -4.439 -9.061 1.00 0.00 C ATOM 1140 C GLU A 78 -14.055 -5.950 -9.160 1.00 0.00 C ATOM 1141 O GLU A 78 -13.242 -6.532 -8.442 1.00 0.00 O ATOM 1142 CB GLU A 78 -12.898 -3.734 -9.240 1.00 0.00 C ATOM 1143 CG GLU A 78 -12.730 -3.081 -10.602 1.00 0.00 C ATOM 1144 CD GLU A 78 -11.305 -2.630 -10.861 1.00 0.00 C ATOM 1145 OE1 GLU A 78 -10.441 -3.501 -11.097 1.00 0.00 O ATOM 1146 OE2 GLU A 78 -11.054 -1.407 -10.827 1.00 0.00 O ATOM 0 H GLU A 78 -14.187 -4.043 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.921 -4.122 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.790 -2.974 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.096 -4.457 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.031 -3.785 -11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.398 -2.222 -10.674 1.00 0.00 H new ATOM 1153 N GLN A 79 -14.813 -6.579 -10.053 1.00 0.00 N ATOM 1154 CA GLN A 79 -14.730 -8.022 -10.244 1.00 0.00 C ATOM 1155 C GLN A 79 -13.576 -8.382 -11.174 1.00 0.00 C ATOM 1156 O GLN A 79 -12.741 -9.224 -10.845 1.00 0.00 O ATOM 1157 CB GLN A 79 -16.045 -8.559 -10.812 1.00 0.00 C ATOM 1158 CG GLN A 79 -16.795 -9.468 -9.852 1.00 0.00 C ATOM 1159 CD GLN A 79 -17.718 -8.704 -8.924 1.00 0.00 C ATOM 1160 OE1 GLN A 79 -18.661 -7.967 -9.501 1.00 0.00 O flip ATOM 1161 NE2 GLN A 79 -17.586 -8.774 -7.702 1.00 0.00 N flip ATOM 0 H GLN A 79 -15.491 -6.112 -10.655 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.547 -8.482 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.686 -7.719 -11.079 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -15.837 -9.107 -11.731 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.378 -10.191 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.077 -10.034 -9.259 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.848 -9.352 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.215 -8.254 -7.090 1.00 0.00 H new ATOM 1170 N ALA A 80 -13.536 -7.739 -12.336 1.00 0.00 N ATOM 1171 CA ALA A 80 -12.484 -7.991 -13.313 1.00 0.00 C ATOM 1172 C ALA A 80 -12.543 -9.426 -13.826 1.00 0.00 C ATOM 1173 O ALA A 80 -13.224 -10.275 -13.250 1.00 0.00 O ATOM 1174 CB ALA A 80 -11.120 -7.701 -12.706 1.00 0.00 C ATOM 0 H ALA A 80 -14.220 -7.039 -12.624 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.642 -7.324 -14.160 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.344 -7.893 -13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.074 -6.657 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.963 -8.344 -11.840 1.00 0.00 H new ATOM 1180 N THR A 81 -11.826 -9.691 -14.913 1.00 0.00 N ATOM 1181 CA THR A 81 -11.798 -11.023 -15.505 1.00 0.00 C ATOM 1182 C THR A 81 -10.404 -11.368 -16.015 1.00 0.00 C ATOM 1183 O THR A 81 -9.737 -12.251 -15.475 1.00 0.00 O ATOM 1184 CB THR A 81 -12.802 -11.142 -16.667 1.00 0.00 C ATOM 1185 OG1 THR A 81 -12.999 -9.862 -17.278 1.00 0.00 O ATOM 1186 CG2 THR A 81 -14.135 -11.687 -16.177 1.00 0.00 C ATOM 0 H THR A 81 -11.256 -9.000 -15.402 1.00 0.00 H new ATOM 0 HA THR A 81 -12.078 -11.725 -14.719 1.00 0.00 H new ATOM 0 HB THR A 81 -12.393 -11.835 -17.402 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.637 -9.947 -18.017 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.828 -11.762 -17.015 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.986 -12.674 -15.740 1.00 0.00 H new ATOM 0 HG23 THR A 81 -14.548 -11.016 -15.424 1.00 0.00 H new ATOM 1194 N GLN A 82 -9.969 -10.667 -17.057 1.00 0.00 N ATOM 1195 CA GLN A 82 -8.653 -10.902 -17.639 1.00 0.00 C ATOM 1196 C GLN A 82 -7.592 -10.052 -16.947 1.00 0.00 C ATOM 1197 O GLN A 82 -7.373 -8.898 -17.311 1.00 0.00 O ATOM 1198 CB GLN A 82 -8.672 -10.593 -19.137 1.00 0.00 C ATOM 1199 CG GLN A 82 -7.424 -11.056 -19.870 1.00 0.00 C ATOM 1200 CD GLN A 82 -7.718 -12.125 -20.905 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -8.180 -13.217 -20.572 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -7.452 -11.816 -22.168 1.00 0.00 N ATOM 0 H GLN A 82 -10.508 -9.932 -17.515 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.402 -11.953 -17.495 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.544 -11.068 -19.586 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.787 -9.518 -19.276 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.956 -10.201 -20.359 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.705 -11.443 -19.148 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.070 -10.899 -22.399 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.630 -12.495 -22.908 1.00 0.00 H new ATOM 1211 N GLU A 83 -6.937 -10.633 -15.946 1.00 0.00 N ATOM 1212 CA GLU A 83 -5.900 -9.927 -15.202 1.00 0.00 C ATOM 1213 C GLU A 83 -4.603 -9.863 -16.004 1.00 0.00 C ATOM 1214 O GLU A 83 -3.834 -10.823 -16.038 1.00 0.00 O ATOM 1215 CB GLU A 83 -5.648 -10.615 -13.859 1.00 0.00 C ATOM 1216 CG GLU A 83 -5.124 -9.677 -12.784 1.00 0.00 C ATOM 1217 CD GLU A 83 -5.085 -10.325 -11.413 1.00 0.00 C ATOM 1218 OE1 GLU A 83 -6.127 -10.860 -10.981 1.00 0.00 O ATOM 1219 OE2 GLU A 83 -4.013 -10.296 -10.773 1.00 0.00 O ATOM 0 H GLU A 83 -7.106 -11.589 -15.632 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.246 -8.909 -15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.577 -11.068 -13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.932 -11.424 -14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.121 -9.345 -13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.754 -8.788 -12.744 1.00 0.00 H new ATOM 1226 N TYR A 84 -4.369 -8.725 -16.648 1.00 0.00 N ATOM 1227 CA TYR A 84 -3.168 -8.535 -17.453 1.00 0.00 C ATOM 1228 C TYR A 84 -2.136 -7.700 -16.702 1.00 0.00 C ATOM 1229 O TYR A 84 -2.464 -6.671 -16.111 1.00 0.00 O ATOM 1230 CB TYR A 84 -3.519 -7.861 -18.780 1.00 0.00 C ATOM 1231 CG TYR A 84 -2.938 -8.561 -19.988 1.00 0.00 C ATOM 1232 CD1 TYR A 84 -1.582 -8.473 -20.280 1.00 0.00 C ATOM 1233 CD2 TYR A 84 -3.744 -9.309 -20.837 1.00 0.00 C ATOM 1234 CE1 TYR A 84 -1.047 -9.110 -21.383 1.00 0.00 C ATOM 1235 CE2 TYR A 84 -3.217 -9.951 -21.940 1.00 0.00 C ATOM 1236 CZ TYR A 84 -1.868 -9.848 -22.209 1.00 0.00 C ATOM 1237 OH TYR A 84 -1.339 -10.485 -23.309 1.00 0.00 O ATOM 0 H TYR A 84 -4.995 -7.920 -16.628 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.738 -9.516 -17.655 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.604 -7.820 -18.881 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.162 -6.831 -18.761 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.936 -7.897 -19.634 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.801 -9.390 -20.631 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.009 -9.030 -21.597 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.857 -10.531 -22.588 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.051 -10.962 -23.784 1.00 0.00 H new ATOM 1247 N SER A 85 -0.886 -8.150 -16.731 1.00 0.00 N ATOM 1248 CA SER A 85 0.196 -7.447 -16.051 1.00 0.00 C ATOM 1249 C SER A 85 1.534 -7.719 -16.733 1.00 0.00 C ATOM 1250 O SER A 85 2.244 -6.792 -17.124 1.00 0.00 O ATOM 1251 CB SER A 85 0.264 -7.870 -14.583 1.00 0.00 C ATOM 1252 OG SER A 85 -0.976 -7.651 -13.931 1.00 0.00 O ATOM 0 H SER A 85 -0.597 -8.998 -17.218 1.00 0.00 H new ATOM 0 HA SER A 85 -0.009 -6.378 -16.105 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.532 -8.925 -14.517 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.049 -7.309 -14.076 1.00 0.00 H new ATOM 0 HG SER A 85 -0.907 -7.931 -12.994 1.00 0.00 H new ATOM 1258 N LEU A 86 1.871 -8.996 -16.871 1.00 0.00 N ATOM 1259 CA LEU A 86 3.123 -9.392 -17.506 1.00 0.00 C ATOM 1260 C LEU A 86 3.120 -10.882 -17.834 1.00 0.00 C ATOM 1261 O LEU A 86 4.063 -11.602 -17.506 1.00 0.00 O ATOM 1262 CB LEU A 86 4.306 -9.062 -16.594 1.00 0.00 C ATOM 1263 CG LEU A 86 4.346 -9.797 -15.253 1.00 0.00 C ATOM 1264 CD1 LEU A 86 5.784 -10.028 -14.814 1.00 0.00 C ATOM 1265 CD2 LEU A 86 3.582 -9.017 -14.194 1.00 0.00 C ATOM 0 H LEU A 86 1.295 -9.775 -16.552 1.00 0.00 H new ATOM 0 HA LEU A 86 3.222 -8.834 -18.437 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.227 -9.282 -17.134 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.300 -7.990 -16.398 1.00 0.00 H new ATOM 0 HG LEU A 86 3.865 -10.767 -15.378 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.793 -10.552 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.301 -10.629 -15.562 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.290 -9.069 -14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.621 -9.555 -13.247 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.033 -8.032 -14.071 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.543 -8.904 -14.504 1.00 0.00 H new ATOM 1277 N SER A 87 2.054 -11.337 -18.485 1.00 0.00 N ATOM 1278 CA SER A 87 1.927 -12.741 -18.857 1.00 0.00 C ATOM 1279 C SER A 87 2.993 -13.131 -19.877 1.00 0.00 C ATOM 1280 O SER A 87 3.531 -12.282 -20.585 1.00 0.00 O ATOM 1281 CB SER A 87 0.534 -13.016 -19.427 1.00 0.00 C ATOM 1282 OG SER A 87 -0.334 -13.525 -18.429 1.00 0.00 O ATOM 0 H SER A 87 1.266 -10.753 -18.766 1.00 0.00 H new ATOM 0 HA SER A 87 2.069 -13.343 -17.960 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.119 -12.097 -19.840 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.608 -13.730 -20.248 1.00 0.00 H new ATOM 0 HG SER A 87 -1.218 -13.691 -18.818 1.00 0.00 H new ATOM 1288 N GLY A 88 3.291 -14.425 -19.946 1.00 0.00 N ATOM 1289 CA GLY A 88 4.291 -14.907 -20.882 1.00 0.00 C ATOM 1290 C GLY A 88 4.197 -16.403 -21.110 1.00 0.00 C ATOM 1291 O GLY A 88 3.643 -17.143 -20.298 1.00 0.00 O ATOM 0 H GLY A 88 2.858 -15.148 -19.371 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.173 -14.389 -21.834 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.284 -14.661 -20.506 1.00 0.00 H new ATOM 1295 N PRO A 89 4.748 -16.868 -22.241 1.00 0.00 N ATOM 1296 CA PRO A 89 4.737 -18.289 -22.601 1.00 0.00 C ATOM 1297 C PRO A 89 5.643 -19.122 -21.702 1.00 0.00 C ATOM 1298 O PRO A 89 6.810 -18.788 -21.500 1.00 0.00 O ATOM 1299 CB PRO A 89 5.260 -18.294 -24.040 1.00 0.00 C ATOM 1300 CG PRO A 89 6.084 -17.058 -24.148 1.00 0.00 C ATOM 1301 CD PRO A 89 5.426 -16.042 -23.255 1.00 0.00 C ATOM 0 HA PRO A 89 3.746 -18.730 -22.491 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.855 -19.185 -24.242 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.441 -18.288 -24.759 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.111 -17.245 -23.835 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.124 -16.704 -25.178 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.156 -15.371 -22.804 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.719 -15.421 -23.805 1.00 0.00 H new ATOM 1309 N SER A 90 5.097 -20.208 -21.164 1.00 0.00 N ATOM 1310 CA SER A 90 5.856 -21.088 -20.282 1.00 0.00 C ATOM 1311 C SER A 90 5.632 -22.551 -20.652 1.00 0.00 C ATOM 1312 O SER A 90 4.734 -22.877 -21.428 1.00 0.00 O ATOM 1313 CB SER A 90 5.458 -20.852 -18.824 1.00 0.00 C ATOM 1314 OG SER A 90 4.332 -19.996 -18.736 1.00 0.00 O ATOM 0 H SER A 90 4.133 -20.500 -21.323 1.00 0.00 H new ATOM 0 HA SER A 90 6.915 -20.858 -20.403 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.232 -21.805 -18.346 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.296 -20.414 -18.281 1.00 0.00 H new ATOM 0 HG SER A 90 4.096 -19.862 -17.794 1.00 0.00 H new ATOM 1320 N SER A 91 6.456 -23.430 -20.089 1.00 0.00 N ATOM 1321 CA SER A 91 6.352 -24.859 -20.362 1.00 0.00 C ATOM 1322 C SER A 91 6.465 -25.667 -19.073 1.00 0.00 C ATOM 1323 O SER A 91 7.165 -25.275 -18.140 1.00 0.00 O ATOM 1324 CB SER A 91 7.440 -25.292 -21.346 1.00 0.00 C ATOM 1325 OG SER A 91 8.625 -24.538 -21.161 1.00 0.00 O ATOM 0 H SER A 91 7.203 -23.178 -19.441 1.00 0.00 H new ATOM 0 HA SER A 91 5.375 -25.049 -20.806 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.655 -26.352 -21.212 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.081 -25.167 -22.368 1.00 0.00 H new ATOM 0 HG SER A 91 9.305 -24.835 -21.801 1.00 0.00 H new ATOM 1331 N GLY A 92 5.770 -26.800 -19.029 1.00 0.00 N ATOM 1332 CA GLY A 92 5.805 -27.646 -17.851 1.00 0.00 C ATOM 1333 C GLY A 92 4.509 -27.600 -17.065 1.00 0.00 C ATOM 1334 O GLY A 92 3.888 -26.541 -16.996 1.00 0.00 O ATOM 0 H GLY A 92 5.184 -27.147 -19.788 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.008 -28.674 -18.152 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.628 -27.334 -17.208 1.00 0.00 H new TER 1338 GLY A 92 HETATM 1339 ZN ZN A 201 16.153 -0.651 6.093 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 2.140 0.859 3.041 1.00 0.00 ZN