USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1021 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= -7.23! C(o=-7.2!,f=-4!) USER MOD Set 1.2: A 112 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 SER OG : rot 169:sc= 0.766 USER MOD Set 2.2: A 92 TYR OH : rot -13:sc= 2.18 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-7.5!) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.192 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0938 USER MOD Single : A 12 ASN : amide:sc= -0.616 K(o=-0.62,f=0) USER MOD Single : A 13 GLN : amide:sc= -6.33! C(o=-6.3!,f=-3.8!) USER MOD Single : A 14 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.831) USER MOD Single : A 19 ASN : amide:sc= -4.11! C(o=-4.1!,f=-5.6!) USER MOD Single : A 20 SER OG : rot 141:sc= -0.57 USER MOD Single : A 21 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.42) USER MOD Single : A 26 SER OG : rot 60:sc= 0.0398 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 146:sc= 0.43 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -15:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -9.29 K(o=-9.3,f=-11!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.111 K(o=0.11,f=-7!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -17:sc= 0.631! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-3.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -5.56 K(o=-5.6,f=-9.1!) USER MOD Single : A 79 TYR OH : rot 50:sc= -0.861 USER MOD Single : A 85 THR OG1 : rot -120:sc= -0.0514 USER MOD Single : A 90 HIS : no HD1:sc= -7.47! C(o=-7.5!,f=-7.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= -0.0679 (180deg=-0.71) USER MOD Single : A 102 ASN : amide:sc= -0.0478 X(o=-0.048,f=-0.41) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 114 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.2) USER MOD Single : A 115 LYS NZ :NH3+ -130:sc= -0.801 (180deg=-2.38!) USER MOD Single : A 123 HIS : no HD1:sc= -7.06! C(o=-7.1!,f=-4.4!) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.29) USER MOD Single : A 128 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.3!) USER MOD Single : A 132 LYS NZ :NH3+ -143:sc= -0.0573 (180deg=-1.14) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 HIS : no HD1:sc= -1 K(o=-1,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.320 -0.012 -0.006 1.00 0.00 N ATOM 2 CA ALA A 1 2.071 0.005 -1.263 1.00 0.00 C ATOM 3 C ALA A 1 2.709 -1.352 -1.472 1.00 0.00 C ATOM 4 O ALA A 1 2.309 -2.301 -0.802 1.00 0.00 O ATOM 5 CB ALA A 1 3.080 1.153 -1.249 1.00 0.00 C ATOM 0 H1 ALA A 1 0.315 0.172 -0.200 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.420 -0.943 0.446 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.691 0.723 0.630 1.00 0.00 H new ATOM 0 HA ALA A 1 1.410 0.187 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.636 1.160 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.552 2.100 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.772 1.019 -0.418 1.00 0.00 H new ATOM 13 N VAL A 2 3.703 -1.424 -2.349 1.00 0.00 N ATOM 14 CA VAL A 2 4.448 -2.640 -2.592 1.00 0.00 C ATOM 15 C VAL A 2 5.271 -3.024 -1.368 1.00 0.00 C ATOM 16 O VAL A 2 5.623 -2.168 -0.552 1.00 0.00 O ATOM 17 CB VAL A 2 5.290 -2.460 -3.855 1.00 0.00 C ATOM 18 CG1 VAL A 2 6.210 -1.245 -3.742 1.00 0.00 C ATOM 19 CG2 VAL A 2 6.081 -3.723 -4.154 1.00 0.00 C ATOM 0 H VAL A 2 4.012 -0.632 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 2 3.768 -3.474 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 2 4.612 -2.278 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.795 -1.145 -4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.610 -0.347 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.882 -1.375 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.674 -3.576 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.743 -3.944 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.394 -4.556 -4.303 1.00 0.00 H new ATOM 29 N THR A 3 5.526 -4.313 -1.214 1.00 0.00 N ATOM 30 CA THR A 3 6.312 -4.839 -0.118 1.00 0.00 C ATOM 31 C THR A 3 7.786 -4.837 -0.456 1.00 0.00 C ATOM 32 O THR A 3 8.198 -5.450 -1.425 1.00 0.00 O ATOM 33 CB THR A 3 5.776 -6.208 0.237 1.00 0.00 C ATOM 34 OG1 THR A 3 4.653 -5.965 1.055 1.00 0.00 O ATOM 35 CG2 THR A 3 6.746 -6.989 1.062 1.00 0.00 C ATOM 0 H THR A 3 5.187 -5.029 -1.856 1.00 0.00 H new ATOM 0 HA THR A 3 6.221 -4.202 0.762 1.00 0.00 H new ATOM 0 HB THR A 3 5.566 -6.770 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.252 -6.818 1.322 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.322 -7.966 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.674 -7.120 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.951 -6.452 1.988 1.00 0.00 H new ATOM 43 N TRP A 4 8.565 -4.049 0.275 1.00 0.00 N ATOM 44 CA TRP A 4 9.989 -3.947 0.061 1.00 0.00 C ATOM 45 C TRP A 4 10.688 -5.080 0.770 1.00 0.00 C ATOM 46 O TRP A 4 10.339 -5.398 1.887 1.00 0.00 O ATOM 47 CB TRP A 4 10.477 -2.580 0.519 1.00 0.00 C ATOM 48 CG TRP A 4 9.850 -1.435 -0.209 1.00 0.00 C ATOM 49 CD1 TRP A 4 8.535 -1.167 -0.347 1.00 0.00 C ATOM 50 CD2 TRP A 4 10.528 -0.384 -0.931 1.00 0.00 C ATOM 51 NE1 TRP A 4 8.354 -0.112 -1.208 1.00 0.00 N ATOM 52 CE2 TRP A 4 9.552 0.483 -1.500 1.00 0.00 C ATOM 53 CE3 TRP A 4 11.881 -0.095 -1.161 1.00 0.00 C ATOM 54 CZ2 TRP A 4 9.887 1.621 -2.239 1.00 0.00 C ATOM 55 CZ3 TRP A 4 12.237 1.029 -1.920 1.00 0.00 C ATOM 56 CH2 TRP A 4 11.252 1.884 -2.448 1.00 0.00 C ATOM 0 H TRP A 4 8.218 -3.463 1.034 1.00 0.00 H new ATOM 0 HA TRP A 4 10.223 -4.035 -1.000 1.00 0.00 H new ATOM 0 HB2 TRP A 4 10.277 -2.473 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 4 11.558 -2.530 0.391 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.740 -1.704 0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.452 0.187 -1.579 1.00 0.00 H new ATOM 0 HE3 TRP A 4 12.648 -0.737 -0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.124 2.275 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 13.280 1.241 -2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.548 2.751 -3.020 1.00 0.00 H new ATOM 67 N THR A 5 11.704 -5.675 0.197 1.00 0.00 N ATOM 68 CA THR A 5 12.401 -6.800 0.797 1.00 0.00 C ATOM 69 C THR A 5 13.863 -6.467 0.895 1.00 0.00 C ATOM 70 O THR A 5 14.458 -5.937 -0.042 1.00 0.00 O ATOM 71 CB THR A 5 12.126 -8.066 0.001 1.00 0.00 C ATOM 72 OG1 THR A 5 10.949 -8.564 0.548 1.00 0.00 O ATOM 73 CG2 THR A 5 13.170 -9.154 0.187 1.00 0.00 C ATOM 0 H THR A 5 12.079 -5.394 -0.709 1.00 0.00 H new ATOM 0 HA THR A 5 12.039 -6.989 1.807 1.00 0.00 H new ATOM 0 HB THR A 5 12.104 -7.819 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.697 -9.390 0.085 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.901 -10.023 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.144 -8.781 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.215 -9.439 1.238 1.00 0.00 H new ATOM 81 N CYS A 6 14.443 -6.742 2.062 1.00 0.00 N ATOM 82 CA CYS A 6 15.847 -6.478 2.293 1.00 0.00 C ATOM 83 C CYS A 6 16.546 -7.771 2.650 1.00 0.00 C ATOM 84 O CYS A 6 17.109 -7.845 3.738 1.00 0.00 O ATOM 85 CB CYS A 6 16.018 -5.417 3.367 1.00 0.00 C ATOM 86 SG CYS A 6 14.820 -4.081 3.283 1.00 0.00 S ATOM 0 H CYS A 6 13.954 -7.149 2.859 1.00 0.00 H new ATOM 0 HA CYS A 6 16.305 -6.085 1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.947 -5.892 4.345 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.020 -4.996 3.289 1.00 0.00 H new ATOM 91 N GLY A 7 16.453 -8.781 1.767 1.00 0.00 N ATOM 92 CA GLY A 7 17.045 -10.099 1.980 1.00 0.00 C ATOM 93 C GLY A 7 16.901 -10.566 3.426 1.00 0.00 C ATOM 94 O GLY A 7 17.889 -10.682 4.140 1.00 0.00 O ATOM 0 H GLY A 7 15.958 -8.697 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.569 -10.821 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.101 -10.069 1.713 1.00 0.00 H new ATOM 98 N GLY A 8 15.656 -10.697 3.888 1.00 0.00 N ATOM 99 CA GLY A 8 15.384 -11.091 5.257 1.00 0.00 C ATOM 100 C GLY A 8 13.898 -11.132 5.520 1.00 0.00 C ATOM 101 O GLY A 8 13.285 -12.190 5.446 1.00 0.00 O ATOM 0 H GLY A 8 14.821 -10.533 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.819 -12.071 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.860 -10.390 5.943 1.00 0.00 H new ATOM 105 N LEU A 9 13.307 -9.969 5.790 1.00 0.00 N ATOM 106 CA LEU A 9 11.877 -9.861 6.033 1.00 0.00 C ATOM 107 C LEU A 9 11.263 -8.857 5.066 1.00 0.00 C ATOM 108 O LEU A 9 11.957 -8.021 4.478 1.00 0.00 O ATOM 109 CB LEU A 9 11.637 -9.478 7.501 1.00 0.00 C ATOM 110 CG LEU A 9 11.971 -10.611 8.494 1.00 0.00 C ATOM 111 CD1 LEU A 9 12.423 -10.019 9.835 1.00 0.00 C ATOM 112 CD2 LEU A 9 10.763 -11.530 8.692 1.00 0.00 C ATOM 0 H LEU A 9 13.807 -9.082 5.845 1.00 0.00 H new ATOM 0 HA LEU A 9 11.390 -10.820 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.240 -8.603 7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.593 -9.190 7.627 1.00 0.00 H new ATOM 0 HG LEU A 9 12.785 -11.206 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.656 -10.826 10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.310 -9.405 9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.624 -9.404 10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.020 -12.322 9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.927 -10.952 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.481 -11.971 7.736 1.00 0.00 H new ATOM 124 N LEU A 10 9.949 -8.953 4.888 1.00 0.00 N ATOM 125 CA LEU A 10 9.239 -8.096 3.963 1.00 0.00 C ATOM 126 C LEU A 10 8.789 -6.863 4.731 1.00 0.00 C ATOM 127 O LEU A 10 8.163 -6.951 5.772 1.00 0.00 O ATOM 128 CB LEU A 10 8.061 -8.869 3.351 1.00 0.00 C ATOM 129 CG LEU A 10 8.389 -9.572 2.021 1.00 0.00 C ATOM 130 CD1 LEU A 10 9.482 -10.624 2.200 1.00 0.00 C ATOM 131 CD2 LEU A 10 7.136 -10.211 1.412 1.00 0.00 C ATOM 0 H LEU A 10 9.357 -9.623 5.379 1.00 0.00 H new ATOM 0 HA LEU A 10 9.874 -7.780 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.719 -9.615 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.233 -8.179 3.189 1.00 0.00 H new ATOM 0 HG LEU A 10 8.759 -8.810 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.689 -11.101 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.389 -10.147 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.149 -11.376 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.397 -10.700 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.730 -10.948 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.389 -9.440 1.224 1.00 0.00 H new ATOM 143 N TYR A 11 9.008 -5.692 4.184 1.00 0.00 N ATOM 144 CA TYR A 11 8.752 -4.398 4.745 1.00 0.00 C ATOM 145 C TYR A 11 7.708 -3.689 3.907 1.00 0.00 C ATOM 146 O TYR A 11 8.016 -3.002 2.929 1.00 0.00 O ATOM 147 CB TYR A 11 10.052 -3.599 4.790 1.00 0.00 C ATOM 148 CG TYR A 11 11.100 -4.162 5.717 1.00 0.00 C ATOM 149 CD1 TYR A 11 10.873 -4.182 7.103 1.00 0.00 C ATOM 150 CD2 TYR A 11 12.289 -4.685 5.189 1.00 0.00 C ATOM 151 CE1 TYR A 11 11.845 -4.716 7.967 1.00 0.00 C ATOM 152 CE2 TYR A 11 13.241 -5.265 6.048 1.00 0.00 C ATOM 153 CZ TYR A 11 13.017 -5.289 7.444 1.00 0.00 C ATOM 154 OH TYR A 11 13.964 -5.762 8.310 1.00 0.00 O ATOM 0 H TYR A 11 9.407 -5.620 3.248 1.00 0.00 H new ATOM 0 HA TYR A 11 8.373 -4.497 5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.466 -3.546 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.826 -2.578 5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.952 -3.787 7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.474 -4.643 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.691 -4.686 9.035 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.145 -5.693 5.640 1.00 0.00 H new ATOM 0 HH TYR A 11 14.717 -6.130 7.802 1.00 0.00 H new ATOM 164 N ASN A 12 6.438 -3.860 4.274 1.00 0.00 N ATOM 165 CA ASN A 12 5.359 -3.226 3.560 1.00 0.00 C ATOM 166 C ASN A 12 5.607 -1.741 3.539 1.00 0.00 C ATOM 167 O ASN A 12 5.745 -1.179 4.609 1.00 0.00 O ATOM 168 CB ASN A 12 4.011 -3.542 4.217 1.00 0.00 C ATOM 169 CG ASN A 12 2.958 -3.761 3.156 1.00 0.00 C ATOM 170 OD1 ASN A 12 2.238 -4.733 3.172 1.00 0.00 O ATOM 171 ND2 ASN A 12 2.828 -2.819 2.238 1.00 0.00 N ATOM 0 H ASN A 12 6.144 -4.435 5.064 1.00 0.00 H new ATOM 0 HA ASN A 12 5.321 -3.607 2.540 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.101 -4.431 4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.715 -2.722 4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.108 -2.902 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.448 -2.009 2.247 1.00 0.00 H new ATOM 178 N GLN A 13 5.596 -1.094 2.378 1.00 0.00 N ATOM 179 CA GLN A 13 5.844 0.333 2.288 1.00 0.00 C ATOM 180 C GLN A 13 4.977 1.087 3.265 1.00 0.00 C ATOM 181 O GLN A 13 5.543 1.822 4.040 1.00 0.00 O ATOM 182 CB GLN A 13 5.499 0.821 0.906 1.00 0.00 C ATOM 183 CG GLN A 13 5.591 2.362 0.801 1.00 0.00 C ATOM 184 CD GLN A 13 6.808 2.790 0.038 1.00 0.00 C ATOM 185 OE1 GLN A 13 6.813 3.587 -0.874 1.00 0.00 O ATOM 186 NE2 GLN A 13 7.871 2.093 0.295 1.00 0.00 N ATOM 0 H GLN A 13 5.416 -1.544 1.481 1.00 0.00 H new ATOM 0 HA GLN A 13 6.897 0.505 2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.174 0.366 0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.490 0.499 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.698 2.748 0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.617 2.795 1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.867 1.422 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.711 2.216 -0.271 1.00 0.00 H new ATOM 195 N ASN A 14 3.666 0.835 3.278 1.00 0.00 N ATOM 196 CA ASN A 14 2.752 1.460 4.198 1.00 0.00 C ATOM 197 C ASN A 14 3.303 1.400 5.604 1.00 0.00 C ATOM 198 O ASN A 14 3.140 2.321 6.341 1.00 0.00 O ATOM 199 CB ASN A 14 1.428 0.714 4.248 1.00 0.00 C ATOM 200 CG ASN A 14 0.262 1.632 4.563 1.00 0.00 C ATOM 201 OD1 ASN A 14 0.379 2.806 4.819 1.00 0.00 O ATOM 202 ND2 ASN A 14 -0.918 1.072 4.550 1.00 0.00 N ATOM 0 H ASN A 14 3.218 0.181 2.636 1.00 0.00 H new ATOM 0 HA ASN A 14 2.615 2.485 3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.253 0.224 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.484 -0.071 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.748 1.627 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.009 0.080 4.333 1.00 0.00 H new ATOM 209 N LYS A 15 3.945 0.319 6.015 1.00 0.00 N ATOM 210 CA LYS A 15 4.685 0.204 7.244 1.00 0.00 C ATOM 211 C LYS A 15 5.975 0.988 7.242 1.00 0.00 C ATOM 212 O LYS A 15 6.141 1.755 8.150 1.00 0.00 O ATOM 213 CB LYS A 15 4.965 -1.261 7.531 1.00 0.00 C ATOM 214 CG LYS A 15 4.124 -1.716 8.714 1.00 0.00 C ATOM 215 CD LYS A 15 3.714 -3.184 8.550 1.00 0.00 C ATOM 216 CE LYS A 15 2.192 -3.326 8.458 1.00 0.00 C ATOM 217 NZ LYS A 15 1.735 -4.545 9.166 1.00 0.00 N ATOM 0 H LYS A 15 3.960 -0.541 5.467 1.00 0.00 H new ATOM 0 HA LYS A 15 4.066 0.635 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.734 -1.865 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.024 -1.404 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.688 -1.591 9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.235 -1.091 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.175 -3.595 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.086 -3.765 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.713 -2.447 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.889 -3.372 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.946 -4.976 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.520 -5.224 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.417 -4.292 10.123 1.00 0.00 H new ATOM 231 N ALA A 16 6.856 0.866 6.268 1.00 0.00 N ATOM 232 CA ALA A 16 8.041 1.681 6.143 1.00 0.00 C ATOM 233 C ALA A 16 7.747 3.179 6.291 1.00 0.00 C ATOM 234 O ALA A 16 8.513 3.906 6.910 1.00 0.00 O ATOM 235 CB ALA A 16 8.686 1.372 4.802 1.00 0.00 C ATOM 0 H ALA A 16 6.761 0.176 5.522 1.00 0.00 H new ATOM 0 HA ALA A 16 8.725 1.438 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.585 1.976 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.951 0.315 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.985 1.602 4.000 1.00 0.00 H new ATOM 241 N GLU A 17 6.586 3.627 5.819 1.00 0.00 N ATOM 242 CA GLU A 17 6.156 4.992 5.929 1.00 0.00 C ATOM 243 C GLU A 17 5.387 5.180 7.211 1.00 0.00 C ATOM 244 O GLU A 17 5.650 6.130 7.912 1.00 0.00 O ATOM 245 CB GLU A 17 5.319 5.403 4.724 1.00 0.00 C ATOM 246 CG GLU A 17 3.964 4.712 4.677 1.00 0.00 C ATOM 247 CD GLU A 17 3.167 5.042 3.437 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.799 5.328 2.406 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.928 4.976 3.524 1.00 0.00 O ATOM 0 H GLU A 17 5.913 3.027 5.341 1.00 0.00 H new ATOM 0 HA GLU A 17 7.035 5.636 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.170 6.483 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.869 5.174 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.112 3.633 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.388 4.997 5.557 1.00 0.00 H new ATOM 256 N SER A 18 4.480 4.280 7.580 1.00 0.00 N ATOM 257 CA SER A 18 3.630 4.345 8.747 1.00 0.00 C ATOM 258 C SER A 18 4.540 4.278 9.955 1.00 0.00 C ATOM 259 O SER A 18 4.259 4.878 10.962 1.00 0.00 O ATOM 260 CB SER A 18 2.609 3.210 8.814 1.00 0.00 C ATOM 261 OG SER A 18 1.871 3.231 10.019 1.00 0.00 O ATOM 0 H SER A 18 4.315 3.436 7.032 1.00 0.00 H new ATOM 0 HA SER A 18 3.052 5.268 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.925 3.288 7.969 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.124 2.254 8.721 1.00 0.00 H new ATOM 0 HG SER A 18 1.229 2.491 10.022 1.00 0.00 H new ATOM 267 N ASN A 19 5.717 3.695 9.863 1.00 0.00 N ATOM 268 CA ASN A 19 6.661 3.591 10.931 1.00 0.00 C ATOM 269 C ASN A 19 7.288 4.946 11.157 1.00 0.00 C ATOM 270 O ASN A 19 7.218 5.492 12.252 1.00 0.00 O ATOM 271 CB ASN A 19 7.753 2.594 10.580 1.00 0.00 C ATOM 272 CG ASN A 19 8.471 2.188 11.832 1.00 0.00 C ATOM 273 OD1 ASN A 19 9.605 2.509 12.059 1.00 0.00 O ATOM 274 ND2 ASN A 19 7.867 1.375 12.653 1.00 0.00 N ATOM 0 H ASN A 19 6.046 3.265 8.999 1.00 0.00 H new ATOM 0 HA ASN A 19 6.148 3.250 11.830 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.321 1.719 10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.453 3.038 9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.358 1.021 13.474 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.903 1.093 12.474 1.00 0.00 H new ATOM 281 N SER A 20 7.827 5.530 10.078 1.00 0.00 N ATOM 282 CA SER A 20 8.421 6.852 10.140 1.00 0.00 C ATOM 283 C SER A 20 7.360 7.939 10.286 1.00 0.00 C ATOM 284 O SER A 20 7.651 9.104 10.539 1.00 0.00 O ATOM 285 CB SER A 20 9.311 7.058 8.917 1.00 0.00 C ATOM 286 OG SER A 20 9.127 8.255 8.246 1.00 0.00 O ATOM 0 H SER A 20 7.859 5.098 9.154 1.00 0.00 H new ATOM 0 HA SER A 20 9.043 6.928 11.032 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.353 6.993 9.231 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.137 6.239 8.219 1.00 0.00 H new ATOM 0 HG SER A 20 9.995 8.604 7.955 1.00 0.00 H new ATOM 292 N HIS A 21 6.090 7.584 10.080 1.00 0.00 N ATOM 293 CA HIS A 21 4.988 8.512 10.108 1.00 0.00 C ATOM 294 C HIS A 21 4.922 9.096 11.500 1.00 0.00 C ATOM 295 O HIS A 21 4.854 10.311 11.629 1.00 0.00 O ATOM 296 CB HIS A 21 3.685 7.832 9.700 1.00 0.00 C ATOM 297 CG HIS A 21 3.280 8.024 8.264 1.00 0.00 C ATOM 298 ND1 HIS A 21 1.982 7.961 7.812 1.00 0.00 N ATOM 299 CD2 HIS A 21 4.088 8.306 7.192 1.00 0.00 C ATOM 300 CE1 HIS A 21 1.994 8.192 6.484 1.00 0.00 C ATOM 301 NE2 HIS A 21 3.265 8.407 6.083 1.00 0.00 N ATOM 0 H HIS A 21 5.807 6.623 9.887 1.00 0.00 H new ATOM 0 HA HIS A 21 5.140 9.314 9.385 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.776 6.763 9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.884 8.205 10.339 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.161 8.426 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.125 8.203 5.843 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.566 8.609 5.130 1.00 0.00 H new ATOM 310 N HIS A 22 4.923 8.228 12.515 1.00 0.00 N ATOM 311 CA HIS A 22 4.865 8.649 13.894 1.00 0.00 C ATOM 312 C HIS A 22 6.201 9.226 14.319 1.00 0.00 C ATOM 313 O HIS A 22 6.195 10.252 14.989 1.00 0.00 O ATOM 314 CB HIS A 22 4.447 7.492 14.800 1.00 0.00 C ATOM 315 CG HIS A 22 3.747 6.349 14.108 1.00 0.00 C ATOM 316 ND1 HIS A 22 4.085 5.033 14.261 1.00 0.00 N ATOM 317 CD2 HIS A 22 2.719 6.411 13.206 1.00 0.00 C ATOM 318 CE1 HIS A 22 3.251 4.282 13.535 1.00 0.00 C ATOM 319 NE2 HIS A 22 2.384 5.101 12.902 1.00 0.00 N ATOM 0 H HIS A 22 4.964 7.216 12.391 1.00 0.00 H new ATOM 0 HA HIS A 22 4.109 9.429 13.990 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.335 7.104 15.298 1.00 0.00 H new ATOM 0 HB3 HIS A 22 3.790 7.881 15.578 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.850 4.681 14.836 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.260 7.304 12.810 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.268 3.204 13.466 1.00 0.00 H new ATOM 328 N ALA A 23 7.296 8.578 13.890 1.00 0.00 N ATOM 329 CA ALA A 23 8.638 9.026 14.184 1.00 0.00 C ATOM 330 C ALA A 23 8.759 10.546 14.052 1.00 0.00 C ATOM 331 O ALA A 23 8.286 11.127 13.065 1.00 0.00 O ATOM 332 CB ALA A 23 9.628 8.335 13.274 1.00 0.00 C ATOM 0 H ALA A 23 7.259 7.727 13.329 1.00 0.00 H new ATOM 0 HA ALA A 23 8.864 8.764 15.218 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.636 8.680 13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.570 7.257 13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.393 8.569 12.236 1.00 0.00 H new ATOM 338 N PRO A 24 9.314 11.196 15.078 1.00 0.00 N ATOM 339 CA PRO A 24 9.429 12.640 15.098 1.00 0.00 C ATOM 340 C PRO A 24 10.505 13.076 14.129 1.00 0.00 C ATOM 341 O PRO A 24 11.624 12.577 14.207 1.00 0.00 O ATOM 342 CB PRO A 24 9.743 13.028 16.543 1.00 0.00 C ATOM 343 CG PRO A 24 10.219 11.744 17.212 1.00 0.00 C ATOM 344 CD PRO A 24 9.873 10.594 16.278 1.00 0.00 C ATOM 0 HA PRO A 24 8.513 13.137 14.780 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.511 13.801 16.584 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.861 13.428 17.043 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.293 11.781 17.395 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.735 11.612 18.180 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.759 10.006 16.041 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.156 9.917 16.743 1.00 0.00 H new ATOM 352 N LEU A 25 10.152 13.994 13.217 1.00 0.00 N ATOM 353 CA LEU A 25 11.076 14.530 12.236 1.00 0.00 C ATOM 354 C LEU A 25 12.256 15.216 12.909 1.00 0.00 C ATOM 355 O LEU A 25 12.190 16.397 13.245 1.00 0.00 O ATOM 356 CB LEU A 25 10.326 15.442 11.254 1.00 0.00 C ATOM 357 CG LEU A 25 10.749 15.289 9.794 1.00 0.00 C ATOM 358 CD1 LEU A 25 10.946 13.834 9.401 1.00 0.00 C ATOM 359 CD2 LEU A 25 9.691 15.941 8.914 1.00 0.00 C ATOM 0 H LEU A 25 9.210 14.380 13.148 1.00 0.00 H new ATOM 0 HA LEU A 25 11.501 13.711 11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.258 15.238 11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.475 16.479 11.555 1.00 0.00 H new ATOM 0 HG LEU A 25 11.713 15.780 9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.246 13.777 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.721 13.390 10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.012 13.290 9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.977 15.841 7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.731 15.452 9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.607 16.998 9.168 1.00 0.00 H new ATOM 371 N SER A 26 13.296 14.447 13.194 1.00 0.00 N ATOM 372 CA SER A 26 14.459 14.928 13.904 1.00 0.00 C ATOM 373 C SER A 26 15.500 13.823 13.973 1.00 0.00 C ATOM 374 O SER A 26 15.201 12.658 13.701 1.00 0.00 O ATOM 375 CB SER A 26 14.097 15.425 15.318 1.00 0.00 C ATOM 376 OG SER A 26 14.223 16.837 15.443 1.00 0.00 O ATOM 0 H SER A 26 13.351 13.462 12.934 1.00 0.00 H new ATOM 0 HA SER A 26 14.868 15.779 13.360 1.00 0.00 H new ATOM 0 HB2 SER A 26 13.074 15.132 15.553 1.00 0.00 H new ATOM 0 HB3 SER A 26 14.744 14.939 16.048 1.00 0.00 H new ATOM 0 HG SER A 26 13.620 17.277 14.808 1.00 0.00 H new ATOM 382 N ASP A 27 16.712 14.196 14.357 1.00 0.00 N ATOM 383 CA ASP A 27 17.816 13.269 14.528 1.00 0.00 C ATOM 384 C ASP A 27 18.224 13.231 15.980 1.00 0.00 C ATOM 385 O ASP A 27 18.399 14.305 16.553 1.00 0.00 O ATOM 386 CB ASP A 27 19.004 13.701 13.676 1.00 0.00 C ATOM 387 CG ASP A 27 20.402 13.261 14.160 1.00 0.00 C ATOM 388 OD1 ASP A 27 20.515 12.140 14.705 1.00 0.00 O ATOM 389 OD2 ASP A 27 21.393 13.901 13.743 1.00 0.00 O ATOM 0 H ASP A 27 16.957 15.165 14.561 1.00 0.00 H new ATOM 0 HA ASP A 27 17.496 12.276 14.212 1.00 0.00 H new ATOM 0 HB2 ASP A 27 18.857 13.316 12.667 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.995 14.789 13.607 1.00 0.00 H new ATOM 394 N GLY A 28 18.387 12.021 16.533 1.00 0.00 N ATOM 395 CA GLY A 28 18.934 11.829 17.861 1.00 0.00 C ATOM 396 C GLY A 28 18.180 12.725 18.818 1.00 0.00 C ATOM 397 O GLY A 28 18.728 13.640 19.423 1.00 0.00 O ATOM 0 H GLY A 28 18.139 11.152 16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.840 10.786 18.163 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.997 12.070 17.873 1.00 0.00 H new ATOM 401 N LYS A 29 16.873 12.483 18.937 1.00 0.00 N ATOM 402 CA LYS A 29 16.008 13.257 19.812 1.00 0.00 C ATOM 403 C LYS A 29 14.843 12.419 20.289 1.00 0.00 C ATOM 404 O LYS A 29 13.728 12.895 20.482 1.00 0.00 O ATOM 405 CB LYS A 29 15.591 14.554 19.108 1.00 0.00 C ATOM 406 CG LYS A 29 16.469 15.722 19.580 1.00 0.00 C ATOM 407 CD LYS A 29 15.668 17.029 19.631 1.00 0.00 C ATOM 408 CE LYS A 29 15.880 17.740 20.973 1.00 0.00 C ATOM 409 NZ LYS A 29 15.895 19.205 20.780 1.00 0.00 N ATOM 0 H LYS A 29 16.390 11.743 18.427 1.00 0.00 H new ATOM 0 HA LYS A 29 16.548 13.548 20.713 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.682 14.435 18.028 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.543 14.769 19.318 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.874 15.501 20.568 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.318 15.838 18.906 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.976 17.682 18.815 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.608 16.818 19.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.086 17.466 21.667 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.820 17.415 21.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.039 19.674 21.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.668 19.462 20.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.988 19.511 20.373 1.00 0.00 H new ATOM 423 N THR A 30 15.100 11.147 20.513 1.00 0.00 N ATOM 424 CA THR A 30 14.057 10.199 20.886 1.00 0.00 C ATOM 425 C THR A 30 14.632 9.213 21.856 1.00 0.00 C ATOM 426 O THR A 30 15.851 9.022 21.862 1.00 0.00 O ATOM 427 CB THR A 30 13.501 9.511 19.652 1.00 0.00 C ATOM 428 OG1 THR A 30 14.630 9.207 18.929 1.00 0.00 O ATOM 429 CG2 THR A 30 12.656 10.429 18.805 1.00 0.00 C ATOM 0 H THR A 30 16.031 10.737 20.444 1.00 0.00 H new ATOM 0 HA THR A 30 13.227 10.721 21.363 1.00 0.00 H new ATOM 0 HB THR A 30 12.871 8.666 19.928 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.494 8.363 18.450 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.285 9.884 17.937 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.813 10.793 19.392 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.258 11.274 18.473 1.00 0.00 H new ATOM 437 N GLY A 31 13.774 8.643 22.713 1.00 0.00 N ATOM 438 CA GLY A 31 14.162 7.689 23.728 1.00 0.00 C ATOM 439 C GLY A 31 15.268 6.769 23.229 1.00 0.00 C ATOM 440 O GLY A 31 16.433 6.924 23.607 1.00 0.00 O ATOM 0 H GLY A 31 12.774 8.845 22.709 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.501 8.219 24.618 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.297 7.095 24.021 1.00 0.00 H new ATOM 444 N SER A 32 14.895 5.776 22.425 1.00 0.00 N ATOM 445 CA SER A 32 15.853 4.872 21.857 1.00 0.00 C ATOM 446 C SER A 32 16.954 5.631 21.163 1.00 0.00 C ATOM 447 O SER A 32 18.109 5.432 21.537 1.00 0.00 O ATOM 448 CB SER A 32 15.178 3.907 20.900 1.00 0.00 C ATOM 449 OG SER A 32 16.170 3.142 20.247 1.00 0.00 O ATOM 0 H SER A 32 13.928 5.589 22.160 1.00 0.00 H new ATOM 0 HA SER A 32 16.297 4.292 22.666 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.495 3.254 21.443 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.583 4.455 20.170 1.00 0.00 H new ATOM 0 HG SER A 32 15.747 2.405 19.760 1.00 0.00 H new ATOM 455 N SER A 33 16.593 6.405 20.134 1.00 0.00 N ATOM 456 CA SER A 33 17.526 7.222 19.362 1.00 0.00 C ATOM 457 C SER A 33 16.912 7.616 18.040 1.00 0.00 C ATOM 458 O SER A 33 16.926 8.778 17.676 1.00 0.00 O ATOM 459 CB SER A 33 18.836 6.464 19.096 1.00 0.00 C ATOM 460 OG SER A 33 19.330 6.604 17.780 1.00 0.00 O ATOM 0 H SER A 33 15.628 6.480 19.812 1.00 0.00 H new ATOM 0 HA SER A 33 17.743 8.115 19.949 1.00 0.00 H new ATOM 0 HB2 SER A 33 19.594 6.815 19.796 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.678 5.405 19.302 1.00 0.00 H new ATOM 0 HG SER A 33 20.163 6.097 17.688 1.00 0.00 H new ATOM 466 N TYR A 34 16.412 6.622 17.308 1.00 0.00 N ATOM 467 CA TYR A 34 15.811 6.819 16.026 1.00 0.00 C ATOM 468 C TYR A 34 14.573 7.716 16.118 1.00 0.00 C ATOM 469 O TYR A 34 13.827 7.544 17.078 1.00 0.00 O ATOM 470 CB TYR A 34 15.439 5.449 15.475 1.00 0.00 C ATOM 471 CG TYR A 34 16.597 4.471 15.437 1.00 0.00 C ATOM 472 CD1 TYR A 34 16.845 3.629 16.534 1.00 0.00 C ATOM 473 CD2 TYR A 34 17.403 4.373 14.295 1.00 0.00 C ATOM 474 CE1 TYR A 34 17.897 2.695 16.495 1.00 0.00 C ATOM 475 CE2 TYR A 34 18.456 3.448 14.261 1.00 0.00 C ATOM 476 CZ TYR A 34 18.709 2.612 15.352 1.00 0.00 C ATOM 477 OH TYR A 34 19.698 1.690 15.256 1.00 0.00 O ATOM 0 H TYR A 34 16.422 5.648 17.610 1.00 0.00 H new ATOM 0 HA TYR A 34 16.515 7.322 15.363 1.00 0.00 H new ATOM 0 HB2 TYR A 34 14.639 5.028 16.084 1.00 0.00 H new ATOM 0 HB3 TYR A 34 15.043 5.568 14.467 1.00 0.00 H new ATOM 0 HD1 TYR A 34 16.223 3.699 17.414 1.00 0.00 H new ATOM 0 HD2 TYR A 34 17.213 5.009 13.443 1.00 0.00 H new ATOM 0 HE1 TYR A 34 18.079 2.046 17.339 1.00 0.00 H new ATOM 0 HE2 TYR A 34 19.079 3.381 13.381 1.00 0.00 H new ATOM 0 HH TYR A 34 19.883 1.316 16.142 1.00 0.00 H new ATOM 487 N PRO A 35 14.253 8.455 15.049 1.00 0.00 N ATOM 488 CA PRO A 35 15.081 8.481 13.853 1.00 0.00 C ATOM 489 C PRO A 35 16.360 9.280 14.064 1.00 0.00 C ATOM 490 O PRO A 35 16.569 9.907 15.092 1.00 0.00 O ATOM 491 CB PRO A 35 14.234 9.066 12.740 1.00 0.00 C ATOM 492 CG PRO A 35 13.113 9.810 13.465 1.00 0.00 C ATOM 493 CD PRO A 35 13.127 9.359 14.931 1.00 0.00 C ATOM 0 HA PRO A 35 15.406 7.473 13.597 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.815 9.740 12.111 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.838 8.286 12.091 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.261 10.888 13.395 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.149 9.590 13.006 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.236 10.211 15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.195 8.861 15.197 1.00 0.00 H new ATOM 501 N HIS A 36 17.310 9.096 13.160 1.00 0.00 N ATOM 502 CA HIS A 36 18.602 9.763 13.247 1.00 0.00 C ATOM 503 C HIS A 36 19.069 10.190 11.885 1.00 0.00 C ATOM 504 O HIS A 36 18.449 9.759 10.930 1.00 0.00 O ATOM 505 CB HIS A 36 19.617 8.890 13.966 1.00 0.00 C ATOM 506 CG HIS A 36 19.865 7.540 13.353 1.00 0.00 C ATOM 507 ND1 HIS A 36 21.103 6.954 13.237 1.00 0.00 N ATOM 508 CD2 HIS A 36 18.940 6.663 12.877 1.00 0.00 C ATOM 509 CE1 HIS A 36 20.941 5.723 12.732 1.00 0.00 C ATOM 510 NE2 HIS A 36 19.631 5.522 12.536 1.00 0.00 N ATOM 0 H HIS A 36 17.209 8.484 12.350 1.00 0.00 H new ATOM 0 HA HIS A 36 18.491 10.668 13.844 1.00 0.00 H new ATOM 0 HB2 HIS A 36 20.564 9.428 14.011 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.282 8.746 14.993 1.00 0.00 H new ATOM 0 HD1 HIS A 36 21.993 7.383 13.492 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.877 6.829 12.785 1.00 0.00 H new ATOM 0 HE1 HIS A 36 21.729 5.016 12.520 1.00 0.00 H new ATOM 519 N TRP A 37 20.032 11.097 11.799 1.00 0.00 N ATOM 520 CA TRP A 37 20.549 11.548 10.523 1.00 0.00 C ATOM 521 C TRP A 37 21.139 10.356 9.785 1.00 0.00 C ATOM 522 O TRP A 37 21.858 9.548 10.368 1.00 0.00 O ATOM 523 CB TRP A 37 21.579 12.647 10.741 1.00 0.00 C ATOM 524 CG TRP A 37 22.355 13.024 9.513 1.00 0.00 C ATOM 525 CD1 TRP A 37 21.892 13.224 8.261 1.00 0.00 C ATOM 526 CD2 TRP A 37 23.773 13.239 9.417 1.00 0.00 C ATOM 527 NE1 TRP A 37 22.911 13.586 7.408 1.00 0.00 N ATOM 528 CE2 TRP A 37 24.098 13.596 8.073 1.00 0.00 C ATOM 529 CE3 TRP A 37 24.810 13.156 10.362 1.00 0.00 C ATOM 530 CZ2 TRP A 37 25.397 13.855 7.662 1.00 0.00 C ATOM 531 CZ3 TRP A 37 26.128 13.414 9.967 1.00 0.00 C ATOM 532 CH2 TRP A 37 26.400 13.749 8.630 1.00 0.00 C ATOM 0 H TRP A 37 20.472 11.536 12.608 1.00 0.00 H new ATOM 0 HA TRP A 37 19.749 11.969 9.914 1.00 0.00 H new ATOM 0 HB2 TRP A 37 21.071 13.533 11.121 1.00 0.00 H new ATOM 0 HB3 TRP A 37 22.278 12.325 11.513 1.00 0.00 H new ATOM 0 HD1 TRP A 37 20.859 13.115 7.967 1.00 0.00 H new ATOM 0 HE1 TRP A 37 22.793 13.814 6.421 1.00 0.00 H new ATOM 0 HE3 TRP A 37 24.591 12.895 11.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 25.623 14.126 6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 26.932 13.356 10.686 1.00 0.00 H new ATOM 0 HH2 TRP A 37 27.424 13.932 8.339 1.00 0.00 H new ATOM 543 N PHE A 38 20.901 10.291 8.488 1.00 0.00 N ATOM 544 CA PHE A 38 21.296 9.219 7.634 1.00 0.00 C ATOM 545 C PHE A 38 22.357 9.774 6.744 1.00 0.00 C ATOM 546 O PHE A 38 22.057 10.121 5.602 1.00 0.00 O ATOM 547 CB PHE A 38 20.108 8.751 6.794 1.00 0.00 C ATOM 548 CG PHE A 38 20.455 7.708 5.765 1.00 0.00 C ATOM 549 CD1 PHE A 38 21.144 6.549 6.133 1.00 0.00 C ATOM 550 CD2 PHE A 38 20.148 7.923 4.420 1.00 0.00 C ATOM 551 CE1 PHE A 38 21.508 5.618 5.150 1.00 0.00 C ATOM 552 CE2 PHE A 38 20.486 6.968 3.449 1.00 0.00 C ATOM 553 CZ PHE A 38 21.158 5.801 3.806 1.00 0.00 C ATOM 0 H PHE A 38 20.401 11.028 7.990 1.00 0.00 H new ATOM 0 HA PHE A 38 21.655 8.364 8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 38 19.343 8.350 7.458 1.00 0.00 H new ATOM 0 HB3 PHE A 38 19.672 9.613 6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 38 21.395 6.372 7.168 1.00 0.00 H new ATOM 0 HD2 PHE A 38 19.646 8.832 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 38 22.070 4.741 5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 38 20.223 7.139 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 38 21.403 5.055 3.064 1.00 0.00 H new ATOM 563 N THR A 39 23.580 9.881 7.266 1.00 0.00 N ATOM 564 CA THR A 39 24.756 10.304 6.519 1.00 0.00 C ATOM 565 C THR A 39 24.727 9.749 5.115 1.00 0.00 C ATOM 566 O THR A 39 25.076 10.459 4.194 1.00 0.00 O ATOM 567 CB THR A 39 26.007 9.801 7.244 1.00 0.00 C ATOM 568 OG1 THR A 39 25.835 8.420 7.520 1.00 0.00 O ATOM 569 CG2 THR A 39 26.210 10.501 8.580 1.00 0.00 C ATOM 0 H THR A 39 23.780 9.670 8.244 1.00 0.00 H new ATOM 0 HA THR A 39 24.767 11.392 6.456 1.00 0.00 H new ATOM 0 HB THR A 39 26.867 9.998 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 39 26.628 8.078 7.984 1.00 0.00 H new ATOM 0 HG21 THR A 39 27.108 10.114 9.061 1.00 0.00 H new ATOM 0 HG22 THR A 39 26.319 11.573 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 39 25.348 10.318 9.221 1.00 0.00 H new ATOM 577 N ASN A 40 24.201 8.535 4.903 1.00 0.00 N ATOM 578 CA ASN A 40 24.020 7.951 3.590 1.00 0.00 C ATOM 579 C ASN A 40 25.387 7.909 2.918 1.00 0.00 C ATOM 580 O ASN A 40 25.525 7.865 1.718 1.00 0.00 O ATOM 581 CB ASN A 40 22.992 8.728 2.748 1.00 0.00 C ATOM 582 CG ASN A 40 22.780 8.109 1.384 1.00 0.00 C ATOM 583 OD1 ASN A 40 23.011 6.935 1.143 1.00 0.00 O ATOM 584 ND2 ASN A 40 22.303 8.886 0.450 1.00 0.00 N ATOM 0 H ASN A 40 23.887 7.929 5.661 1.00 0.00 H new ATOM 0 HA ASN A 40 23.615 6.943 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 40 22.041 8.762 3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 40 23.328 9.758 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 40 22.123 8.512 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 40 22.110 9.867 0.652 1.00 0.00 H new ATOM 591 N GLY A 41 26.464 7.997 3.677 1.00 0.00 N ATOM 592 CA GLY A 41 27.774 8.138 3.146 1.00 0.00 C ATOM 593 C GLY A 41 28.382 9.497 3.459 1.00 0.00 C ATOM 594 O GLY A 41 29.572 9.563 3.756 1.00 0.00 O ATOM 0 H GLY A 41 26.434 7.970 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 41 28.414 7.354 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 41 27.743 7.997 2.066 1.00 0.00 H new ATOM 598 N TYR A 42 27.633 10.575 3.251 1.00 0.00 N ATOM 599 CA TYR A 42 28.087 11.930 3.447 1.00 0.00 C ATOM 600 C TYR A 42 28.742 12.076 4.808 1.00 0.00 C ATOM 601 O TYR A 42 28.321 11.452 5.776 1.00 0.00 O ATOM 602 CB TYR A 42 26.880 12.852 3.328 1.00 0.00 C ATOM 603 CG TYR A 42 26.151 12.768 1.998 1.00 0.00 C ATOM 604 CD1 TYR A 42 26.800 13.140 0.825 1.00 0.00 C ATOM 605 CD2 TYR A 42 24.829 12.312 1.915 1.00 0.00 C ATOM 606 CE1 TYR A 42 26.163 13.063 -0.424 1.00 0.00 C ATOM 607 CE2 TYR A 42 24.150 12.275 0.691 1.00 0.00 C ATOM 608 CZ TYR A 42 24.826 12.655 -0.476 1.00 0.00 C ATOM 609 OH TYR A 42 24.199 12.581 -1.661 1.00 0.00 O ATOM 0 H TYR A 42 26.666 10.518 2.932 1.00 0.00 H new ATOM 0 HA TYR A 42 28.831 12.192 2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 42 26.178 12.616 4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 42 27.207 13.880 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.818 13.497 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 42 24.324 11.983 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 42 26.696 13.314 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 42 23.119 11.958 0.647 1.00 0.00 H new ATOM 0 HH TYR A 42 23.276 12.281 -1.525 1.00 0.00 H new ATOM 619 N ASP A 43 29.769 12.907 4.878 1.00 0.00 N ATOM 620 CA ASP A 43 30.445 13.146 6.143 1.00 0.00 C ATOM 621 C ASP A 43 29.691 14.191 6.953 1.00 0.00 C ATOM 622 O ASP A 43 29.645 14.113 8.175 1.00 0.00 O ATOM 623 CB ASP A 43 31.854 13.689 5.895 1.00 0.00 C ATOM 624 CG ASP A 43 32.950 12.725 6.349 1.00 0.00 C ATOM 625 OD1 ASP A 43 32.790 11.500 6.136 1.00 0.00 O ATOM 626 OD2 ASP A 43 34.020 13.231 6.748 1.00 0.00 O ATOM 0 H ASP A 43 30.150 13.422 4.084 1.00 0.00 H new ATOM 0 HA ASP A 43 30.488 12.200 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 43 31.976 13.896 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 43 31.970 14.637 6.420 1.00 0.00 H new ATOM 631 N GLY A 44 29.114 15.186 6.272 1.00 0.00 N ATOM 632 CA GLY A 44 28.372 16.254 6.896 1.00 0.00 C ATOM 633 C GLY A 44 27.533 16.987 5.875 1.00 0.00 C ATOM 634 O GLY A 44 26.420 16.570 5.539 1.00 0.00 O ATOM 0 H GLY A 44 29.158 15.261 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 44 27.730 15.849 7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 44 29.060 16.950 7.376 1.00 0.00 H new ATOM 638 N ASP A 45 28.027 18.132 5.435 1.00 0.00 N ATOM 639 CA ASP A 45 27.362 18.958 4.454 1.00 0.00 C ATOM 640 C ASP A 45 27.725 18.493 3.064 1.00 0.00 C ATOM 641 O ASP A 45 28.644 17.687 2.945 1.00 0.00 O ATOM 642 CB ASP A 45 27.781 20.428 4.576 1.00 0.00 C ATOM 643 CG ASP A 45 28.592 20.771 5.819 1.00 0.00 C ATOM 644 OD1 ASP A 45 29.729 20.261 5.914 1.00 0.00 O ATOM 645 OD2 ASP A 45 28.039 21.544 6.630 1.00 0.00 O ATOM 0 H ASP A 45 28.915 18.516 5.757 1.00 0.00 H new ATOM 0 HA ASP A 45 26.290 18.871 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 45 28.365 20.697 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.884 21.047 4.565 1.00 0.00 H new ATOM 650 N GLY A 46 27.119 19.110 2.029 1.00 0.00 N ATOM 651 CA GLY A 46 27.380 18.781 0.639 1.00 0.00 C ATOM 652 C GLY A 46 27.565 17.277 0.429 1.00 0.00 C ATOM 653 O GLY A 46 27.009 16.431 1.119 1.00 0.00 O ATOM 0 H GLY A 46 26.432 19.854 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.554 19.134 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 46 28.275 19.306 0.304 1.00 0.00 H new ATOM 657 N LYS A 47 28.251 16.917 -0.644 1.00 0.00 N ATOM 658 CA LYS A 47 28.582 15.532 -0.885 1.00 0.00 C ATOM 659 C LYS A 47 29.536 14.982 0.183 1.00 0.00 C ATOM 660 O LYS A 47 29.871 15.604 1.175 1.00 0.00 O ATOM 661 CB LYS A 47 29.101 15.369 -2.307 1.00 0.00 C ATOM 662 CG LYS A 47 30.474 16.038 -2.467 1.00 0.00 C ATOM 663 CD LYS A 47 31.349 15.227 -3.425 1.00 0.00 C ATOM 664 CE LYS A 47 32.451 16.112 -4.016 1.00 0.00 C ATOM 665 NZ LYS A 47 33.782 15.666 -3.550 1.00 0.00 N ATOM 0 H LYS A 47 28.586 17.566 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 47 27.680 14.926 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.177 14.310 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 47 28.393 15.809 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 47 30.350 17.052 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 47 30.963 16.118 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.794 14.384 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.736 14.813 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 47 32.410 16.075 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 47 32.287 17.150 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 34.516 16.277 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 33.824 15.724 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 33.943 14.683 -3.849 1.00 0.00 H new ATOM 679 N LEU A 48 30.017 13.778 -0.045 1.00 0.00 N ATOM 680 CA LEU A 48 30.904 13.116 0.877 1.00 0.00 C ATOM 681 C LEU A 48 32.346 13.509 0.554 1.00 0.00 C ATOM 682 O LEU A 48 32.625 14.182 -0.456 1.00 0.00 O ATOM 683 CB LEU A 48 30.668 11.594 0.871 1.00 0.00 C ATOM 684 CG LEU A 48 29.505 11.081 0.017 1.00 0.00 C ATOM 685 CD1 LEU A 48 29.918 10.976 -1.443 1.00 0.00 C ATOM 686 CD2 LEU A 48 28.946 9.783 0.530 1.00 0.00 C ATOM 0 H LEU A 48 29.801 13.232 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 48 30.696 13.440 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 48 31.582 11.109 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 48 30.503 11.271 1.899 1.00 0.00 H new ATOM 0 HG LEU A 48 28.699 11.811 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 48 29.078 10.610 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 30.217 11.959 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 48 30.755 10.284 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 48 28.124 9.462 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 48 29.727 9.023 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 48 28.581 9.921 1.548 1.00 0.00 H new ATOM 698 N PRO A 49 33.286 13.059 1.394 1.00 0.00 N ATOM 699 CA PRO A 49 34.697 13.323 1.192 1.00 0.00 C ATOM 700 C PRO A 49 35.272 12.484 0.052 1.00 0.00 C ATOM 701 O PRO A 49 34.557 11.835 -0.723 1.00 0.00 O ATOM 702 CB PRO A 49 35.382 13.032 2.531 1.00 0.00 C ATOM 703 CG PRO A 49 34.409 12.137 3.291 1.00 0.00 C ATOM 704 CD PRO A 49 33.071 12.230 2.572 1.00 0.00 C ATOM 0 HA PRO A 49 34.865 14.357 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 49 36.341 12.535 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 49 35.581 13.952 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 49 34.766 11.107 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 49 34.314 12.462 4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 49 32.714 11.240 2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 49 32.313 12.668 3.221 1.00 0.00 H new ATOM 712 N LYS A 50 36.592 12.594 -0.151 1.00 0.00 N ATOM 713 CA LYS A 50 37.285 11.820 -1.162 1.00 0.00 C ATOM 714 C LYS A 50 37.273 10.336 -0.777 1.00 0.00 C ATOM 715 O LYS A 50 38.142 9.876 -0.047 1.00 0.00 O ATOM 716 CB LYS A 50 38.675 12.410 -1.403 1.00 0.00 C ATOM 717 CG LYS A 50 39.602 11.394 -2.085 1.00 0.00 C ATOM 718 CD LYS A 50 40.860 12.060 -2.623 1.00 0.00 C ATOM 719 CE LYS A 50 42.111 11.305 -2.153 1.00 0.00 C ATOM 720 NZ LYS A 50 43.183 12.262 -1.800 1.00 0.00 N ATOM 0 H LYS A 50 37.196 13.220 0.382 1.00 0.00 H new ATOM 0 HA LYS A 50 36.772 11.878 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 50 38.591 13.302 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 50 39.110 12.722 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 50 39.877 10.616 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 39.070 10.905 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 50 40.829 12.082 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 50 40.904 13.095 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 50 41.868 10.685 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 50 42.457 10.634 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 44.025 11.739 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 43.425 12.835 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 42.854 12.885 -1.035 1.00 0.00 H new ATOM 734 N GLY A 51 36.304 9.594 -1.298 1.00 0.00 N ATOM 735 CA GLY A 51 36.195 8.177 -1.023 1.00 0.00 C ATOM 736 C GLY A 51 34.934 7.874 -0.269 1.00 0.00 C ATOM 737 O GLY A 51 34.948 7.937 0.951 1.00 0.00 O ATOM 0 H GLY A 51 35.580 9.958 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 51 36.207 7.619 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 51 37.058 7.847 -0.444 1.00 0.00 H new ATOM 741 N ARG A 52 33.852 7.570 -0.990 1.00 0.00 N ATOM 742 CA ARG A 52 32.570 7.205 -0.409 1.00 0.00 C ATOM 743 C ARG A 52 31.576 6.853 -1.493 1.00 0.00 C ATOM 744 O ARG A 52 31.705 7.333 -2.612 1.00 0.00 O ATOM 745 CB ARG A 52 32.045 8.379 0.419 1.00 0.00 C ATOM 746 CG ARG A 52 32.086 8.081 1.922 1.00 0.00 C ATOM 747 CD ARG A 52 30.942 7.172 2.350 1.00 0.00 C ATOM 748 NE ARG A 52 31.250 6.435 3.581 1.00 0.00 N ATOM 749 CZ ARG A 52 31.904 5.290 3.619 1.00 0.00 C ATOM 750 NH1 ARG A 52 32.277 4.698 2.513 1.00 0.00 N ATOM 751 NH2 ARG A 52 32.159 4.708 4.757 1.00 0.00 N ATOM 0 H ARG A 52 33.848 7.572 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 52 32.702 6.332 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 52 32.641 9.267 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 52 31.021 8.604 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 52 33.037 7.611 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 52 32.035 9.016 2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 52 30.043 7.769 2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 52 30.724 6.465 1.550 1.00 0.00 H new ATOM 0 HE ARG A 52 30.938 6.835 4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 52 32.062 5.122 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 52 32.782 3.813 2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 52 31.852 5.138 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 52 32.665 3.823 4.775 1.00 0.00 H new ATOM 765 N THR A 53 30.579 6.056 -1.130 1.00 0.00 N ATOM 766 CA THR A 53 29.564 5.605 -2.066 1.00 0.00 C ATOM 767 C THR A 53 28.196 5.577 -1.405 1.00 0.00 C ATOM 768 O THR A 53 27.928 4.687 -0.596 1.00 0.00 O ATOM 769 CB THR A 53 29.975 4.279 -2.678 1.00 0.00 C ATOM 770 OG1 THR A 53 30.971 4.565 -3.632 1.00 0.00 O ATOM 771 CG2 THR A 53 28.854 3.604 -3.448 1.00 0.00 C ATOM 0 H THR A 53 30.454 5.706 -0.180 1.00 0.00 H new ATOM 0 HA THR A 53 29.479 6.314 -2.890 1.00 0.00 H new ATOM 0 HB THR A 53 30.289 3.622 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 53 31.269 3.732 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.212 2.661 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 53 28.016 3.412 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.527 4.254 -4.260 1.00 0.00 H new ATOM 779 N PRO A 54 27.402 6.637 -1.635 1.00 0.00 N ATOM 780 CA PRO A 54 26.064 6.735 -1.085 1.00 0.00 C ATOM 781 C PRO A 54 25.097 5.764 -1.756 1.00 0.00 C ATOM 782 O PRO A 54 25.453 5.010 -2.665 1.00 0.00 O ATOM 783 CB PRO A 54 25.634 8.197 -1.277 1.00 0.00 C ATOM 784 CG PRO A 54 26.547 8.764 -2.355 1.00 0.00 C ATOM 785 CD PRO A 54 27.681 7.758 -2.526 1.00 0.00 C ATOM 0 HA PRO A 54 26.054 6.458 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 54 24.588 8.260 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 54 25.732 8.758 -0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 54 26.005 8.902 -3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 54 26.934 9.740 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 54 27.743 7.421 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 54 28.640 8.214 -2.281 1.00 0.00 H new ATOM 793 N ILE A 55 23.857 5.747 -1.279 1.00 0.00 N ATOM 794 CA ILE A 55 22.833 4.866 -1.804 1.00 0.00 C ATOM 795 C ILE A 55 21.987 5.646 -2.789 1.00 0.00 C ATOM 796 O ILE A 55 21.692 6.814 -2.571 1.00 0.00 O ATOM 797 CB ILE A 55 22.028 4.247 -0.659 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.972 3.659 0.408 1.00 0.00 C ATOM 799 CG2 ILE A 55 21.110 3.167 -1.230 1.00 0.00 C ATOM 800 CD1 ILE A 55 22.241 2.724 1.366 1.00 0.00 C ATOM 0 H ILE A 55 23.538 6.346 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 55 23.275 4.027 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 55 21.424 5.015 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.780 3.116 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 55 23.431 4.471 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.531 2.718 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.433 3.613 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.711 2.399 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.945 2.333 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.450 3.273 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.805 1.897 0.805 1.00 0.00 H new ATOM 812 N LYS A 56 21.666 5.039 -3.928 1.00 0.00 N ATOM 813 CA LYS A 56 20.820 5.667 -4.926 1.00 0.00 C ATOM 814 C LYS A 56 19.380 5.293 -4.666 1.00 0.00 C ATOM 815 O LYS A 56 19.114 4.189 -4.217 1.00 0.00 O ATOM 816 CB LYS A 56 21.332 5.279 -6.317 1.00 0.00 C ATOM 817 CG LYS A 56 20.406 5.829 -7.413 1.00 0.00 C ATOM 818 CD LYS A 56 19.318 4.799 -7.769 1.00 0.00 C ATOM 819 CE LYS A 56 19.537 4.251 -9.180 1.00 0.00 C ATOM 820 NZ LYS A 56 19.393 2.779 -9.195 1.00 0.00 N ATOM 0 H LYS A 56 21.985 4.104 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 56 20.862 6.755 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.341 5.666 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.393 4.194 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.941 6.755 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.989 6.072 -8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 56 19.334 3.981 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 56 18.334 5.263 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 56 18.818 4.699 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.530 4.528 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.545 2.425 -10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.096 2.355 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.437 2.520 -8.878 1.00 0.00 H new ATOM 834 N PHE A 57 18.453 6.134 -5.122 1.00 0.00 N ATOM 835 CA PHE A 57 17.031 5.928 -4.959 1.00 0.00 C ATOM 836 C PHE A 57 16.277 6.328 -6.209 1.00 0.00 C ATOM 837 O PHE A 57 15.485 5.555 -6.733 1.00 0.00 O ATOM 838 CB PHE A 57 16.566 6.787 -3.793 1.00 0.00 C ATOM 839 CG PHE A 57 17.468 6.761 -2.579 1.00 0.00 C ATOM 840 CD1 PHE A 57 18.561 7.635 -2.483 1.00 0.00 C ATOM 841 CD2 PHE A 57 17.214 5.870 -1.536 1.00 0.00 C ATOM 842 CE1 PHE A 57 19.374 7.608 -1.340 1.00 0.00 C ATOM 843 CE2 PHE A 57 18.039 5.843 -0.402 1.00 0.00 C ATOM 844 CZ PHE A 57 19.147 6.678 -0.324 1.00 0.00 C ATOM 0 H PHE A 57 18.683 6.992 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 57 16.836 4.872 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.473 7.818 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.570 6.459 -3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.776 8.325 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.374 5.194 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 57 20.185 8.315 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 57 17.812 5.171 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 57 19.825 6.608 0.514 1.00 0.00 H new ATOM 854 N GLY A 58 16.593 7.512 -6.736 1.00 0.00 N ATOM 855 CA GLY A 58 15.931 8.062 -7.907 1.00 0.00 C ATOM 856 C GLY A 58 15.249 9.388 -7.610 1.00 0.00 C ATOM 857 O GLY A 58 14.653 9.991 -8.499 1.00 0.00 O ATOM 0 H GLY A 58 17.321 8.116 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.662 8.201 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.192 7.349 -8.273 1.00 0.00 H new ATOM 861 N LYS A 59 15.275 9.823 -6.347 1.00 0.00 N ATOM 862 CA LYS A 59 14.646 11.062 -5.931 1.00 0.00 C ATOM 863 C LYS A 59 15.681 12.149 -5.925 1.00 0.00 C ATOM 864 O LYS A 59 16.764 11.908 -5.419 1.00 0.00 O ATOM 865 CB LYS A 59 13.962 10.859 -4.586 1.00 0.00 C ATOM 866 CG LYS A 59 12.901 9.752 -4.659 1.00 0.00 C ATOM 867 CD LYS A 59 11.518 10.323 -4.985 1.00 0.00 C ATOM 868 CE LYS A 59 10.827 9.484 -6.066 1.00 0.00 C ATOM 869 NZ LYS A 59 10.614 10.294 -7.287 1.00 0.00 N ATOM 0 H LYS A 59 15.736 9.319 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 59 13.865 11.367 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.707 10.602 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.496 11.792 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.184 9.024 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.862 9.220 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.905 10.341 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.616 11.354 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.435 8.611 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.871 9.116 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.145 9.713 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.016 11.114 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.531 10.624 -7.649 1.00 0.00 H new ATOM 883 N SER A 60 15.338 13.310 -6.474 1.00 0.00 N ATOM 884 CA SER A 60 16.231 14.459 -6.477 1.00 0.00 C ATOM 885 C SER A 60 16.358 15.073 -5.090 1.00 0.00 C ATOM 886 O SER A 60 17.145 15.984 -4.887 1.00 0.00 O ATOM 887 CB SER A 60 15.740 15.502 -7.485 1.00 0.00 C ATOM 888 OG SER A 60 16.380 16.758 -7.350 1.00 0.00 O ATOM 0 H SER A 60 14.439 13.478 -6.926 1.00 0.00 H new ATOM 0 HA SER A 60 17.222 14.116 -6.774 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.903 15.126 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.665 15.635 -7.364 1.00 0.00 H new ATOM 0 HG SER A 60 16.819 16.809 -6.476 1.00 0.00 H new ATOM 894 N ASP A 61 15.598 14.589 -4.121 1.00 0.00 N ATOM 895 CA ASP A 61 15.562 15.094 -2.776 1.00 0.00 C ATOM 896 C ASP A 61 16.575 14.301 -1.977 1.00 0.00 C ATOM 897 O ASP A 61 17.387 14.889 -1.270 1.00 0.00 O ATOM 898 CB ASP A 61 14.173 14.936 -2.135 1.00 0.00 C ATOM 899 CG ASP A 61 12.998 14.857 -3.112 1.00 0.00 C ATOM 900 OD1 ASP A 61 13.001 13.970 -4.000 1.00 0.00 O ATOM 901 OD2 ASP A 61 12.068 15.669 -2.953 1.00 0.00 O ATOM 0 H ASP A 61 14.967 13.801 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 61 15.790 16.160 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.175 14.033 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.006 15.776 -1.461 1.00 0.00 H new ATOM 906 N CYS A 62 16.486 12.965 -2.066 1.00 0.00 N ATOM 907 CA CYS A 62 17.371 12.097 -1.327 1.00 0.00 C ATOM 908 C CYS A 62 18.734 12.117 -2.004 1.00 0.00 C ATOM 909 O CYS A 62 19.752 12.068 -1.325 1.00 0.00 O ATOM 910 CB CYS A 62 16.820 10.666 -1.256 1.00 0.00 C ATOM 911 SG CYS A 62 15.032 10.468 -1.221 1.00 0.00 S ATOM 0 H CYS A 62 15.805 12.477 -2.647 1.00 0.00 H new ATOM 0 HA CYS A 62 17.457 12.455 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.203 10.115 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 62 17.229 10.191 -0.364 1.00 0.00 H new ATOM 916 N ASP A 63 18.730 12.169 -3.346 1.00 0.00 N ATOM 917 CA ASP A 63 19.961 12.261 -4.119 1.00 0.00 C ATOM 918 C ASP A 63 20.721 13.531 -3.736 1.00 0.00 C ATOM 919 O ASP A 63 21.942 13.533 -3.562 1.00 0.00 O ATOM 920 CB ASP A 63 19.647 12.294 -5.622 1.00 0.00 C ATOM 921 CG ASP A 63 20.835 12.648 -6.534 1.00 0.00 C ATOM 922 OD1 ASP A 63 22.007 12.594 -6.121 1.00 0.00 O ATOM 923 OD2 ASP A 63 20.562 12.903 -7.719 1.00 0.00 O ATOM 0 H ASP A 63 17.881 12.148 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 63 20.573 11.386 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.261 11.318 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.850 13.017 -5.794 1.00 0.00 H new ATOM 928 N ARG A 64 19.978 14.637 -3.569 1.00 0.00 N ATOM 929 CA ARG A 64 20.589 15.888 -3.207 1.00 0.00 C ATOM 930 C ARG A 64 21.530 15.691 -2.009 1.00 0.00 C ATOM 931 O ARG A 64 21.305 14.874 -1.113 1.00 0.00 O ATOM 932 CB ARG A 64 19.515 16.952 -2.947 1.00 0.00 C ATOM 933 CG ARG A 64 19.415 17.339 -1.477 1.00 0.00 C ATOM 934 CD ARG A 64 18.201 18.182 -1.189 1.00 0.00 C ATOM 935 NE ARG A 64 18.307 19.513 -1.820 1.00 0.00 N ATOM 936 CZ ARG A 64 17.375 20.440 -1.788 1.00 0.00 C ATOM 937 NH1 ARG A 64 16.333 20.292 -1.006 1.00 0.00 N ATOM 938 NH2 ARG A 64 17.593 21.599 -2.350 1.00 0.00 N ATOM 0 H ARG A 64 18.965 14.672 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 64 21.198 16.249 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 64 19.739 17.840 -3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 64 18.549 16.578 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.380 16.436 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.312 17.886 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.309 17.674 -1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 64 18.083 18.297 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 64 19.170 19.730 -2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.246 19.459 -0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.609 21.010 -0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.484 21.782 -2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.872 22.320 -2.327 1.00 0.00 H new ATOM 952 N PRO A 65 22.439 16.658 -1.842 1.00 0.00 N ATOM 953 CA PRO A 65 23.319 16.660 -0.701 1.00 0.00 C ATOM 954 C PRO A 65 22.632 17.088 0.585 1.00 0.00 C ATOM 955 O PRO A 65 21.795 17.984 0.554 1.00 0.00 O ATOM 956 CB PRO A 65 24.477 17.572 -1.071 1.00 0.00 C ATOM 957 CG PRO A 65 23.974 18.435 -2.232 1.00 0.00 C ATOM 958 CD PRO A 65 22.682 17.786 -2.724 1.00 0.00 C ATOM 0 HA PRO A 65 23.664 15.649 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 65 24.774 18.191 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 65 25.352 16.993 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 65 23.794 19.459 -1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.714 18.481 -3.031 1.00 0.00 H new ATOM 0 HD2 PRO A 65 21.853 18.493 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 65 22.780 17.458 -3.759 1.00 0.00 H new ATOM 966 N PRO A 66 22.997 16.516 1.735 1.00 0.00 N ATOM 967 CA PRO A 66 22.427 16.866 3.021 1.00 0.00 C ATOM 968 C PRO A 66 22.963 18.200 3.523 1.00 0.00 C ATOM 969 O PRO A 66 23.826 18.842 2.923 1.00 0.00 O ATOM 970 CB PRO A 66 22.792 15.731 3.974 1.00 0.00 C ATOM 971 CG PRO A 66 23.961 15.022 3.315 1.00 0.00 C ATOM 972 CD PRO A 66 24.008 15.500 1.874 1.00 0.00 C ATOM 0 HA PRO A 66 21.346 16.986 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 66 23.067 16.114 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 66 21.951 15.053 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 66 24.894 15.253 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 66 23.832 13.941 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 66 24.993 15.900 1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 66 23.822 14.674 1.187 1.00 0.00 H new ATOM 980 N LYS A 67 22.327 18.715 4.577 1.00 0.00 N ATOM 981 CA LYS A 67 22.705 19.996 5.143 1.00 0.00 C ATOM 982 C LYS A 67 22.820 19.854 6.637 1.00 0.00 C ATOM 983 O LYS A 67 22.146 20.583 7.323 1.00 0.00 O ATOM 984 CB LYS A 67 21.757 21.110 4.671 1.00 0.00 C ATOM 985 CG LYS A 67 22.168 22.478 5.232 1.00 0.00 C ATOM 986 CD LYS A 67 22.603 23.417 4.110 1.00 0.00 C ATOM 987 CE LYS A 67 22.982 24.785 4.687 1.00 0.00 C ATOM 988 NZ LYS A 67 24.336 25.178 4.232 1.00 0.00 N ATOM 0 H LYS A 67 21.548 18.258 5.051 1.00 0.00 H new ATOM 0 HA LYS A 67 23.686 20.305 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 67 21.754 21.149 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.739 20.879 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.333 22.918 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.983 22.354 5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.453 22.990 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.796 23.530 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.254 25.534 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.953 24.749 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.580 26.107 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.029 24.471 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.351 25.232 3.194 1.00 0.00 H new ATOM 1002 N HIS A 68 23.574 18.888 7.134 1.00 0.00 N ATOM 1003 CA HIS A 68 23.743 18.709 8.569 1.00 0.00 C ATOM 1004 C HIS A 68 24.837 19.631 9.083 1.00 0.00 C ATOM 1005 O HIS A 68 25.681 20.059 8.319 1.00 0.00 O ATOM 1006 CB HIS A 68 24.010 17.226 8.836 1.00 0.00 C ATOM 1007 CG HIS A 68 24.134 16.900 10.303 1.00 0.00 C ATOM 1008 ND1 HIS A 68 25.203 17.258 11.096 1.00 0.00 N ATOM 1009 CD2 HIS A 68 23.264 16.184 11.081 1.00 0.00 C ATOM 1010 CE1 HIS A 68 24.977 16.797 12.335 1.00 0.00 C ATOM 1011 NE2 HIS A 68 23.789 16.156 12.361 1.00 0.00 N ATOM 0 H HIS A 68 24.082 18.212 6.563 1.00 0.00 H new ATOM 0 HA HIS A 68 22.842 18.986 9.117 1.00 0.00 H new ATOM 0 HB2 HIS A 68 23.202 16.635 8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 68 24.927 16.931 8.326 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.341 15.727 10.756 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.640 16.919 13.178 1.00 0.00 H new ATOM 0 HE2 HIS A 68 23.356 15.727 13.179 1.00 0.00 H new ATOM 1020 N SER A 69 24.823 19.917 10.380 1.00 0.00 N ATOM 1021 CA SER A 69 25.873 20.668 11.050 1.00 0.00 C ATOM 1022 C SER A 69 25.592 20.720 12.540 1.00 0.00 C ATOM 1023 O SER A 69 26.515 20.701 13.345 1.00 0.00 O ATOM 1024 CB SER A 69 25.871 22.087 10.488 1.00 0.00 C ATOM 1025 OG SER A 69 27.077 22.407 9.861 1.00 0.00 O ATOM 0 H SER A 69 24.069 19.628 11.003 1.00 0.00 H new ATOM 0 HA SER A 69 26.840 20.192 10.887 1.00 0.00 H new ATOM 0 HB2 SER A 69 25.053 22.193 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 69 25.684 22.795 11.295 1.00 0.00 H new ATOM 0 HG SER A 69 27.033 23.323 9.514 1.00 0.00 H new ATOM 1031 N LYS A 70 24.305 20.820 12.910 1.00 0.00 N ATOM 1032 CA LYS A 70 23.902 20.844 14.310 1.00 0.00 C ATOM 1033 C LYS A 70 23.836 19.463 14.905 1.00 0.00 C ATOM 1034 O LYS A 70 24.188 18.509 14.246 1.00 0.00 O ATOM 1035 CB LYS A 70 22.607 21.613 14.459 1.00 0.00 C ATOM 1036 CG LYS A 70 22.645 22.539 15.683 1.00 0.00 C ATOM 1037 CD LYS A 70 22.281 23.988 15.330 1.00 0.00 C ATOM 1038 CE LYS A 70 21.046 24.441 16.112 1.00 0.00 C ATOM 1039 NZ LYS A 70 20.807 25.883 15.897 1.00 0.00 N ATOM 0 H LYS A 70 23.530 20.885 12.251 1.00 0.00 H new ATOM 0 HA LYS A 70 24.667 21.367 14.884 1.00 0.00 H new ATOM 0 HB2 LYS A 70 22.426 22.202 13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.776 20.914 14.555 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.953 22.167 16.439 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.642 22.514 16.124 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.121 24.645 15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.090 24.070 14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.175 23.869 15.793 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.186 24.243 17.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.966 26.179 16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.633 26.424 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.653 26.062 14.884 1.00 0.00 H new ATOM 1053 N ASP A 71 23.323 19.329 16.108 1.00 0.00 N ATOM 1054 CA ASP A 71 23.154 18.028 16.753 1.00 0.00 C ATOM 1055 C ASP A 71 21.865 17.326 16.295 1.00 0.00 C ATOM 1056 O ASP A 71 21.080 16.827 17.090 1.00 0.00 O ATOM 1057 CB ASP A 71 23.175 18.223 18.274 1.00 0.00 C ATOM 1058 CG ASP A 71 24.006 17.169 18.998 1.00 0.00 C ATOM 1059 OD1 ASP A 71 24.999 16.696 18.404 1.00 0.00 O ATOM 1060 OD2 ASP A 71 23.708 16.960 20.190 1.00 0.00 O ATOM 0 H ASP A 71 23.008 20.116 16.675 1.00 0.00 H new ATOM 0 HA ASP A 71 23.978 17.377 16.459 1.00 0.00 H new ATOM 0 HB2 ASP A 71 23.573 19.212 18.503 1.00 0.00 H new ATOM 0 HB3 ASP A 71 22.153 18.195 18.653 1.00 0.00 H new ATOM 1065 N GLY A 72 21.512 17.486 15.024 1.00 0.00 N ATOM 1066 CA GLY A 72 20.291 16.925 14.506 1.00 0.00 C ATOM 1067 C GLY A 72 19.872 17.619 13.245 1.00 0.00 C ATOM 1068 O GLY A 72 20.297 17.249 12.165 1.00 0.00 O ATOM 0 H GLY A 72 22.063 18.003 14.339 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.430 15.862 14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 72 19.502 17.012 15.252 1.00 0.00 H new ATOM 1072 N ASN A 73 19.187 18.745 13.389 1.00 0.00 N ATOM 1073 CA ASN A 73 18.736 19.517 12.263 1.00 0.00 C ATOM 1074 C ASN A 73 18.832 20.972 12.613 1.00 0.00 C ATOM 1075 O ASN A 73 17.807 21.535 12.964 1.00 0.00 O ATOM 1076 CB ASN A 73 17.284 19.177 11.945 1.00 0.00 C ATOM 1077 CG ASN A 73 16.915 19.697 10.605 1.00 0.00 C ATOM 1078 OD1 ASN A 73 16.682 18.945 9.724 1.00 0.00 O ATOM 1079 ND2 ASN A 73 16.910 20.975 10.369 1.00 0.00 N ATOM 0 H ASN A 73 18.933 19.140 14.294 1.00 0.00 H new ATOM 0 HA ASN A 73 19.354 19.291 11.394 1.00 0.00 H new ATOM 0 HB2 ASN A 73 17.141 18.097 11.975 1.00 0.00 H new ATOM 0 HB3 ASN A 73 16.628 19.607 12.703 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.706 21.320 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 73 17.110 21.633 11.122 1.00 0.00 H new ATOM 1086 N GLY A 74 20.019 21.566 12.620 1.00 0.00 N ATOM 1087 CA GLY A 74 20.217 22.977 12.864 1.00 0.00 C ATOM 1088 C GLY A 74 19.109 23.869 12.351 1.00 0.00 C ATOM 1089 O GLY A 74 18.179 24.202 13.080 1.00 0.00 O ATOM 0 H GLY A 74 20.889 21.061 12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.324 23.135 13.937 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.155 23.284 12.402 1.00 0.00 H new ATOM 1093 N LYS A 75 19.300 24.392 11.148 1.00 0.00 N ATOM 1094 CA LYS A 75 18.276 25.207 10.524 1.00 0.00 C ATOM 1095 C LYS A 75 17.270 24.331 9.799 1.00 0.00 C ATOM 1096 O LYS A 75 16.478 23.655 10.427 1.00 0.00 O ATOM 1097 CB LYS A 75 18.947 26.245 9.626 1.00 0.00 C ATOM 1098 CG LYS A 75 19.505 27.389 10.475 1.00 0.00 C ATOM 1099 CD LYS A 75 19.385 28.712 9.712 1.00 0.00 C ATOM 1100 CE LYS A 75 19.861 29.879 10.585 1.00 0.00 C ATOM 1101 NZ LYS A 75 18.705 30.647 11.107 1.00 0.00 N ATOM 0 H LYS A 75 20.146 24.267 10.592 1.00 0.00 H new ATOM 0 HA LYS A 75 17.704 25.751 11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.750 25.779 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.228 26.634 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 75 18.961 27.452 11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.549 27.195 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 75 19.978 28.667 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.350 28.873 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.457 29.500 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.507 30.536 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 19.048 31.433 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 18.152 31.026 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 18.103 30.022 11.680 1.00 0.00 H new ATOM 1115 N THR A 76 17.290 24.354 8.474 1.00 0.00 N ATOM 1116 CA THR A 76 16.394 23.576 7.637 1.00 0.00 C ATOM 1117 C THR A 76 17.091 22.349 7.088 1.00 0.00 C ATOM 1118 O THR A 76 16.745 21.856 6.025 1.00 0.00 O ATOM 1119 CB THR A 76 15.782 24.479 6.562 1.00 0.00 C ATOM 1120 OG1 THR A 76 14.442 24.085 6.460 1.00 0.00 O ATOM 1121 CG2 THR A 76 16.429 24.366 5.182 1.00 0.00 C ATOM 0 H THR A 76 17.944 24.927 7.941 1.00 0.00 H new ATOM 0 HA THR A 76 15.566 23.191 8.233 1.00 0.00 H new ATOM 0 HB THR A 76 15.929 25.516 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.991 24.631 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 76 15.928 25.042 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 76 17.484 24.633 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.337 23.342 4.820 1.00 0.00 H new ATOM 1129 N ASP A 77 18.162 21.919 7.748 1.00 0.00 N ATOM 1130 CA ASP A 77 18.976 20.797 7.337 1.00 0.00 C ATOM 1131 C ASP A 77 18.168 19.770 6.599 1.00 0.00 C ATOM 1132 O ASP A 77 17.338 19.128 7.161 1.00 0.00 O ATOM 1133 CB ASP A 77 19.648 20.107 8.520 1.00 0.00 C ATOM 1134 CG ASP A 77 20.461 21.036 9.429 1.00 0.00 C ATOM 1135 OD1 ASP A 77 20.460 22.279 9.229 1.00 0.00 O ATOM 1136 OD2 ASP A 77 21.116 20.511 10.356 1.00 0.00 O ATOM 0 H ASP A 77 18.491 22.359 8.607 1.00 0.00 H new ATOM 0 HA ASP A 77 19.740 21.214 6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.882 19.615 9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.306 19.325 8.141 1.00 0.00 H new ATOM 1141 N HIS A 78 18.259 19.656 5.293 1.00 0.00 N ATOM 1142 CA HIS A 78 17.450 18.715 4.535 1.00 0.00 C ATOM 1143 C HIS A 78 18.043 17.317 4.601 1.00 0.00 C ATOM 1144 O HIS A 78 17.814 16.508 3.713 1.00 0.00 O ATOM 1145 CB HIS A 78 17.257 19.234 3.113 1.00 0.00 C ATOM 1146 CG HIS A 78 18.525 19.579 2.383 1.00 0.00 C ATOM 1147 ND1 HIS A 78 18.576 20.230 1.180 1.00 0.00 N ATOM 1148 CD2 HIS A 78 19.807 19.371 2.792 1.00 0.00 C ATOM 1149 CE1 HIS A 78 19.866 20.360 0.824 1.00 0.00 C ATOM 1150 NE2 HIS A 78 20.630 19.937 1.841 1.00 0.00 N ATOM 0 H HIS A 78 18.895 20.212 4.721 1.00 0.00 H new ATOM 0 HA HIS A 78 16.458 18.633 4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 78 16.718 18.481 2.538 1.00 0.00 H new ATOM 0 HB3 HIS A 78 16.624 20.121 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 78 20.120 18.860 3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 78 20.226 20.741 -0.121 1.00 0.00 H new ATOM 0 HE2 HIS A 78 21.645 20.019 1.901 1.00 0.00 H new ATOM 1159 N TYR A 79 19.024 17.136 5.481 1.00 0.00 N ATOM 1160 CA TYR A 79 19.591 15.850 5.774 1.00 0.00 C ATOM 1161 C TYR A 79 18.592 14.674 5.820 1.00 0.00 C ATOM 1162 O TYR A 79 17.436 14.784 6.215 1.00 0.00 O ATOM 1163 CB TYR A 79 20.343 15.982 7.092 1.00 0.00 C ATOM 1164 CG TYR A 79 19.469 15.936 8.328 1.00 0.00 C ATOM 1165 CD1 TYR A 79 18.167 16.440 8.326 1.00 0.00 C ATOM 1166 CD2 TYR A 79 19.931 15.384 9.512 1.00 0.00 C ATOM 1167 CE1 TYR A 79 17.324 16.332 9.418 1.00 0.00 C ATOM 1168 CE2 TYR A 79 19.107 15.340 10.636 1.00 0.00 C ATOM 1169 CZ TYR A 79 17.806 15.846 10.619 1.00 0.00 C ATOM 1170 OH TYR A 79 16.998 15.842 11.711 1.00 0.00 O ATOM 0 H TYR A 79 19.444 17.899 6.012 1.00 0.00 H new ATOM 0 HA TYR A 79 20.248 15.586 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 79 21.080 15.182 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 79 20.893 16.923 7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 79 17.803 16.934 7.437 1.00 0.00 H new ATOM 0 HD2 TYR A 79 20.934 14.986 9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 79 16.289 16.628 9.332 1.00 0.00 H new ATOM 0 HE2 TYR A 79 19.487 14.901 11.547 1.00 0.00 H new ATOM 0 HH TYR A 79 16.138 15.433 11.480 1.00 0.00 H new ATOM 1180 N LEU A 80 19.009 13.535 5.306 1.00 0.00 N ATOM 1181 CA LEU A 80 18.146 12.375 5.344 1.00 0.00 C ATOM 1182 C LEU A 80 18.137 11.775 6.732 1.00 0.00 C ATOM 1183 O LEU A 80 19.064 12.017 7.487 1.00 0.00 O ATOM 1184 CB LEU A 80 18.607 11.391 4.283 1.00 0.00 C ATOM 1185 CG LEU A 80 17.838 11.534 2.961 1.00 0.00 C ATOM 1186 CD1 LEU A 80 18.788 11.815 1.810 1.00 0.00 C ATOM 1187 CD2 LEU A 80 17.017 10.293 2.666 1.00 0.00 C ATOM 0 H LEU A 80 19.918 13.389 4.867 1.00 0.00 H new ATOM 0 HA LEU A 80 17.116 12.654 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.671 11.538 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.486 10.375 4.660 1.00 0.00 H new ATOM 0 HG LEU A 80 17.157 12.379 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.220 11.912 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.329 12.741 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.498 10.993 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.484 10.425 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.677 9.429 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.299 10.132 3.470 1.00 0.00 H new ATOM 1199 N LEU A 81 17.116 11.007 7.078 1.00 0.00 N ATOM 1200 CA LEU A 81 17.000 10.375 8.372 1.00 0.00 C ATOM 1201 C LEU A 81 16.444 8.978 8.181 1.00 0.00 C ATOM 1202 O LEU A 81 15.489 8.775 7.433 1.00 0.00 O ATOM 1203 CB LEU A 81 16.127 11.215 9.308 1.00 0.00 C ATOM 1204 CG LEU A 81 16.603 12.658 9.504 1.00 0.00 C ATOM 1205 CD1 LEU A 81 15.450 13.626 9.308 1.00 0.00 C ATOM 1206 CD2 LEU A 81 17.242 12.807 10.858 1.00 0.00 C ATOM 0 H LEU A 81 16.335 10.805 6.454 1.00 0.00 H new ATOM 0 HA LEU A 81 17.981 10.301 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.110 11.232 8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.085 10.725 10.281 1.00 0.00 H new ATOM 0 HG LEU A 81 17.356 12.898 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.804 14.647 9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.051 13.518 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.666 13.409 10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.578 13.835 10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.516 12.560 11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 81 18.096 12.134 10.933 1.00 0.00 H new ATOM 1218 N GLU A 82 17.054 8.005 8.837 1.00 0.00 N ATOM 1219 CA GLU A 82 16.679 6.621 8.748 1.00 0.00 C ATOM 1220 C GLU A 82 15.872 6.247 9.987 1.00 0.00 C ATOM 1221 O GLU A 82 16.127 6.705 11.112 1.00 0.00 O ATOM 1222 CB GLU A 82 17.901 5.713 8.519 1.00 0.00 C ATOM 1223 CG GLU A 82 18.763 5.593 9.751 1.00 0.00 C ATOM 1224 CD GLU A 82 19.894 6.606 9.792 1.00 0.00 C ATOM 1225 OE1 GLU A 82 19.602 7.783 9.632 1.00 0.00 O ATOM 1226 OE2 GLU A 82 21.043 6.192 10.020 1.00 0.00 O ATOM 0 H GLU A 82 17.844 8.170 9.461 1.00 0.00 H new ATOM 0 HA GLU A 82 16.046 6.466 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.563 4.722 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.498 6.110 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.139 5.718 10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.182 4.588 9.796 1.00 0.00 H new ATOM 1233 N PHE A 83 14.991 5.270 9.824 1.00 0.00 N ATOM 1234 CA PHE A 83 14.151 4.832 10.908 1.00 0.00 C ATOM 1235 C PHE A 83 13.955 3.335 10.902 1.00 0.00 C ATOM 1236 O PHE A 83 13.688 2.774 9.849 1.00 0.00 O ATOM 1237 CB PHE A 83 12.802 5.518 10.813 1.00 0.00 C ATOM 1238 CG PHE A 83 12.025 5.567 12.093 1.00 0.00 C ATOM 1239 CD1 PHE A 83 12.588 6.132 13.233 1.00 0.00 C ATOM 1240 CD2 PHE A 83 10.730 5.054 12.156 1.00 0.00 C ATOM 1241 CE1 PHE A 83 11.893 6.167 14.444 1.00 0.00 C ATOM 1242 CE2 PHE A 83 10.029 5.061 13.375 1.00 0.00 C ATOM 1243 CZ PHE A 83 10.605 5.641 14.504 1.00 0.00 C ATOM 0 H PHE A 83 14.846 4.771 8.947 1.00 0.00 H new ATOM 0 HA PHE A 83 14.647 5.099 11.841 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.954 6.537 10.458 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.202 5.005 10.061 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.582 6.552 13.180 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.265 4.651 11.268 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.349 6.597 15.323 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.046 4.618 13.436 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.050 5.683 15.429 1.00 0.00 H new ATOM 1253 N PRO A 84 14.111 2.658 12.039 1.00 0.00 N ATOM 1254 CA PRO A 84 13.990 1.218 12.139 1.00 0.00 C ATOM 1255 C PRO A 84 12.536 0.808 12.064 1.00 0.00 C ATOM 1256 O PRO A 84 11.840 0.730 13.072 1.00 0.00 O ATOM 1257 CB PRO A 84 14.670 0.802 13.446 1.00 0.00 C ATOM 1258 CG PRO A 84 14.741 2.083 14.268 1.00 0.00 C ATOM 1259 CD PRO A 84 14.443 3.232 13.315 1.00 0.00 C ATOM 0 HA PRO A 84 14.480 0.708 11.309 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.098 0.031 13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.664 0.393 13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.019 2.060 15.084 1.00 0.00 H new ATOM 0 HG3 PRO A 84 15.727 2.200 14.718 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.618 3.837 13.690 1.00 0.00 H new ATOM 0 HD3 PRO A 84 15.307 3.891 13.226 1.00 0.00 H new ATOM 1267 N THR A 85 12.095 0.488 10.851 1.00 0.00 N ATOM 1268 CA THR A 85 10.738 0.066 10.603 1.00 0.00 C ATOM 1269 C THR A 85 10.622 -1.441 10.646 1.00 0.00 C ATOM 1270 O THR A 85 11.225 -2.171 9.863 1.00 0.00 O ATOM 1271 CB THR A 85 10.229 0.644 9.286 1.00 0.00 C ATOM 1272 OG1 THR A 85 8.973 0.069 9.025 1.00 0.00 O ATOM 1273 CG2 THR A 85 11.121 0.300 8.093 1.00 0.00 C ATOM 0 H THR A 85 12.679 0.517 10.015 1.00 0.00 H new ATOM 0 HA THR A 85 10.102 0.456 11.398 1.00 0.00 H new ATOM 0 HB THR A 85 10.204 1.728 9.396 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.005 -0.415 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.704 0.741 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.122 0.696 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.174 -0.783 7.978 1.00 0.00 H new ATOM 1281 N PHE A 86 9.812 -1.945 11.560 1.00 0.00 N ATOM 1282 CA PHE A 86 9.606 -3.358 11.727 1.00 0.00 C ATOM 1283 C PHE A 86 8.547 -3.872 10.766 1.00 0.00 C ATOM 1284 O PHE A 86 7.606 -3.151 10.418 1.00 0.00 O ATOM 1285 CB PHE A 86 9.171 -3.622 13.166 1.00 0.00 C ATOM 1286 CG PHE A 86 10.287 -3.400 14.163 1.00 0.00 C ATOM 1287 CD1 PHE A 86 10.769 -2.108 14.426 1.00 0.00 C ATOM 1288 CD2 PHE A 86 10.853 -4.492 14.842 1.00 0.00 C ATOM 1289 CE1 PHE A 86 11.798 -1.916 15.362 1.00 0.00 C ATOM 1290 CE2 PHE A 86 11.814 -4.287 15.851 1.00 0.00 C ATOM 1291 CZ PHE A 86 12.304 -2.995 16.098 1.00 0.00 C ATOM 0 H PHE A 86 9.276 -1.371 12.211 1.00 0.00 H new ATOM 0 HA PHE A 86 10.537 -3.882 11.511 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.333 -2.970 13.413 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.812 -4.648 13.251 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.347 -1.260 13.907 1.00 0.00 H new ATOM 0 HD2 PHE A 86 10.549 -5.497 14.588 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.203 -0.927 15.516 1.00 0.00 H new ATOM 0 HE2 PHE A 86 12.173 -5.122 16.434 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.064 -2.834 16.848 1.00 0.00 H new ATOM 1301 N PRO A 87 8.650 -5.154 10.389 1.00 0.00 N ATOM 1302 CA PRO A 87 7.700 -5.775 9.482 1.00 0.00 C ATOM 1303 C PRO A 87 6.411 -6.148 10.158 1.00 0.00 C ATOM 1304 O PRO A 87 5.371 -5.825 9.581 1.00 0.00 O ATOM 1305 CB PRO A 87 8.365 -7.039 8.964 1.00 0.00 C ATOM 1306 CG PRO A 87 9.513 -7.339 9.922 1.00 0.00 C ATOM 1307 CD PRO A 87 9.696 -6.089 10.779 1.00 0.00 C ATOM 0 HA PRO A 87 7.448 -5.070 8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.657 -7.867 8.934 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.733 -6.897 7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.285 -8.206 10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.426 -7.571 9.374 1.00 0.00 H new ATOM 0 HD2 PRO A 87 9.621 -6.333 11.839 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.683 -5.653 10.621 1.00 0.00 H new ATOM 1315 N ASP A 88 6.498 -6.711 11.380 1.00 0.00 N ATOM 1316 CA ASP A 88 5.327 -7.051 12.186 1.00 0.00 C ATOM 1317 C ASP A 88 4.294 -5.916 12.124 1.00 0.00 C ATOM 1318 O ASP A 88 3.088 -6.146 12.079 1.00 0.00 O ATOM 1319 CB ASP A 88 5.748 -7.288 13.640 1.00 0.00 C ATOM 1320 CG ASP A 88 4.574 -7.151 14.623 1.00 0.00 C ATOM 1321 OD1 ASP A 88 4.064 -6.027 14.772 1.00 0.00 O ATOM 1322 OD2 ASP A 88 4.325 -8.124 15.346 1.00 0.00 O ATOM 0 H ASP A 88 7.385 -6.939 11.828 1.00 0.00 H new ATOM 0 HA ASP A 88 4.878 -7.961 11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.180 -8.284 13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.528 -6.576 13.910 1.00 0.00 H new ATOM 1327 N GLY A 89 4.789 -4.677 12.022 1.00 0.00 N ATOM 1328 CA GLY A 89 3.958 -3.515 11.923 1.00 0.00 C ATOM 1329 C GLY A 89 3.867 -2.857 13.270 1.00 0.00 C ATOM 1330 O GLY A 89 2.996 -2.015 13.456 1.00 0.00 O ATOM 0 H GLY A 89 5.788 -4.472 12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.371 -2.819 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.964 -3.793 11.573 1.00 0.00 H new ATOM 1334 N HIS A 90 4.775 -3.208 14.188 1.00 0.00 N ATOM 1335 CA HIS A 90 4.786 -2.654 15.515 1.00 0.00 C ATOM 1336 C HIS A 90 5.612 -1.385 15.486 1.00 0.00 C ATOM 1337 O HIS A 90 6.714 -1.344 14.928 1.00 0.00 O ATOM 1338 CB HIS A 90 5.258 -3.691 16.534 1.00 0.00 C ATOM 1339 CG HIS A 90 6.739 -3.924 16.610 1.00 0.00 C ATOM 1340 ND1 HIS A 90 7.346 -5.141 16.414 1.00 0.00 N ATOM 1341 CD2 HIS A 90 7.703 -3.002 16.925 1.00 0.00 C ATOM 1342 CE1 HIS A 90 8.660 -4.951 16.611 1.00 0.00 C ATOM 1343 NE2 HIS A 90 8.912 -3.649 16.869 1.00 0.00 N ATOM 0 H HIS A 90 5.517 -3.886 14.015 1.00 0.00 H new ATOM 0 HA HIS A 90 3.781 -2.386 15.842 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.909 -3.385 17.520 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.774 -4.640 16.305 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.542 -1.963 17.171 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.409 -5.728 16.569 1.00 0.00 H new ATOM 0 HE2 HIS A 90 9.831 -3.225 16.998 1.00 0.00 H new ATOM 1352 N ASP A 91 5.074 -0.315 16.043 1.00 0.00 N ATOM 1353 CA ASP A 91 5.785 0.946 16.159 1.00 0.00 C ATOM 1354 C ASP A 91 6.883 0.788 17.194 1.00 0.00 C ATOM 1355 O ASP A 91 6.586 0.625 18.375 1.00 0.00 O ATOM 1356 CB ASP A 91 4.812 2.046 16.577 1.00 0.00 C ATOM 1357 CG ASP A 91 5.484 3.322 17.084 1.00 0.00 C ATOM 1358 OD1 ASP A 91 6.021 3.402 18.194 1.00 0.00 O ATOM 1359 OD2 ASP A 91 5.423 4.283 16.310 1.00 0.00 O ATOM 0 H ASP A 91 4.130 -0.296 16.429 1.00 0.00 H new ATOM 0 HA ASP A 91 6.226 1.222 15.201 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.178 2.297 15.726 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.158 1.659 17.358 1.00 0.00 H new ATOM 1364 N TYR A 92 8.120 0.594 16.732 1.00 0.00 N ATOM 1365 CA TYR A 92 9.268 0.481 17.602 1.00 0.00 C ATOM 1366 C TYR A 92 9.160 1.389 18.814 1.00 0.00 C ATOM 1367 O TYR A 92 8.707 2.503 18.740 1.00 0.00 O ATOM 1368 CB TYR A 92 10.492 0.854 16.783 1.00 0.00 C ATOM 1369 CG TYR A 92 11.792 0.842 17.551 1.00 0.00 C ATOM 1370 CD1 TYR A 92 12.098 -0.247 18.381 1.00 0.00 C ATOM 1371 CD2 TYR A 92 12.681 1.923 17.438 1.00 0.00 C ATOM 1372 CE1 TYR A 92 13.298 -0.254 19.096 1.00 0.00 C ATOM 1373 CE2 TYR A 92 13.886 1.914 18.158 1.00 0.00 C ATOM 1374 CZ TYR A 92 14.185 0.812 18.979 1.00 0.00 C ATOM 1375 OH TYR A 92 15.372 0.694 19.594 1.00 0.00 O ATOM 0 H TYR A 92 8.343 0.512 15.740 1.00 0.00 H new ATOM 0 HA TYR A 92 9.334 -0.539 17.981 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.575 0.164 15.944 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.343 1.849 16.364 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.410 -1.075 18.467 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.438 2.759 16.799 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.538 -1.087 19.740 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.575 2.743 18.082 1.00 0.00 H new ATOM 0 HH TYR A 92 15.345 -0.065 20.214 1.00 0.00 H new ATOM 1385 N LYS A 93 9.573 0.944 19.981 1.00 0.00 N ATOM 1386 CA LYS A 93 9.531 1.758 21.181 1.00 0.00 C ATOM 1387 C LYS A 93 10.692 2.744 21.165 1.00 0.00 C ATOM 1388 O LYS A 93 11.581 2.709 22.013 1.00 0.00 O ATOM 1389 CB LYS A 93 9.491 0.856 22.408 1.00 0.00 C ATOM 1390 CG LYS A 93 10.560 -0.233 22.329 1.00 0.00 C ATOM 1391 CD LYS A 93 11.033 -0.614 23.736 1.00 0.00 C ATOM 1392 CE LYS A 93 10.342 -1.898 24.208 1.00 0.00 C ATOM 1393 NZ LYS A 93 9.295 -1.572 25.192 1.00 0.00 N ATOM 0 H LYS A 93 9.948 0.007 20.127 1.00 0.00 H new ATOM 0 HA LYS A 93 8.622 2.359 21.219 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.643 1.454 23.307 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.506 0.397 22.493 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.159 -1.111 21.822 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.405 0.119 21.736 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.114 -0.755 23.736 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.817 0.198 24.430 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.904 -2.419 23.357 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.074 -2.573 24.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.831 -2.447 25.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.724 -1.093 26.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.590 -0.945 24.754 1.00 0.00 H new ATOM 1407 N PHE A 94 10.718 3.620 20.173 1.00 0.00 N ATOM 1408 CA PHE A 94 11.705 4.658 20.040 1.00 0.00 C ATOM 1409 C PHE A 94 11.450 5.805 20.999 1.00 0.00 C ATOM 1410 O PHE A 94 12.202 6.768 20.979 1.00 0.00 O ATOM 1411 CB PHE A 94 11.696 5.165 18.605 1.00 0.00 C ATOM 1412 CG PHE A 94 10.322 5.540 18.108 1.00 0.00 C ATOM 1413 CD1 PHE A 94 9.778 6.803 18.367 1.00 0.00 C ATOM 1414 CD2 PHE A 94 9.573 4.619 17.382 1.00 0.00 C ATOM 1415 CE1 PHE A 94 8.490 7.133 17.903 1.00 0.00 C ATOM 1416 CE2 PHE A 94 8.289 4.932 16.931 1.00 0.00 C ATOM 1417 CZ PHE A 94 7.734 6.191 17.190 1.00 0.00 C ATOM 0 H PHE A 94 10.029 3.621 19.421 1.00 0.00 H new ATOM 0 HA PHE A 94 12.681 4.241 20.287 1.00 0.00 H new ATOM 0 HB2 PHE A 94 12.350 6.034 18.531 1.00 0.00 H new ATOM 0 HB3 PHE A 94 12.112 4.396 17.954 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.349 7.529 18.926 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.991 3.647 17.164 1.00 0.00 H new ATOM 0 HE1 PHE A 94 8.083 8.114 18.097 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.720 4.198 16.379 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.739 6.433 16.846 1.00 0.00 H new ATOM 1427 N ASP A 95 10.452 5.690 21.866 1.00 0.00 N ATOM 1428 CA ASP A 95 10.100 6.716 22.829 1.00 0.00 C ATOM 1429 C ASP A 95 10.583 6.293 24.214 1.00 0.00 C ATOM 1430 O ASP A 95 11.081 7.085 25.012 1.00 0.00 O ATOM 1431 CB ASP A 95 8.579 6.874 22.863 1.00 0.00 C ATOM 1432 CG ASP A 95 8.143 8.239 23.402 1.00 0.00 C ATOM 1433 OD1 ASP A 95 8.548 8.575 24.535 1.00 0.00 O ATOM 1434 OD2 ASP A 95 7.405 8.929 22.674 1.00 0.00 O ATOM 0 H ASP A 95 9.856 4.864 21.917 1.00 0.00 H new ATOM 0 HA ASP A 95 10.566 7.659 22.545 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.181 6.740 21.857 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.149 6.088 23.484 1.00 0.00 H new ATOM 1439 N SER A 96 10.565 4.980 24.479 1.00 0.00 N ATOM 1440 CA SER A 96 10.978 4.445 25.757 1.00 0.00 C ATOM 1441 C SER A 96 12.398 3.962 25.620 1.00 0.00 C ATOM 1442 O SER A 96 12.631 2.879 25.095 1.00 0.00 O ATOM 1443 CB SER A 96 10.056 3.322 26.217 1.00 0.00 C ATOM 1444 OG SER A 96 8.847 3.837 26.729 1.00 0.00 O ATOM 0 H SER A 96 10.263 4.273 23.809 1.00 0.00 H new ATOM 0 HA SER A 96 10.919 5.223 26.518 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.846 2.654 25.382 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.555 2.728 26.982 1.00 0.00 H new ATOM 0 HG SER A 96 8.272 3.097 27.016 1.00 0.00 H new ATOM 1450 N LYS A 97 13.369 4.802 26.000 1.00 0.00 N ATOM 1451 CA LYS A 97 14.770 4.424 25.968 1.00 0.00 C ATOM 1452 C LYS A 97 15.062 3.456 27.099 1.00 0.00 C ATOM 1453 O LYS A 97 15.993 2.670 27.028 1.00 0.00 O ATOM 1454 CB LYS A 97 15.656 5.657 26.073 1.00 0.00 C ATOM 1455 CG LYS A 97 16.052 6.032 27.490 1.00 0.00 C ATOM 1456 CD LYS A 97 16.548 7.470 27.577 1.00 0.00 C ATOM 1457 CE LYS A 97 17.605 7.584 28.680 1.00 0.00 C ATOM 1458 NZ LYS A 97 17.168 8.538 29.722 1.00 0.00 N ATOM 0 H LYS A 97 13.199 5.751 26.333 1.00 0.00 H new ATOM 0 HA LYS A 97 14.986 3.933 25.019 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.561 5.489 25.489 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.137 6.501 25.619 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.197 5.902 28.153 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.832 5.356 27.840 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.971 7.778 26.621 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.715 8.141 27.787 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.780 6.605 29.126 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.552 7.913 28.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.897 8.602 30.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.023 9.476 29.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.276 8.208 30.143 1.00 0.00 H new ATOM 1472 N LYS A 98 14.418 3.624 28.254 1.00 0.00 N ATOM 1473 CA LYS A 98 14.609 2.790 29.408 1.00 0.00 C ATOM 1474 C LYS A 98 13.276 2.115 29.779 1.00 0.00 C ATOM 1475 O LYS A 98 12.410 2.805 30.298 1.00 0.00 O ATOM 1476 CB LYS A 98 15.300 3.524 30.538 1.00 0.00 C ATOM 1477 CG LYS A 98 16.341 2.613 31.218 1.00 0.00 C ATOM 1478 CD LYS A 98 17.770 3.009 30.810 1.00 0.00 C ATOM 1479 CE LYS A 98 18.262 2.159 29.631 1.00 0.00 C ATOM 1480 NZ LYS A 98 19.288 1.192 30.089 1.00 0.00 N ATOM 0 H LYS A 98 13.735 4.367 28.402 1.00 0.00 H new ATOM 0 HA LYS A 98 15.305 1.985 29.172 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.788 4.419 30.153 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.563 3.853 31.270 1.00 0.00 H new ATOM 0 HG2 LYS A 98 16.236 2.680 32.301 1.00 0.00 H new ATOM 0 HG3 LYS A 98 16.155 1.575 30.944 1.00 0.00 H new ATOM 0 HD2 LYS A 98 17.795 4.064 30.537 1.00 0.00 H new ATOM 0 HD3 LYS A 98 18.442 2.883 31.659 1.00 0.00 H new ATOM 0 HE2 LYS A 98 17.424 1.626 29.183 1.00 0.00 H new ATOM 0 HE3 LYS A 98 18.679 2.804 28.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 19.613 0.623 29.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 20.094 1.708 30.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 18.877 0.566 30.811 1.00 0.00 H new ATOM 1494 N PRO A 99 13.138 0.808 29.496 1.00 0.00 N ATOM 1495 CA PRO A 99 14.169 0.012 28.823 1.00 0.00 C ATOM 1496 C PRO A 99 14.261 0.333 27.348 1.00 0.00 C ATOM 1497 O PRO A 99 13.469 1.131 26.892 1.00 0.00 O ATOM 1498 CB PRO A 99 13.854 -1.437 29.038 1.00 0.00 C ATOM 1499 CG PRO A 99 12.374 -1.444 29.406 1.00 0.00 C ATOM 1500 CD PRO A 99 11.959 -0.001 29.737 1.00 0.00 C ATOM 0 HA PRO A 99 15.143 0.254 29.249 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.044 -2.024 28.140 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.465 -1.864 29.833 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.778 -1.832 28.580 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.197 -2.097 30.261 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.127 0.321 29.110 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.630 0.085 30.773 1.00 0.00 H new ATOM 1508 N LYS A 100 15.257 -0.195 26.640 1.00 0.00 N ATOM 1509 CA LYS A 100 15.458 0.065 25.222 1.00 0.00 C ATOM 1510 C LYS A 100 15.346 -1.229 24.450 1.00 0.00 C ATOM 1511 O LYS A 100 15.959 -2.211 24.852 1.00 0.00 O ATOM 1512 CB LYS A 100 16.800 0.764 24.998 1.00 0.00 C ATOM 1513 CG LYS A 100 16.584 2.068 24.212 1.00 0.00 C ATOM 1514 CD LYS A 100 17.617 2.209 23.109 1.00 0.00 C ATOM 1515 CE LYS A 100 18.654 3.289 23.411 1.00 0.00 C ATOM 1516 NZ LYS A 100 19.174 3.140 24.784 1.00 0.00 N ATOM 0 H LYS A 100 15.954 -0.822 27.042 1.00 0.00 H new ATOM 0 HA LYS A 100 14.684 0.738 24.853 1.00 0.00 H new ATOM 0 HB2 LYS A 100 17.272 0.980 25.956 1.00 0.00 H new ATOM 0 HB3 LYS A 100 17.476 0.107 24.451 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.582 2.077 23.782 1.00 0.00 H new ATOM 0 HG3 LYS A 100 16.648 2.921 24.888 1.00 0.00 H new ATOM 0 HD2 LYS A 100 18.123 1.254 22.966 1.00 0.00 H new ATOM 0 HD3 LYS A 100 17.113 2.446 22.172 1.00 0.00 H new ATOM 0 HE2 LYS A 100 19.474 3.223 22.696 1.00 0.00 H new ATOM 0 HE3 LYS A 100 18.205 4.275 23.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 20.155 3.484 24.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.586 3.693 25.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 19.148 2.137 25.058 1.00 0.00 H new ATOM 1530 N GLU A 101 14.498 -1.230 23.431 1.00 0.00 N ATOM 1531 CA GLU A 101 14.327 -2.414 22.604 1.00 0.00 C ATOM 1532 C GLU A 101 15.426 -2.484 21.551 1.00 0.00 C ATOM 1533 O GLU A 101 15.926 -1.463 21.090 1.00 0.00 O ATOM 1534 CB GLU A 101 12.937 -2.431 21.974 1.00 0.00 C ATOM 1535 CG GLU A 101 12.741 -3.485 20.901 1.00 0.00 C ATOM 1536 CD GLU A 101 12.801 -4.890 21.492 1.00 0.00 C ATOM 1537 OE1 GLU A 101 11.787 -5.244 22.118 1.00 0.00 O ATOM 1538 OE2 GLU A 101 13.851 -5.555 21.391 1.00 0.00 O ATOM 0 H GLU A 101 13.923 -0.432 23.160 1.00 0.00 H new ATOM 0 HA GLU A 101 14.411 -3.301 23.231 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.199 -2.590 22.760 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.737 -1.450 21.542 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.779 -3.334 20.411 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.509 -3.376 20.136 1.00 0.00 H new ATOM 1545 N ASN A 102 15.793 -3.695 21.160 1.00 0.00 N ATOM 1546 CA ASN A 102 16.690 -3.933 20.072 1.00 0.00 C ATOM 1547 C ASN A 102 16.276 -3.194 18.798 1.00 0.00 C ATOM 1548 O ASN A 102 15.103 -3.137 18.419 1.00 0.00 O ATOM 1549 CB ASN A 102 16.829 -5.429 19.784 1.00 0.00 C ATOM 1550 CG ASN A 102 18.160 -5.978 20.234 1.00 0.00 C ATOM 1551 OD1 ASN A 102 18.772 -5.532 21.188 1.00 0.00 O ATOM 1552 ND2 ASN A 102 18.677 -6.925 19.485 1.00 0.00 N ATOM 0 H ASN A 102 15.461 -4.549 21.609 1.00 0.00 H new ATOM 0 HA ASN A 102 17.657 -3.539 20.384 1.00 0.00 H new ATOM 0 HB2 ASN A 102 16.027 -5.969 20.287 1.00 0.00 H new ATOM 0 HB3 ASN A 102 16.709 -5.603 18.715 1.00 0.00 H new ATOM 0 HD21 ASN A 102 19.602 -7.296 19.699 1.00 0.00 H new ATOM 0 HD22 ASN A 102 18.153 -7.289 18.689 1.00 0.00 H new ATOM 1559 N PRO A 103 17.266 -2.638 18.092 1.00 0.00 N ATOM 1560 CA PRO A 103 17.016 -1.951 16.841 1.00 0.00 C ATOM 1561 C PRO A 103 16.700 -2.929 15.706 1.00 0.00 C ATOM 1562 O PRO A 103 16.351 -4.089 15.908 1.00 0.00 O ATOM 1563 CB PRO A 103 18.271 -1.109 16.580 1.00 0.00 C ATOM 1564 CG PRO A 103 19.374 -1.732 17.438 1.00 0.00 C ATOM 1565 CD PRO A 103 18.682 -2.668 18.425 1.00 0.00 C ATOM 0 HA PRO A 103 16.132 -1.316 16.895 1.00 0.00 H new ATOM 0 HB2 PRO A 103 18.540 -1.125 15.524 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.106 -0.066 16.851 1.00 0.00 H new ATOM 0 HG2 PRO A 103 20.085 -2.279 16.818 1.00 0.00 H new ATOM 0 HG3 PRO A 103 19.937 -0.961 17.964 1.00 0.00 H new ATOM 0 HD2 PRO A 103 19.079 -3.680 18.345 1.00 0.00 H new ATOM 0 HD3 PRO A 103 18.847 -2.341 19.452 1.00 0.00 H new ATOM 1573 N GLY A 104 16.778 -2.434 14.472 1.00 0.00 N ATOM 1574 CA GLY A 104 16.570 -3.248 13.301 1.00 0.00 C ATOM 1575 C GLY A 104 17.540 -2.908 12.180 1.00 0.00 C ATOM 1576 O GLY A 104 18.121 -1.814 12.165 1.00 0.00 O ATOM 0 H GLY A 104 16.988 -1.457 14.268 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.681 -4.299 13.568 1.00 0.00 H new ATOM 0 HA3 GLY A 104 15.548 -3.115 12.946 1.00 0.00 H new ATOM 1580 N PRO A 105 17.725 -3.860 11.252 1.00 0.00 N ATOM 1581 CA PRO A 105 18.613 -3.680 10.116 1.00 0.00 C ATOM 1582 C PRO A 105 17.986 -2.759 9.078 1.00 0.00 C ATOM 1583 O PRO A 105 18.558 -1.712 8.772 1.00 0.00 O ATOM 1584 CB PRO A 105 18.885 -5.087 9.561 1.00 0.00 C ATOM 1585 CG PRO A 105 17.765 -5.976 10.121 1.00 0.00 C ATOM 1586 CD PRO A 105 17.090 -5.176 11.238 1.00 0.00 C ATOM 0 HA PRO A 105 19.548 -3.200 10.404 1.00 0.00 H new ATOM 0 HB2 PRO A 105 18.877 -5.087 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 105 19.865 -5.448 9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 105 17.048 -6.234 9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 105 18.169 -6.913 10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 105 16.019 -5.087 11.058 1.00 0.00 H new ATOM 0 HD3 PRO A 105 17.211 -5.675 12.200 1.00 0.00 H new ATOM 1594 N ALA A 106 16.859 -3.179 8.514 1.00 0.00 N ATOM 1595 CA ALA A 106 16.169 -2.384 7.538 1.00 0.00 C ATOM 1596 C ALA A 106 15.605 -1.141 8.174 1.00 0.00 C ATOM 1597 O ALA A 106 15.010 -1.213 9.256 1.00 0.00 O ATOM 1598 CB ALA A 106 15.086 -3.208 6.930 1.00 0.00 C ATOM 0 H ALA A 106 16.412 -4.071 8.726 1.00 0.00 H new ATOM 0 HA ALA A 106 16.864 -2.069 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.553 -2.616 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.521 -4.085 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.391 -3.526 7.707 1.00 0.00 H new ATOM 1604 N ARG A 107 15.812 -0.007 7.509 1.00 0.00 N ATOM 1605 CA ARG A 107 15.312 1.268 7.973 1.00 0.00 C ATOM 1606 C ARG A 107 14.803 2.104 6.839 1.00 0.00 C ATOM 1607 O ARG A 107 15.364 1.989 5.770 1.00 0.00 O ATOM 1608 CB ARG A 107 16.420 2.003 8.717 1.00 0.00 C ATOM 1609 CG ARG A 107 16.853 1.239 9.967 1.00 0.00 C ATOM 1610 CD ARG A 107 17.169 2.170 11.126 1.00 0.00 C ATOM 1611 NE ARG A 107 18.484 1.866 11.679 1.00 0.00 N ATOM 1612 CZ ARG A 107 19.620 1.935 11.019 1.00 0.00 C ATOM 1613 NH1 ARG A 107 19.641 2.289 9.765 1.00 0.00 N ATOM 1614 NH2 ARG A 107 20.752 1.704 11.622 1.00 0.00 N ATOM 0 H ARG A 107 16.333 0.045 6.633 1.00 0.00 H new ATOM 0 HA ARG A 107 14.474 1.087 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.276 2.138 8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.074 2.998 8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.062 0.549 10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.732 0.636 9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 107 17.141 3.206 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.409 2.067 11.901 1.00 0.00 H new ATOM 0 HE ARG A 107 18.526 1.577 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 107 18.770 2.516 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 107 20.528 2.339 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.762 1.467 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.628 1.760 11.102 1.00 0.00 H new ATOM 1628 N VAL A 108 13.783 2.914 7.056 1.00 0.00 N ATOM 1629 CA VAL A 108 13.226 3.807 6.061 1.00 0.00 C ATOM 1630 C VAL A 108 14.015 5.093 5.986 1.00 0.00 C ATOM 1631 O VAL A 108 14.171 5.779 6.985 1.00 0.00 O ATOM 1632 CB VAL A 108 11.757 4.054 6.366 1.00 0.00 C ATOM 1633 CG1 VAL A 108 11.534 4.488 7.799 1.00 0.00 C ATOM 1634 CG2 VAL A 108 11.196 5.089 5.423 1.00 0.00 C ATOM 0 H VAL A 108 13.307 2.969 7.956 1.00 0.00 H new ATOM 0 HA VAL A 108 13.295 3.341 5.078 1.00 0.00 H new ATOM 0 HB VAL A 108 11.235 3.108 6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.470 4.652 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.893 3.712 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.078 5.413 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.144 5.257 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.746 6.023 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.292 4.736 4.396 1.00 0.00 H new ATOM 1644 N ILE A 109 14.572 5.391 4.824 1.00 0.00 N ATOM 1645 CA ILE A 109 15.424 6.548 4.638 1.00 0.00 C ATOM 1646 C ILE A 109 14.608 7.558 3.865 1.00 0.00 C ATOM 1647 O ILE A 109 14.113 7.270 2.768 1.00 0.00 O ATOM 1648 CB ILE A 109 16.739 6.146 3.964 1.00 0.00 C ATOM 1649 CG1 ILE A 109 17.703 5.509 4.971 1.00 0.00 C ATOM 1650 CG2 ILE A 109 17.383 7.350 3.330 1.00 0.00 C ATOM 1651 CD1 ILE A 109 17.104 4.254 5.567 1.00 0.00 C ATOM 0 H ILE A 109 14.444 4.832 3.980 1.00 0.00 H new ATOM 0 HA ILE A 109 15.733 6.998 5.582 1.00 0.00 H new ATOM 0 HB ILE A 109 16.513 5.409 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 109 18.645 5.269 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 109 17.931 6.221 5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 109 18.317 7.054 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 109 16.711 7.770 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 109 17.587 8.099 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 109 17.805 3.819 6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 109 16.174 4.502 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 109 16.900 3.536 4.773 1.00 0.00 H new ATOM 1663 N TYR A 110 14.486 8.749 4.428 1.00 0.00 N ATOM 1664 CA TYR A 110 13.742 9.824 3.819 1.00 0.00 C ATOM 1665 C TYR A 110 14.422 11.154 4.049 1.00 0.00 C ATOM 1666 O TYR A 110 15.270 11.302 4.927 1.00 0.00 O ATOM 1667 CB TYR A 110 12.369 9.849 4.479 1.00 0.00 C ATOM 1668 CG TYR A 110 12.446 10.076 5.979 1.00 0.00 C ATOM 1669 CD1 TYR A 110 12.733 11.349 6.489 1.00 0.00 C ATOM 1670 CD2 TYR A 110 12.201 9.021 6.875 1.00 0.00 C ATOM 1671 CE1 TYR A 110 12.771 11.592 7.864 1.00 0.00 C ATOM 1672 CE2 TYR A 110 12.241 9.253 8.265 1.00 0.00 C ATOM 1673 CZ TYR A 110 12.528 10.540 8.759 1.00 0.00 C ATOM 1674 OH TYR A 110 12.561 10.762 10.098 1.00 0.00 O ATOM 0 H TYR A 110 14.905 8.992 5.326 1.00 0.00 H new ATOM 0 HA TYR A 110 13.673 9.663 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.767 10.637 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 110 11.859 8.906 4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 110 12.929 12.160 5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 110 11.982 8.033 6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 110 12.986 12.583 8.235 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.051 8.442 8.952 1.00 0.00 H new ATOM 0 HH TYR A 110 12.370 9.926 10.573 1.00 0.00 H new ATOM 1684 N THR A 111 14.023 12.150 3.282 1.00 0.00 N ATOM 1685 CA THR A 111 14.616 13.478 3.353 1.00 0.00 C ATOM 1686 C THR A 111 13.841 14.325 4.323 1.00 0.00 C ATOM 1687 O THR A 111 12.724 13.995 4.683 1.00 0.00 O ATOM 1688 CB THR A 111 14.670 14.098 1.959 1.00 0.00 C ATOM 1689 OG1 THR A 111 13.466 14.748 1.664 1.00 0.00 O ATOM 1690 CG2 THR A 111 14.784 13.032 0.876 1.00 0.00 C ATOM 0 H THR A 111 13.278 12.065 2.590 1.00 0.00 H new ATOM 0 HA THR A 111 15.641 13.411 3.718 1.00 0.00 H new ATOM 0 HB THR A 111 15.529 14.769 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 111 13.518 15.141 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 111 14.820 13.510 -0.103 1.00 0.00 H new ATOM 0 HG22 THR A 111 15.694 12.452 1.030 1.00 0.00 H new ATOM 0 HG23 THR A 111 13.920 12.370 0.925 1.00 0.00 H new ATOM 1698 N TYR A 112 14.415 15.429 4.760 1.00 0.00 N ATOM 1699 CA TYR A 112 13.792 16.325 5.691 1.00 0.00 C ATOM 1700 C TYR A 112 13.569 17.698 5.052 1.00 0.00 C ATOM 1701 O TYR A 112 14.393 18.139 4.249 1.00 0.00 O ATOM 1702 CB TYR A 112 14.628 16.381 6.969 1.00 0.00 C ATOM 1703 CG TYR A 112 14.394 17.569 7.881 1.00 0.00 C ATOM 1704 CD1 TYR A 112 14.659 18.871 7.432 1.00 0.00 C ATOM 1705 CD2 TYR A 112 13.814 17.395 9.143 1.00 0.00 C ATOM 1706 CE1 TYR A 112 14.423 19.995 8.228 1.00 0.00 C ATOM 1707 CE2 TYR A 112 13.566 18.512 9.963 1.00 0.00 C ATOM 1708 CZ TYR A 112 13.893 19.809 9.513 1.00 0.00 C ATOM 1709 OH TYR A 112 13.664 20.893 10.294 1.00 0.00 O ATOM 0 H TYR A 112 15.346 15.726 4.467 1.00 0.00 H new ATOM 0 HA TYR A 112 12.802 15.959 5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 112 14.440 15.471 7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 112 15.681 16.369 6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.059 19.009 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 112 13.557 16.404 9.487 1.00 0.00 H new ATOM 0 HE1 TYR A 112 14.644 20.986 7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 112 13.124 18.376 10.939 1.00 0.00 H new ATOM 0 HH TYR A 112 13.295 20.604 11.155 1.00 0.00 H new ATOM 1719 N PRO A 113 12.544 18.439 5.515 1.00 0.00 N ATOM 1720 CA PRO A 113 11.598 17.929 6.499 1.00 0.00 C ATOM 1721 C PRO A 113 10.676 16.931 5.841 1.00 0.00 C ATOM 1722 O PRO A 113 10.589 15.805 6.308 1.00 0.00 O ATOM 1723 CB PRO A 113 10.856 19.114 7.094 1.00 0.00 C ATOM 1724 CG PRO A 113 11.095 20.249 6.095 1.00 0.00 C ATOM 1725 CD PRO A 113 12.242 19.813 5.167 1.00 0.00 C ATOM 0 HA PRO A 113 12.104 17.402 7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.793 18.901 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 113 11.238 19.367 8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.191 20.450 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.353 21.171 6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.948 19.894 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 113 13.116 20.450 5.303 1.00 0.00 H new ATOM 1733 N ASN A 114 10.062 17.311 4.728 1.00 0.00 N ATOM 1734 CA ASN A 114 9.154 16.460 4.008 1.00 0.00 C ATOM 1735 C ASN A 114 9.693 15.064 3.955 1.00 0.00 C ATOM 1736 O ASN A 114 10.722 14.962 3.309 1.00 0.00 O ATOM 1737 CB ASN A 114 9.000 16.964 2.576 1.00 0.00 C ATOM 1738 CG ASN A 114 7.979 16.135 1.818 1.00 0.00 C ATOM 1739 OD1 ASN A 114 7.317 15.255 2.347 1.00 0.00 O ATOM 1740 ND2 ASN A 114 7.819 16.431 0.551 1.00 0.00 N ATOM 0 H ASN A 114 10.189 18.230 4.304 1.00 0.00 H new ATOM 0 HA ASN A 114 8.191 16.471 4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 114 8.691 18.009 2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.962 16.920 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.134 15.924 -0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.380 17.169 0.125 1.00 0.00 H new ATOM 1747 N LYS A 115 9.065 14.094 4.635 1.00 0.00 N ATOM 1748 CA LYS A 115 9.500 12.715 4.686 1.00 0.00 C ATOM 1749 C LYS A 115 9.375 12.121 3.306 1.00 0.00 C ATOM 1750 O LYS A 115 8.488 11.304 3.091 1.00 0.00 O ATOM 1751 CB LYS A 115 8.691 11.957 5.742 1.00 0.00 C ATOM 1752 CG LYS A 115 9.608 11.323 6.768 1.00 0.00 C ATOM 1753 CD LYS A 115 8.903 11.054 8.087 1.00 0.00 C ATOM 1754 CE LYS A 115 8.319 12.309 8.706 1.00 0.00 C ATOM 1755 NZ LYS A 115 6.900 12.469 8.344 1.00 0.00 N ATOM 0 H LYS A 115 8.217 14.265 5.176 1.00 0.00 H new ATOM 0 HA LYS A 115 10.546 12.642 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.001 12.640 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.088 11.187 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.000 10.387 6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.462 11.978 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.106 10.328 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.608 10.604 8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.418 12.263 9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.883 13.180 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.740 13.432 7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.650 11.779 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.307 12.308 9.183 1.00 0.00 H new ATOM 1769 N VAL A 116 10.199 12.556 2.359 1.00 0.00 N ATOM 1770 CA VAL A 116 10.189 12.136 0.976 1.00 0.00 C ATOM 1771 C VAL A 116 10.782 10.739 0.958 1.00 0.00 C ATOM 1772 O VAL A 116 11.900 10.513 0.516 1.00 0.00 O ATOM 1773 CB VAL A 116 10.957 13.133 0.098 1.00 0.00 C ATOM 1774 CG1 VAL A 116 11.303 12.525 -1.256 1.00 0.00 C ATOM 1775 CG2 VAL A 116 10.167 14.417 -0.102 1.00 0.00 C ATOM 0 H VAL A 116 10.926 13.245 2.552 1.00 0.00 H new ATOM 0 HA VAL A 116 9.182 12.114 0.558 1.00 0.00 H new ATOM 0 HB VAL A 116 11.883 13.372 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.847 13.256 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.924 11.641 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.386 12.242 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 116 10.739 15.102 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.218 14.188 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.978 14.882 0.865 1.00 0.00 H new ATOM 1785 N PHE A 117 10.103 9.793 1.594 1.00 0.00 N ATOM 1786 CA PHE A 117 10.493 8.417 1.667 1.00 0.00 C ATOM 1787 C PHE A 117 11.119 8.011 0.344 1.00 0.00 C ATOM 1788 O PHE A 117 10.515 8.209 -0.715 1.00 0.00 O ATOM 1789 CB PHE A 117 9.243 7.602 1.969 1.00 0.00 C ATOM 1790 CG PHE A 117 9.447 6.122 1.794 1.00 0.00 C ATOM 1791 CD1 PHE A 117 9.619 5.549 0.526 1.00 0.00 C ATOM 1792 CD2 PHE A 117 9.432 5.295 2.905 1.00 0.00 C ATOM 1793 CE1 PHE A 117 9.853 4.187 0.377 1.00 0.00 C ATOM 1794 CE2 PHE A 117 9.648 3.926 2.762 1.00 0.00 C ATOM 1795 CZ PHE A 117 9.901 3.377 1.511 1.00 0.00 C ATOM 0 H PHE A 117 9.232 9.986 2.089 1.00 0.00 H new ATOM 0 HA PHE A 117 11.231 8.246 2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 117 8.926 7.800 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 117 8.435 7.931 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 117 9.569 6.177 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 117 9.252 5.712 3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 117 9.996 3.761 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.619 3.286 3.631 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.134 2.327 1.417 1.00 0.00 H new ATOM 1805 N CYS A 118 12.340 7.497 0.413 1.00 0.00 N ATOM 1806 CA CYS A 118 13.017 7.021 -0.764 1.00 0.00 C ATOM 1807 C CYS A 118 12.929 5.496 -0.818 1.00 0.00 C ATOM 1808 O CYS A 118 12.771 4.903 -1.888 1.00 0.00 O ATOM 1809 CB CYS A 118 14.456 7.521 -0.742 1.00 0.00 C ATOM 1810 SG CYS A 118 14.818 8.676 -2.047 1.00 0.00 S ATOM 0 H CYS A 118 12.874 7.403 1.277 1.00 0.00 H new ATOM 0 HA CYS A 118 12.545 7.405 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 118 14.654 7.995 0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 118 15.131 6.669 -0.822 1.00 0.00 H new ATOM 1815 N GLY A 119 13.039 4.858 0.350 1.00 0.00 N ATOM 1816 CA GLY A 119 13.005 3.418 0.454 1.00 0.00 C ATOM 1817 C GLY A 119 13.645 2.950 1.730 1.00 0.00 C ATOM 1818 O GLY A 119 13.761 3.703 2.692 1.00 0.00 O ATOM 0 H GLY A 119 13.154 5.336 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 119 11.972 3.072 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 119 13.522 2.977 -0.398 1.00 0.00 H new ATOM 1822 N ILE A 120 14.040 1.688 1.750 1.00 0.00 N ATOM 1823 CA ILE A 120 14.635 1.099 2.931 1.00 0.00 C ATOM 1824 C ILE A 120 16.024 0.684 2.587 1.00 0.00 C ATOM 1825 O ILE A 120 16.219 0.270 1.471 1.00 0.00 O ATOM 1826 CB ILE A 120 13.762 -0.027 3.494 1.00 0.00 C ATOM 1827 CG1 ILE A 120 12.480 0.551 4.100 1.00 0.00 C ATOM 1828 CG2 ILE A 120 14.491 -0.839 4.554 1.00 0.00 C ATOM 1829 CD1 ILE A 120 11.469 0.868 3.007 1.00 0.00 C ATOM 0 H ILE A 120 13.958 1.052 0.957 1.00 0.00 H new ATOM 0 HA ILE A 120 14.693 1.824 3.743 1.00 0.00 H new ATOM 0 HB ILE A 120 13.519 -0.690 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.051 -0.161 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.712 1.456 4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 120 13.834 -1.626 4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.384 -1.287 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 120 14.778 -0.187 5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 120 10.564 1.278 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 120 11.895 1.598 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.223 -0.044 2.463 1.00 0.00 H new ATOM 1841 N ILE A 121 16.991 0.758 3.474 1.00 0.00 N ATOM 1842 CA ILE A 121 18.351 0.337 3.230 1.00 0.00 C ATOM 1843 C ILE A 121 18.637 -0.907 4.041 1.00 0.00 C ATOM 1844 O ILE A 121 18.016 -1.127 5.078 1.00 0.00 O ATOM 1845 CB ILE A 121 19.321 1.484 3.521 1.00 0.00 C ATOM 1846 CG1 ILE A 121 19.577 1.617 5.028 1.00 0.00 C ATOM 1847 CG2 ILE A 121 18.805 2.795 2.901 1.00 0.00 C ATOM 1848 CD1 ILE A 121 20.567 2.730 5.316 1.00 0.00 C ATOM 0 H ILE A 121 16.847 1.125 4.415 1.00 0.00 H new ATOM 0 HA ILE A 121 18.490 0.081 2.180 1.00 0.00 H new ATOM 0 HB ILE A 121 20.280 1.258 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 121 18.638 1.819 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.960 0.675 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 121 19.507 3.601 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 121 18.712 2.675 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 121 17.831 3.039 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.730 2.803 6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 121 21.513 2.513 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 121 20.170 3.675 4.945 1.00 0.00 H new ATOM 1860 N ALA A 122 19.632 -1.684 3.650 1.00 0.00 N ATOM 1861 CA ALA A 122 20.019 -2.898 4.321 1.00 0.00 C ATOM 1862 C ALA A 122 21.156 -3.552 3.572 1.00 0.00 C ATOM 1863 O ALA A 122 21.379 -3.287 2.404 1.00 0.00 O ATOM 1864 CB ALA A 122 18.822 -3.839 4.420 1.00 0.00 C ATOM 0 H ALA A 122 20.205 -1.476 2.832 1.00 0.00 H new ATOM 0 HA ALA A 122 20.357 -2.665 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 122 19.121 -4.756 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.024 -3.355 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 122 18.465 -4.080 3.419 1.00 0.00 H new ATOM 1870 N HIS A 123 21.902 -4.409 4.248 1.00 0.00 N ATOM 1871 CA HIS A 123 23.042 -5.088 3.683 1.00 0.00 C ATOM 1872 C HIS A 123 22.585 -6.402 3.093 1.00 0.00 C ATOM 1873 O HIS A 123 22.515 -7.416 3.769 1.00 0.00 O ATOM 1874 CB HIS A 123 24.152 -5.277 4.725 1.00 0.00 C ATOM 1875 CG HIS A 123 24.144 -4.287 5.856 1.00 0.00 C ATOM 1876 ND1 HIS A 123 25.074 -3.285 6.024 1.00 0.00 N ATOM 1877 CD2 HIS A 123 23.235 -4.224 6.883 1.00 0.00 C ATOM 1878 CE1 HIS A 123 24.759 -2.643 7.170 1.00 0.00 C ATOM 1879 NE2 HIS A 123 23.614 -3.155 7.678 1.00 0.00 N ATOM 0 H HIS A 123 21.724 -4.653 5.222 1.00 0.00 H new ATOM 0 HA HIS A 123 23.473 -4.479 2.889 1.00 0.00 H new ATOM 0 HB2 HIS A 123 24.070 -6.281 5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 123 25.116 -5.219 4.220 1.00 0.00 H new ATOM 0 HD2 HIS A 123 22.391 -4.879 7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 123 25.333 -1.843 7.613 1.00 0.00 H new ATOM 0 HE2 HIS A 123 23.118 -2.814 8.501 1.00 0.00 H new ATOM 1888 N THR A 124 22.330 -6.407 1.802 1.00 0.00 N ATOM 1889 CA THR A 124 21.819 -7.578 1.090 1.00 0.00 C ATOM 1890 C THR A 124 22.952 -8.216 0.311 1.00 0.00 C ATOM 1891 O THR A 124 22.859 -8.446 -0.889 1.00 0.00 O ATOM 1892 CB THR A 124 20.634 -7.172 0.200 1.00 0.00 C ATOM 1893 OG1 THR A 124 20.863 -5.880 -0.307 1.00 0.00 O ATOM 1894 CG2 THR A 124 19.362 -6.999 1.014 1.00 0.00 C ATOM 0 H THR A 124 22.470 -5.593 1.203 1.00 0.00 H new ATOM 0 HA THR A 124 21.442 -8.323 1.791 1.00 0.00 H new ATOM 0 HB THR A 124 20.536 -7.947 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 124 20.112 -5.615 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 124 18.544 -6.712 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 124 19.116 -7.938 1.509 1.00 0.00 H new ATOM 0 HG23 THR A 124 19.513 -6.222 1.764 1.00 0.00 H new ATOM 1902 N LYS A 125 24.117 -8.338 0.955 1.00 0.00 N ATOM 1903 CA LYS A 125 25.276 -8.981 0.357 1.00 0.00 C ATOM 1904 C LYS A 125 25.505 -10.363 0.966 1.00 0.00 C ATOM 1905 O LYS A 125 26.123 -11.193 0.318 1.00 0.00 O ATOM 1906 CB LYS A 125 26.482 -8.048 0.504 1.00 0.00 C ATOM 1907 CG LYS A 125 27.690 -8.564 -0.293 1.00 0.00 C ATOM 1908 CD LYS A 125 27.939 -7.712 -1.538 1.00 0.00 C ATOM 1909 CE LYS A 125 29.206 -8.185 -2.259 1.00 0.00 C ATOM 1910 NZ LYS A 125 29.042 -8.058 -3.725 1.00 0.00 N ATOM 0 H LYS A 125 24.276 -7.993 1.902 1.00 0.00 H new ATOM 0 HA LYS A 125 25.111 -9.153 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 125 26.216 -7.049 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 125 26.750 -7.960 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 125 28.577 -8.554 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 125 27.519 -9.600 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 125 27.083 -7.778 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 125 28.042 -6.664 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 125 30.061 -7.595 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 125 29.415 -9.223 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 29.908 -8.382 -4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 28.238 -8.640 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 28.864 -7.063 -3.970 1.00 0.00 H new ATOM 1924 N GLU A 126 25.020 -10.578 2.188 1.00 0.00 N ATOM 1925 CA GLU A 126 25.147 -11.867 2.857 1.00 0.00 C ATOM 1926 C GLU A 126 24.405 -11.862 4.189 1.00 0.00 C ATOM 1927 O GLU A 126 23.278 -12.330 4.269 1.00 0.00 O ATOM 1928 CB GLU A 126 26.633 -12.185 3.048 1.00 0.00 C ATOM 1929 CG GLU A 126 26.954 -13.578 2.521 1.00 0.00 C ATOM 1930 CD GLU A 126 26.423 -14.685 3.441 1.00 0.00 C ATOM 1931 OE1 GLU A 126 26.444 -14.508 4.672 1.00 0.00 O ATOM 1932 OE2 GLU A 126 25.990 -15.719 2.903 1.00 0.00 O ATOM 0 H GLU A 126 24.533 -9.869 2.736 1.00 0.00 H new ATOM 0 HA GLU A 126 24.694 -12.644 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 126 27.239 -11.444 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 126 26.891 -12.121 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 126 26.522 -13.696 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 126 28.034 -13.684 2.414 1.00 0.00 H new ATOM 1939 N ASN A 127 24.942 -11.129 5.166 1.00 0.00 N ATOM 1940 CA ASN A 127 24.402 -11.054 6.503 1.00 0.00 C ATOM 1941 C ASN A 127 24.431 -9.604 6.936 1.00 0.00 C ATOM 1942 O ASN A 127 23.422 -9.019 7.311 1.00 0.00 O ATOM 1943 CB ASN A 127 25.184 -11.922 7.510 1.00 0.00 C ATOM 1944 CG ASN A 127 26.683 -11.929 7.280 1.00 0.00 C ATOM 1945 OD1 ASN A 127 27.244 -12.526 6.410 1.00 0.00 O ATOM 1946 ND2 ASN A 127 27.411 -11.078 7.947 1.00 0.00 N ATOM 0 H ASN A 127 25.781 -10.564 5.036 1.00 0.00 H new ATOM 0 HA ASN A 127 23.384 -11.442 6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 127 24.983 -11.562 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 127 24.813 -12.946 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 127 28.396 -10.956 7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 127 26.996 -10.534 8.703 1.00 0.00 H new ATOM 1953 N GLN A 128 25.618 -8.999 6.887 1.00 0.00 N ATOM 1954 CA GLN A 128 25.828 -7.635 7.299 1.00 0.00 C ATOM 1955 C GLN A 128 27.154 -7.106 6.764 1.00 0.00 C ATOM 1956 O GLN A 128 28.158 -7.053 7.463 1.00 0.00 O ATOM 1957 CB GLN A 128 25.738 -7.517 8.826 1.00 0.00 C ATOM 1958 CG GLN A 128 24.458 -6.791 9.244 1.00 0.00 C ATOM 1959 CD GLN A 128 24.680 -5.803 10.377 1.00 0.00 C ATOM 1960 OE1 GLN A 128 25.717 -5.689 10.998 1.00 0.00 O ATOM 1961 NE2 GLN A 128 23.694 -4.966 10.621 1.00 0.00 N ATOM 0 H GLN A 128 26.465 -9.460 6.553 1.00 0.00 H new ATOM 0 HA GLN A 128 25.039 -7.015 6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 128 25.760 -8.511 9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 128 26.606 -6.978 9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 128 24.049 -6.262 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 128 23.713 -7.526 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 128 22.816 -5.048 10.108 1.00 0.00 H new ATOM 0 HE22 GLN A 128 23.808 -4.235 11.323 1.00 0.00 H new ATOM 1970 N GLY A 129 27.169 -6.749 5.481 1.00 0.00 N ATOM 1971 CA GLY A 129 28.374 -6.234 4.851 1.00 0.00 C ATOM 1972 C GLY A 129 28.210 -4.773 4.492 1.00 0.00 C ATOM 1973 O GLY A 129 28.164 -3.890 5.346 1.00 0.00 O ATOM 0 H GLY A 129 26.360 -6.808 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 129 29.222 -6.355 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 129 28.596 -6.811 3.953 1.00 0.00 H new ATOM 1977 N GLU A 130 27.973 -4.507 3.212 1.00 0.00 N ATOM 1978 CA GLU A 130 27.798 -3.144 2.730 1.00 0.00 C ATOM 1979 C GLU A 130 26.339 -2.752 2.744 1.00 0.00 C ATOM 1980 O GLU A 130 25.469 -3.595 2.558 1.00 0.00 O ATOM 1981 CB GLU A 130 28.364 -2.996 1.316 1.00 0.00 C ATOM 1982 CG GLU A 130 29.619 -2.109 1.330 1.00 0.00 C ATOM 1983 CD GLU A 130 30.720 -2.697 0.447 1.00 0.00 C ATOM 1984 OE1 GLU A 130 30.363 -3.293 -0.600 1.00 0.00 O ATOM 1985 OE2 GLU A 130 31.887 -2.602 0.876 1.00 0.00 O ATOM 0 H GLU A 130 27.898 -5.221 2.488 1.00 0.00 H new ATOM 0 HA GLU A 130 28.344 -2.479 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 130 28.610 -3.978 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 130 27.611 -2.560 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 130 29.364 -1.108 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 130 29.984 -2.007 2.352 1.00 0.00 H new ATOM 1992 N LEU A 131 26.050 -1.479 2.980 1.00 0.00 N ATOM 1993 CA LEU A 131 24.689 -0.983 2.975 1.00 0.00 C ATOM 1994 C LEU A 131 24.229 -0.665 1.556 1.00 0.00 C ATOM 1995 O LEU A 131 25.004 -0.259 0.698 1.00 0.00 O ATOM 1996 CB LEU A 131 24.601 0.252 3.879 1.00 0.00 C ATOM 1997 CG LEU A 131 24.391 -0.078 5.352 1.00 0.00 C ATOM 1998 CD1 LEU A 131 24.413 1.175 6.217 1.00 0.00 C ATOM 1999 CD2 LEU A 131 23.076 -0.841 5.574 1.00 0.00 C ATOM 0 H LEU A 131 26.753 -0.767 3.179 1.00 0.00 H new ATOM 0 HA LEU A 131 24.023 -1.754 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 131 25.517 0.834 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 131 23.781 0.883 3.537 1.00 0.00 H new ATOM 0 HG LEU A 131 25.221 -0.718 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 131 24.260 0.900 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 131 25.376 1.674 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 131 23.618 1.850 5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 131 22.957 -1.061 6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 131 22.239 -0.231 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 131 23.097 -1.774 5.011 1.00 0.00 H new ATOM 2011 N LYS A 132 22.948 -0.889 1.300 1.00 0.00 N ATOM 2012 CA LYS A 132 22.349 -0.700 -0.019 1.00 0.00 C ATOM 2013 C LYS A 132 20.866 -0.485 0.116 1.00 0.00 C ATOM 2014 O LYS A 132 20.354 -0.631 1.213 1.00 0.00 O ATOM 2015 CB LYS A 132 22.685 -1.855 -0.955 1.00 0.00 C ATOM 2016 CG LYS A 132 22.536 -3.226 -0.293 1.00 0.00 C ATOM 2017 CD LYS A 132 23.241 -4.312 -1.093 1.00 0.00 C ATOM 2018 CE LYS A 132 24.739 -4.051 -1.191 1.00 0.00 C ATOM 2019 NZ LYS A 132 25.438 -5.270 -1.638 1.00 0.00 N ATOM 0 H LYS A 132 22.287 -1.210 2.007 1.00 0.00 H new ATOM 0 HA LYS A 132 22.776 0.194 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 132 22.035 -1.808 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 132 23.708 -1.740 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 132 22.948 -3.191 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 132 21.478 -3.472 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 132 23.069 -5.281 -0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 132 22.813 -4.363 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 132 24.929 -3.237 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 132 25.125 -3.736 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 26.352 -5.345 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 24.857 -6.104 -1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 25.598 -5.222 -2.664 1.00 0.00 H new ATOM 2033 N LEU A 133 20.197 -0.090 -0.952 1.00 0.00 N ATOM 2034 CA LEU A 133 18.763 0.129 -0.934 1.00 0.00 C ATOM 2035 C LEU A 133 18.065 -1.209 -1.155 1.00 0.00 C ATOM 2036 O LEU A 133 18.546 -2.032 -1.935 1.00 0.00 O ATOM 2037 CB LEU A 133 18.407 1.175 -1.993 1.00 0.00 C ATOM 2038 CG LEU A 133 17.165 2.001 -1.649 1.00 0.00 C ATOM 2039 CD1 LEU A 133 17.404 2.868 -0.426 1.00 0.00 C ATOM 2040 CD2 LEU A 133 16.746 2.848 -2.846 1.00 0.00 C ATOM 0 H LEU A 133 20.633 0.088 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 133 18.426 0.519 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 133 19.254 1.848 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 133 18.246 0.673 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 133 16.353 1.314 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 133 16.504 3.443 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 133 17.647 2.235 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 133 18.232 3.550 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 133 15.862 3.430 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 133 17.558 3.522 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 133 16.518 2.197 -3.690 1.00 0.00 H new ATOM 2052 N CYS A 134 16.979 -1.440 -0.427 1.00 0.00 N ATOM 2053 CA CYS A 134 16.143 -2.610 -0.516 1.00 0.00 C ATOM 2054 C CYS A 134 15.605 -2.717 -1.942 1.00 0.00 C ATOM 2055 O CYS A 134 15.893 -1.934 -2.851 1.00 0.00 O ATOM 2056 CB CYS A 134 15.011 -2.588 0.524 1.00 0.00 C ATOM 2057 SG CYS A 134 15.663 -2.587 2.200 1.00 0.00 S ATOM 0 H CYS A 134 16.649 -0.777 0.274 1.00 0.00 H new ATOM 0 HA CYS A 134 16.737 -3.495 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 134 14.392 -1.704 0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 134 14.367 -3.456 0.382 1.00 0.00 H new ATOM 2062 N SER A 135 14.730 -3.675 -2.151 1.00 0.00 N ATOM 2063 CA SER A 135 14.145 -3.884 -3.460 1.00 0.00 C ATOM 2064 C SER A 135 12.979 -4.820 -3.319 1.00 0.00 C ATOM 2065 O SER A 135 13.177 -5.897 -2.770 1.00 0.00 O ATOM 2066 CB SER A 135 15.201 -4.460 -4.413 1.00 0.00 C ATOM 2067 OG SER A 135 14.700 -5.428 -5.301 1.00 0.00 O ATOM 0 H SER A 135 14.407 -4.323 -1.432 1.00 0.00 H new ATOM 0 HA SER A 135 13.796 -2.939 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 135 15.639 -3.645 -4.989 1.00 0.00 H new ATOM 0 HB3 SER A 135 16.005 -4.903 -3.824 1.00 0.00 H new ATOM 0 HG SER A 135 15.425 -5.749 -5.877 1.00 0.00 H new ATOM 2073 N HIS A 136 11.791 -4.352 -3.717 1.00 0.00 N ATOM 2074 CA HIS A 136 10.579 -5.163 -3.697 1.00 0.00 C ATOM 2075 C HIS A 136 10.861 -6.629 -4.099 1.00 0.00 C ATOM 2076 O HIS A 136 11.348 -6.783 -5.243 1.00 0.00 O ATOM 2077 CB HIS A 136 9.495 -4.512 -4.563 1.00 0.00 C ATOM 2078 CG HIS A 136 9.535 -3.004 -4.643 1.00 0.00 C ATOM 2079 ND1 HIS A 136 9.942 -2.299 -5.757 1.00 0.00 N ATOM 2080 CD2 HIS A 136 9.240 -2.110 -3.650 1.00 0.00 C ATOM 2081 CE1 HIS A 136 9.865 -0.986 -5.463 1.00 0.00 C ATOM 2082 NE2 HIS A 136 9.429 -0.846 -4.193 1.00 0.00 N ATOM 2083 OXT HIS A 136 10.641 -7.487 -3.215 1.00 0.00 O ATOM 0 H HIS A 136 11.648 -3.402 -4.060 1.00 0.00 H new ATOM 0 HA HIS A 136 10.206 -5.203 -2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 136 9.574 -4.913 -5.574 1.00 0.00 H new ATOM 0 HB3 HIS A 136 8.520 -4.811 -4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 136 8.923 -2.341 -2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 136 10.112 -0.177 -6.134 1.00 0.00 H new ATOM 0 HE2 HIS A 136 9.266 0.039 -3.713 1.00 0.00 H new TER 2092 HIS A 136