USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1060 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 86 CYS SG : rot 180:sc= -0.896! USER MOD Set 1.2: A 87 THR OG1 : rot -19:sc= -1.55! USER MOD Set 1.3: A 109 LYS NZ :NH3+ 159:sc= -0.898! (180deg=-0.867) USER MOD Set 2.1: A 99 THR OG1 : rot 123:sc= 0.602 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.551 USER MOD Set 3.1: A 42 ASN : amide:sc= -1.35 K(o=-10,f=-6.3!) USER MOD Set 3.2: A 82 ASN : amide:sc= -8.91! C(o=-10!,f=-4.7!) USER MOD Set 4.1: A 16 SER OG : rot -85:sc= 0.0285 USER MOD Set 4.2: A 19 ASN : amide:sc= -1.57! K(o=-1.5!,f=-4.4) USER MOD Single : A 6 SER OG : rot 170:sc= -0.0409 USER MOD Single : A 7 GLN : amide:sc= -1.4! C(o=-1.4!,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.294 (180deg=-0.971) USER MOD Single : A 22 ASN : amide:sc= -1.75 K(o=-1.8,f=-3!) USER MOD Single : A 23 HIS : no HD1:sc= -1.29! C(o=-1.3!,f=-12!) USER MOD Single : A 25 CYS SG : rot 170:sc= -0.921 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.0738 (180deg=-0.571) USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= -2.3 (180deg=-4.77!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -152:sc= -2.35! USER MOD Single : A 48 SER OG : rot -47:sc= 0.99 USER MOD Single : A 49 CYS SG : rot 165:sc= -4.11! USER MOD Single : A 52 TYR OH : rot 2:sc= -0.0947 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -5.14! (180deg=-5.14!) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= -0.0969 (180deg=-0.96) USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= -0.38 (180deg=-1.51!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.493 USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= -0.477 (180deg=-2.27!) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.056 (180deg=-0.409) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.246 (180deg=-1.12!) USER MOD Single : A 69 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0466 USER MOD Single : A 76 GLN : amide:sc=-0.00773 K(o=-0.0077,f=-1.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0.981 (180deg=0.632) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 72:sc= 0.126 USER MOD Single : A 92 SER OG : rot -51:sc= 0.661 USER MOD Single : A 94 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.3) USER MOD Single : A 95 MET CE :methyl 179:sc= -3.02 (180deg=-3.08) USER MOD Single : A 102 CYS SG : rot -104:sc= 1.83 USER MOD Single : A 107 GLN : amide:sc= -4.42! C(o=-4.4!,f=-5.7!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1 K(o=-1,f=-0.025) USER MOD Single : A 114 MET CE :methyl -169:sc= -1.28 (180deg=-1.79) USER MOD Single : A 116 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.614) USER MOD Single : A 118 SER OG : rot -70:sc= 0.0964 USER MOD Single : A 119 TYR OH : rot -145:sc= -3.66! USER MOD Single : A 124 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0665) USER MOD Single : A 125 SER OG : rot 37:sc= 0.857 USER MOD Single : A 128 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 132 THR OG1 : rot -101:sc= -0.152 USER MOD Single : A 133 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -7.912 2.345 -13.146 1.00 17.32 N ATOM 2 CA VAL A 5 -8.707 1.580 -12.133 1.00 16.53 C ATOM 3 C VAL A 5 -10.181 1.978 -12.221 1.00 15.62 C ATOM 4 O VAL A 5 -10.514 3.096 -12.568 1.00 15.21 O ATOM 5 CB VAL A 5 -8.172 1.898 -10.735 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.232 3.406 -10.477 1.00 18.70 C ATOM 7 CG2 VAL A 5 -9.008 1.161 -9.684 1.00 17.86 C ATOM 0 HA VAL A 5 -8.616 0.512 -12.329 1.00 16.53 H new ATOM 0 HB VAL A 5 -7.135 1.569 -10.670 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -7.849 3.620 -9.479 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -7.625 3.926 -11.218 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.265 3.747 -10.550 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -8.625 1.389 -8.689 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -10.047 1.482 -9.755 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -8.947 0.087 -9.859 1.00 17.86 H new ATOM 17 N SER A 6 -11.066 1.073 -11.909 1.00 15.43 N ATOM 18 CA SER A 6 -12.518 1.396 -11.974 1.00 14.66 C ATOM 19 C SER A 6 -12.914 2.261 -10.779 1.00 13.40 C ATOM 20 O SER A 6 -12.246 2.285 -9.763 1.00 12.58 O ATOM 21 CB SER A 6 -13.328 0.099 -11.944 1.00 15.49 C ATOM 22 OG SER A 6 -13.229 -0.486 -10.651 1.00 15.97 O ATOM 0 H SER A 6 -10.846 0.122 -11.611 1.00 15.43 H new ATOM 0 HA SER A 6 -12.721 1.940 -12.896 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.371 0.302 -12.185 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.956 -0.594 -12.699 1.00 15.49 H new ATOM 0 HG SER A 6 -13.869 -1.224 -10.576 1.00 15.97 H new ATOM 28 N GLN A 7 -14.005 2.963 -10.892 1.00 13.37 N ATOM 29 CA GLN A 7 -14.467 3.824 -9.770 1.00 12.23 C ATOM 30 C GLN A 7 -14.831 2.940 -8.573 1.00 11.36 C ATOM 31 O GLN A 7 -14.680 3.320 -7.430 1.00 10.97 O ATOM 32 CB GLN A 7 -15.702 4.610 -10.213 1.00 13.19 C ATOM 33 CG GLN A 7 -15.292 5.661 -11.246 1.00 13.36 C ATOM 34 CD GLN A 7 -16.544 6.277 -11.870 1.00 13.61 C ATOM 35 OE1 GLN A 7 -17.643 5.802 -11.655 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.426 7.321 -12.645 1.00 13.77 N ATOM 0 H GLN A 7 -14.601 2.977 -11.720 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.674 4.517 -9.487 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.443 3.934 -10.640 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.168 5.092 -9.353 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.690 6.436 -10.773 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.674 5.205 -12.019 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.505 7.720 -12.826 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.255 7.737 -13.069 1.00 13.77 H new ATOM 45 N GLU A 8 -15.334 1.769 -8.839 1.00 13.01 N ATOM 46 CA GLU A 8 -15.741 0.846 -7.742 1.00 12.24 C ATOM 47 C GLU A 8 -14.524 0.378 -6.936 1.00 11.73 C ATOM 48 O GLU A 8 -14.588 0.237 -5.732 1.00 11.71 O ATOM 49 CB GLU A 8 -16.427 -0.377 -8.354 1.00 13.27 C ATOM 50 CG GLU A 8 -17.764 0.034 -8.982 1.00 13.55 C ATOM 51 CD GLU A 8 -17.514 0.760 -10.306 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.383 0.747 -10.763 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.459 1.316 -10.840 1.00 14.92 O ATOM 0 H GLU A 8 -15.483 1.406 -9.781 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.418 1.377 -7.074 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.783 -0.826 -9.110 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.593 -1.134 -7.587 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.383 -0.847 -9.151 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -18.313 0.683 -8.299 1.00 13.55 H new ATOM 60 N GLU A 9 -13.431 0.096 -7.587 1.00 11.46 N ATOM 61 CA GLU A 9 -12.236 -0.409 -6.846 1.00 11.12 C ATOM 62 C GLU A 9 -11.597 0.694 -5.995 1.00 10.28 C ATOM 63 O GLU A 9 -11.175 0.454 -4.883 1.00 10.32 O ATOM 64 CB GLU A 9 -11.204 -0.932 -7.845 1.00 12.40 C ATOM 65 CG GLU A 9 -11.724 -2.220 -8.491 1.00 13.24 C ATOM 66 CD GLU A 9 -11.741 -3.346 -7.453 1.00 14.08 C ATOM 67 OE1 GLU A 9 -11.201 -3.146 -6.378 1.00 14.26 O ATOM 68 OE2 GLU A 9 -12.301 -4.390 -7.750 1.00 14.68 O ATOM 0 H GLU A 9 -13.311 0.192 -8.595 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.563 -1.209 -6.182 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.011 -0.181 -8.611 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.257 -1.123 -7.340 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.727 -2.061 -8.886 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.090 -2.498 -9.333 1.00 13.24 H new ATOM 75 N VAL A 10 -11.508 1.893 -6.493 1.00 9.75 N ATOM 76 CA VAL A 10 -10.883 2.972 -5.676 1.00 9.10 C ATOM 77 C VAL A 10 -11.714 3.198 -4.415 1.00 7.91 C ATOM 78 O VAL A 10 -11.188 3.457 -3.357 1.00 7.70 O ATOM 79 CB VAL A 10 -10.781 4.265 -6.488 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.693 4.120 -7.587 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.138 4.553 -7.128 1.00 11.17 C ATOM 0 H VAL A 10 -11.835 2.173 -7.418 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.875 2.669 -5.392 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.501 5.090 -5.833 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.628 5.045 -8.159 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.730 3.914 -7.120 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.956 3.299 -8.254 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.078 5.473 -7.710 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.414 3.727 -7.783 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.891 4.665 -6.348 1.00 11.17 H new ATOM 91 N LYS A 11 -13.009 3.087 -4.506 1.00 7.38 N ATOM 92 CA LYS A 11 -13.837 3.283 -3.288 1.00 6.32 C ATOM 93 C LYS A 11 -13.418 2.247 -2.250 1.00 5.68 C ATOM 94 O LYS A 11 -13.372 2.524 -1.066 1.00 5.93 O ATOM 95 CB LYS A 11 -15.320 3.144 -3.623 1.00 8.26 C ATOM 96 CG LYS A 11 -15.760 4.376 -4.415 1.00 8.64 C ATOM 97 CD LYS A 11 -17.243 4.268 -4.771 1.00 9.23 C ATOM 98 CE LYS A 11 -18.111 4.421 -3.515 1.00 9.91 C ATOM 99 NZ LYS A 11 -19.491 4.810 -3.917 1.00 10.51 N ATOM 0 H LYS A 11 -13.524 2.872 -5.360 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.682 4.286 -2.889 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.493 2.239 -4.205 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.907 3.052 -2.709 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.583 5.278 -3.828 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.165 4.465 -5.324 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.505 5.037 -5.497 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.441 3.305 -5.241 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.132 3.485 -2.957 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.685 5.176 -2.854 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -20.083 4.915 -3.069 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -19.461 5.713 -4.432 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -19.894 4.074 -4.532 1.00 10.51 H new ATOM 113 N LYS A 12 -13.083 1.059 -2.681 1.00 5.08 N ATOM 114 CA LYS A 12 -12.636 0.024 -1.708 1.00 4.72 C ATOM 115 C LYS A 12 -11.348 0.515 -1.055 1.00 4.34 C ATOM 116 O LYS A 12 -11.104 0.285 0.114 1.00 4.65 O ATOM 117 CB LYS A 12 -12.364 -1.305 -2.417 1.00 6.91 C ATOM 118 CG LYS A 12 -13.682 -1.921 -2.892 1.00 7.86 C ATOM 119 CD LYS A 12 -13.395 -3.152 -3.763 1.00 8.86 C ATOM 120 CE LYS A 12 -12.764 -4.273 -2.927 1.00 9.89 C ATOM 121 NZ LYS A 12 -13.484 -4.409 -1.627 1.00 10.82 N ATOM 0 H LYS A 12 -13.100 0.764 -3.657 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.416 -0.137 -0.964 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.700 -1.145 -3.267 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.855 -1.991 -1.740 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.292 -2.205 -2.034 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.253 -1.187 -3.460 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -14.321 -3.507 -4.216 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.725 -2.879 -4.578 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.806 -5.214 -3.475 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -11.711 -4.055 -2.748 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -13.255 -5.328 -1.198 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -13.190 -3.645 -0.986 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -14.509 -4.349 -1.790 1.00 10.82 H new ATOM 135 N TRP A 13 -10.519 1.206 -1.796 1.00 4.15 N ATOM 136 CA TRP A 13 -9.258 1.714 -1.197 1.00 3.58 C ATOM 137 C TRP A 13 -9.631 2.599 -0.014 1.00 2.38 C ATOM 138 O TRP A 13 -8.907 2.710 0.937 1.00 2.83 O ATOM 139 CB TRP A 13 -8.471 2.555 -2.210 1.00 4.70 C ATOM 140 CG TRP A 13 -8.124 1.751 -3.426 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.378 0.432 -3.607 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.458 2.209 -4.638 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.905 0.055 -4.853 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.330 1.116 -5.526 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.956 3.458 -5.044 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.724 1.257 -6.774 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.346 3.604 -6.301 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.230 2.506 -7.164 1.00 6.26 C ATOM 0 H TRP A 13 -10.662 1.436 -2.779 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.637 0.872 -0.890 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.060 3.424 -2.501 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.559 2.929 -1.746 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.868 -0.218 -2.897 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.973 -0.891 -5.228 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.040 4.310 -4.386 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.637 0.407 -7.435 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.964 4.568 -6.604 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.760 2.624 -8.129 1.00 6.26 H new ATOM 159 N ALA A 14 -10.766 3.229 -0.057 1.00 0.01 N ATOM 160 CA ALA A 14 -11.172 4.091 1.088 1.00 0.01 C ATOM 161 C ALA A 14 -11.789 3.211 2.170 1.00 0.01 C ATOM 162 O ALA A 14 -12.060 3.653 3.269 1.00 0.01 O ATOM 163 CB ALA A 14 -12.200 5.121 0.620 1.00 0.00 C ATOM 0 H ALA A 14 -11.430 3.187 -0.830 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.301 4.613 1.484 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.494 5.749 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.763 5.742 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.077 4.607 0.227 1.00 0.00 H new ATOM 169 N GLU A 15 -12.026 1.962 1.860 1.00 0.01 N ATOM 170 CA GLU A 15 -12.642 1.041 2.861 1.00 0.01 C ATOM 171 C GLU A 15 -11.563 0.275 3.638 1.00 0.01 C ATOM 172 O GLU A 15 -11.799 -0.170 4.743 1.00 0.01 O ATOM 173 CB GLU A 15 -13.543 0.045 2.133 1.00 0.01 C ATOM 174 CG GLU A 15 -14.752 0.788 1.559 1.00 0.01 C ATOM 175 CD GLU A 15 -15.605 -0.174 0.731 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.233 -1.333 0.633 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.617 0.263 0.208 1.00 0.01 O ATOM 0 H GLU A 15 -11.819 1.540 0.955 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.223 1.632 3.569 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.990 -0.447 1.333 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.872 -0.735 2.819 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.347 1.213 2.368 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.418 1.619 0.938 1.00 0.01 H new ATOM 184 N SER A 16 -10.384 0.112 3.086 1.00 0.01 N ATOM 185 CA SER A 16 -9.323 -0.637 3.831 1.00 0.01 C ATOM 186 C SER A 16 -7.977 -0.561 3.102 1.00 0.00 C ATOM 187 O SER A 16 -7.907 -0.608 1.890 1.00 0.00 O ATOM 188 CB SER A 16 -9.726 -2.108 3.955 1.00 0.01 C ATOM 189 OG SER A 16 -9.796 -2.688 2.659 1.00 0.01 O ATOM 0 H SER A 16 -10.113 0.459 2.166 1.00 0.01 H new ATOM 0 HA SER A 16 -9.219 -0.183 4.816 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.001 -2.645 4.567 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.691 -2.192 4.456 1.00 0.01 H new ATOM 0 HG SER A 16 -10.678 -2.514 2.270 1.00 0.01 H new ATOM 195 N LEU A 17 -6.905 -0.479 3.851 1.00 0.00 N ATOM 196 CA LEU A 17 -5.542 -0.423 3.249 1.00 0.00 C ATOM 197 C LEU A 17 -5.297 -1.682 2.424 1.00 0.01 C ATOM 198 O LEU A 17 -4.701 -1.640 1.366 1.00 0.00 O ATOM 199 CB LEU A 17 -4.506 -0.336 4.376 1.00 0.01 C ATOM 200 CG LEU A 17 -3.078 -0.362 3.799 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.886 0.812 2.822 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.043 -0.275 4.950 1.00 0.00 C ATOM 0 H LEU A 17 -6.920 -0.448 4.870 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.458 0.450 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.657 0.580 4.947 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.641 -1.168 5.067 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.927 -1.297 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.874 0.787 2.418 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.604 0.728 2.007 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.043 1.753 3.349 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.035 -0.294 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.191 0.653 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.175 -1.123 5.622 1.00 0.00 H new ATOM 214 N GLU A 18 -5.731 -2.803 2.911 1.00 0.01 N ATOM 215 CA GLU A 18 -5.508 -4.073 2.180 1.00 0.00 C ATOM 216 C GLU A 18 -6.066 -3.972 0.758 1.00 0.00 C ATOM 217 O GLU A 18 -5.456 -4.437 -0.182 1.00 0.01 O ATOM 218 CB GLU A 18 -6.234 -5.190 2.927 1.00 0.01 C ATOM 219 CG GLU A 18 -5.536 -5.438 4.264 1.00 0.01 C ATOM 220 CD GLU A 18 -6.348 -6.439 5.085 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.402 -6.838 4.617 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.909 -6.782 6.168 1.00 0.01 O ATOM 0 H GLU A 18 -6.236 -2.895 3.793 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.439 -4.280 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.276 -4.915 3.093 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.236 -6.102 2.330 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.530 -5.821 4.095 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.433 -4.501 4.812 1.00 0.01 H new ATOM 229 N ASN A 19 -7.210 -3.373 0.585 1.00 0.01 N ATOM 230 CA ASN A 19 -7.785 -3.261 -0.789 1.00 0.00 C ATOM 231 C ASN A 19 -6.833 -2.451 -1.678 1.00 0.00 C ATOM 232 O ASN A 19 -6.521 -2.839 -2.788 1.00 0.01 O ATOM 233 CB ASN A 19 -9.146 -2.556 -0.721 1.00 0.01 C ATOM 234 CG ASN A 19 -10.170 -3.457 -0.021 1.00 0.01 C ATOM 235 OD1 ASN A 19 -11.146 -2.975 0.517 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.995 -4.752 -0.003 1.00 0.01 N ATOM 0 H ASN A 19 -7.771 -2.958 1.329 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.915 -4.258 -1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.050 -1.614 -0.182 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.490 -2.314 -1.727 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.676 -5.352 0.461 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.177 -5.162 -0.453 1.00 0.01 H new ATOM 243 N LEU A 20 -6.359 -1.337 -1.193 1.00 0.00 N ATOM 244 CA LEU A 20 -5.418 -0.515 -2.006 1.00 0.01 C ATOM 245 C LEU A 20 -4.180 -1.356 -2.322 1.00 0.01 C ATOM 246 O LEU A 20 -3.734 -1.431 -3.452 1.00 0.00 O ATOM 247 CB LEU A 20 -5.017 0.734 -1.200 1.00 0.00 C ATOM 248 CG LEU A 20 -3.983 1.589 -1.959 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.605 2.197 -3.218 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.519 2.727 -1.050 1.00 0.01 C ATOM 0 H LEU A 20 -6.581 -0.961 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.891 -0.202 -2.937 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.903 1.333 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.604 0.430 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.145 0.953 -2.245 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.859 2.797 -3.739 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.952 1.399 -3.874 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.448 2.829 -2.939 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.787 3.338 -1.577 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.374 3.343 -0.773 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.064 2.312 -0.150 1.00 0.01 H new ATOM 262 N ILE A 21 -3.620 -1.980 -1.326 1.00 0.01 N ATOM 263 CA ILE A 21 -2.406 -2.815 -1.545 1.00 0.00 C ATOM 264 C ILE A 21 -2.775 -4.129 -2.248 1.00 0.00 C ATOM 265 O ILE A 21 -1.951 -4.735 -2.902 1.00 0.00 O ATOM 266 CB ILE A 21 -1.745 -3.108 -0.191 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.340 -1.781 0.465 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.501 -3.981 -0.388 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.766 -2.045 1.859 1.00 0.01 C ATOM 0 H ILE A 21 -3.953 -1.948 -0.362 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.708 -2.272 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.451 -3.640 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.600 -1.271 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.205 -1.122 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.041 -4.182 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.788 -4.923 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.212 -3.460 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.480 -1.099 2.320 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.519 -2.536 2.475 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.110 -2.688 1.776 1.00 0.01 H new ATOM 281 N ASN A 22 -3.993 -4.594 -2.111 1.00 0.00 N ATOM 282 CA ASN A 22 -4.369 -5.888 -2.770 1.00 0.01 C ATOM 283 C ASN A 22 -4.904 -5.634 -4.182 1.00 0.01 C ATOM 284 O ASN A 22 -5.264 -6.557 -4.886 1.00 0.01 O ATOM 285 CB ASN A 22 -5.449 -6.599 -1.951 1.00 0.01 C ATOM 286 CG ASN A 22 -4.859 -7.072 -0.623 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.657 -7.101 -0.452 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.662 -7.464 0.328 1.00 0.01 N ATOM 0 H ASN A 22 -4.736 -4.142 -1.579 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.478 -6.513 -2.828 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.285 -5.923 -1.769 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.842 -7.449 -2.509 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -5.280 -7.794 1.214 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.672 -7.440 0.185 1.00 0.01 H new ATOM 295 N HIS A 23 -4.962 -4.399 -4.610 1.00 0.01 N ATOM 296 CA HIS A 23 -5.475 -4.106 -5.985 1.00 0.01 C ATOM 297 C HIS A 23 -4.295 -3.984 -6.953 1.00 0.01 C ATOM 298 O HIS A 23 -3.281 -3.392 -6.642 1.00 0.01 O ATOM 299 CB HIS A 23 -6.264 -2.795 -5.969 1.00 0.00 C ATOM 300 CG HIS A 23 -7.041 -2.666 -7.249 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.527 -2.033 -8.370 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.296 -3.094 -7.602 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.463 -2.097 -9.335 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.561 -2.734 -8.920 1.00 0.01 N ATOM 0 H HIS A 23 -4.678 -3.582 -4.070 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.129 -4.916 -6.310 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.942 -2.776 -5.115 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.585 -1.950 -5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.975 -3.629 -6.955 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.341 -1.683 -10.325 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.411 -2.917 -9.454 1.00 0.01 H new ATOM 312 N GLU A 24 -4.420 -4.552 -8.123 1.00 0.01 N ATOM 313 CA GLU A 24 -3.310 -4.488 -9.120 1.00 0.01 C ATOM 314 C GLU A 24 -3.001 -3.030 -9.466 1.00 0.01 C ATOM 315 O GLU A 24 -1.856 -2.646 -9.611 1.00 0.01 O ATOM 316 CB GLU A 24 -3.728 -5.237 -10.388 1.00 0.01 C ATOM 317 CG GLU A 24 -2.600 -5.184 -11.424 1.00 0.01 C ATOM 318 CD GLU A 24 -3.005 -5.996 -12.656 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.050 -6.622 -12.611 1.00 0.00 O ATOM 320 OE2 GLU A 24 -2.259 -5.981 -13.622 1.00 0.01 O ATOM 0 H GLU A 24 -5.248 -5.061 -8.433 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.418 -4.949 -8.696 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.963 -6.274 -10.147 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.633 -4.792 -10.801 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.398 -4.151 -11.706 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.680 -5.584 -10.997 1.00 0.01 H new ATOM 327 N CYS A 25 -4.006 -2.211 -9.602 1.00 0.01 N ATOM 328 CA CYS A 25 -3.750 -0.784 -9.946 1.00 0.01 C ATOM 329 C CYS A 25 -3.429 -0.025 -8.669 1.00 0.01 C ATOM 330 O CYS A 25 -2.677 0.928 -8.675 1.00 0.00 O ATOM 331 CB CYS A 25 -4.991 -0.184 -10.596 1.00 0.01 C ATOM 332 SG CYS A 25 -4.563 1.409 -11.343 1.00 0.00 S ATOM 0 H CYS A 25 -4.988 -2.465 -9.491 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.914 -0.714 -10.642 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.382 -0.862 -11.355 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.777 -0.051 -9.853 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.552 1.824 -12.077 1.00 0.00 H new ATOM 338 N GLY A 26 -3.965 -0.452 -7.559 1.00 0.01 N ATOM 339 CA GLY A 26 -3.643 0.247 -6.293 1.00 0.01 C ATOM 340 C GLY A 26 -2.132 0.186 -6.117 1.00 0.01 C ATOM 341 O GLY A 26 -1.488 1.178 -5.868 1.00 0.01 O ATOM 0 H GLY A 26 -4.603 -1.244 -7.478 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.985 1.281 -6.327 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.148 -0.228 -5.452 1.00 0.01 H new ATOM 345 N LEU A 27 -1.558 -0.974 -6.280 1.00 0.01 N ATOM 346 CA LEU A 27 -0.082 -1.091 -6.157 1.00 0.00 C ATOM 347 C LEU A 27 0.557 -0.187 -7.207 1.00 0.00 C ATOM 348 O LEU A 27 1.488 0.541 -6.931 1.00 0.00 O ATOM 349 CB LEU A 27 0.339 -2.544 -6.403 1.00 0.00 C ATOM 350 CG LEU A 27 -0.153 -3.437 -5.252 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.041 -4.906 -5.638 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.640 -3.143 -3.964 1.00 0.01 C ATOM 0 H LEU A 27 -2.048 -1.843 -6.493 1.00 0.01 H new ATOM 0 HA LEU A 27 0.240 -0.794 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.074 -2.896 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.424 -2.608 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.208 -3.231 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.306 -5.545 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.531 -5.124 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.098 -5.097 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.279 -3.784 -3.160 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.698 -3.338 -4.136 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.505 -2.098 -3.684 1.00 0.01 H new ATOM 364 N ALA A 28 0.053 -0.211 -8.411 1.00 0.00 N ATOM 365 CA ALA A 28 0.627 0.665 -9.469 1.00 0.00 C ATOM 366 C ALA A 28 0.494 2.118 -9.022 1.00 0.01 C ATOM 367 O ALA A 28 1.433 2.886 -9.066 1.00 0.00 O ATOM 368 CB ALA A 28 -0.139 0.457 -10.777 1.00 0.00 C ATOM 0 H ALA A 28 -0.728 -0.797 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 28 1.677 0.419 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.282 1.099 -11.551 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.056 -0.585 -11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.189 0.709 -10.628 1.00 0.00 H new ATOM 374 N ALA A 29 -0.672 2.494 -8.579 1.00 0.00 N ATOM 375 CA ALA A 29 -0.884 3.889 -8.111 1.00 0.01 C ATOM 376 C ALA A 29 -0.118 4.108 -6.807 1.00 0.00 C ATOM 377 O ALA A 29 0.463 5.152 -6.586 1.00 0.00 O ATOM 378 CB ALA A 29 -2.377 4.122 -7.869 1.00 0.01 C ATOM 0 H ALA A 29 -1.492 1.890 -8.521 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.524 4.587 -8.867 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.535 5.144 -7.526 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.925 3.962 -8.797 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.736 3.425 -7.111 1.00 0.01 H new ATOM 384 N PHE A 30 -0.121 3.136 -5.933 1.00 0.00 N ATOM 385 CA PHE A 30 0.597 3.296 -4.641 1.00 0.00 C ATOM 386 C PHE A 30 2.104 3.309 -4.899 1.00 0.00 C ATOM 387 O PHE A 30 2.831 4.083 -4.312 1.00 0.00 O ATOM 388 CB PHE A 30 0.228 2.139 -3.698 1.00 0.00 C ATOM 389 CG PHE A 30 0.540 2.513 -2.268 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.103 3.610 -1.682 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.458 1.763 -1.523 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.174 3.960 -0.363 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.733 2.115 -0.196 1.00 0.00 C ATOM 394 CZ PHE A 30 1.090 3.216 0.383 1.00 0.00 C ATOM 0 H PHE A 30 -0.590 2.240 -6.061 1.00 0.00 H new ATOM 0 HA PHE A 30 0.307 4.236 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.832 1.903 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.782 1.242 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.815 4.186 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.953 0.914 -1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.321 4.809 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.441 1.538 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.303 3.489 1.406 1.00 0.00 H new ATOM 404 N LYS A 31 2.582 2.482 -5.786 1.00 0.00 N ATOM 405 CA LYS A 31 4.042 2.489 -6.073 1.00 0.00 C ATOM 406 C LYS A 31 4.432 3.886 -6.555 1.00 0.00 C ATOM 407 O LYS A 31 5.436 4.438 -6.149 1.00 0.00 O ATOM 408 CB LYS A 31 4.355 1.463 -7.169 1.00 0.00 C ATOM 409 CG LYS A 31 4.308 0.032 -6.608 1.00 0.00 C ATOM 410 CD LYS A 31 5.616 -0.307 -5.879 1.00 0.00 C ATOM 411 CE LYS A 31 5.675 -1.814 -5.617 1.00 0.01 C ATOM 412 NZ LYS A 31 5.864 -2.535 -6.908 1.00 0.00 N ATOM 0 H LYS A 31 2.032 1.809 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 31 4.602 2.231 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.637 1.563 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.341 1.662 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.467 -0.068 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.143 -0.677 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.471 0.003 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.673 0.240 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.495 -2.044 -4.936 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.756 -2.146 -5.134 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 6.331 -3.447 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.938 -2.700 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.455 -1.961 -7.543 1.00 0.00 H new ATOM 426 N ALA A 32 3.632 4.474 -7.404 1.00 0.00 N ATOM 427 CA ALA A 32 3.947 5.843 -7.892 1.00 0.00 C ATOM 428 C ALA A 32 3.750 6.834 -6.745 1.00 0.01 C ATOM 429 O ALA A 32 4.553 7.716 -6.521 1.00 0.00 O ATOM 430 CB ALA A 32 3.008 6.203 -9.047 1.00 0.00 C ATOM 0 H ALA A 32 2.776 4.064 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 32 4.978 5.883 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.239 7.206 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.140 5.489 -9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.975 6.170 -8.700 1.00 0.00 H new ATOM 436 N PHE A 33 2.676 6.693 -6.018 1.00 0.00 N ATOM 437 CA PHE A 33 2.407 7.619 -4.884 1.00 0.00 C ATOM 438 C PHE A 33 3.540 7.540 -3.857 1.00 0.00 C ATOM 439 O PHE A 33 3.991 8.542 -3.342 1.00 0.00 O ATOM 440 CB PHE A 33 1.085 7.246 -4.222 1.00 0.00 C ATOM 441 CG PHE A 33 0.697 8.337 -3.255 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.302 9.585 -3.745 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.738 8.105 -1.874 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.053 10.604 -2.857 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.380 9.124 -0.988 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.014 10.372 -1.479 1.00 0.00 C ATOM 0 H PHE A 33 1.970 5.972 -6.162 1.00 0.00 H new ATOM 0 HA PHE A 33 2.347 8.639 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.309 7.118 -4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.181 6.295 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.271 9.762 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.045 7.141 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.357 11.569 -3.235 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.408 8.947 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.289 11.159 -0.792 1.00 0.00 H new ATOM 456 N LEU A 34 4.009 6.361 -3.554 1.00 0.00 N ATOM 457 CA LEU A 34 5.115 6.240 -2.558 1.00 0.00 C ATOM 458 C LEU A 34 6.316 7.016 -3.078 1.00 0.00 C ATOM 459 O LEU A 34 7.008 7.687 -2.337 1.00 0.00 O ATOM 460 CB LEU A 34 5.525 4.777 -2.389 1.00 0.00 C ATOM 461 CG LEU A 34 4.433 3.972 -1.668 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.730 2.485 -1.847 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.424 4.290 -0.166 1.00 0.00 C ATOM 0 H LEU A 34 3.678 5.481 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 34 4.776 6.631 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.719 4.336 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.455 4.721 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 34 3.463 4.234 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.964 1.897 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.733 2.240 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.706 2.255 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.643 3.709 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.392 4.035 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.231 5.353 -0.020 1.00 0.00 H new ATOM 475 N LYS A 35 6.567 6.933 -4.352 1.00 0.00 N ATOM 476 CA LYS A 35 7.718 7.669 -4.934 1.00 0.00 C ATOM 477 C LYS A 35 7.516 9.160 -4.673 1.00 0.01 C ATOM 478 O LYS A 35 8.440 9.876 -4.345 1.00 0.00 O ATOM 479 CB LYS A 35 7.771 7.404 -6.438 1.00 0.00 C ATOM 480 CG LYS A 35 9.034 8.027 -7.033 1.00 0.00 C ATOM 481 CD LYS A 35 8.977 7.928 -8.561 1.00 0.00 C ATOM 482 CE LYS A 35 8.844 6.460 -8.986 1.00 0.00 C ATOM 483 NZ LYS A 35 7.410 6.059 -8.941 1.00 0.01 N ATOM 0 H LYS A 35 6.022 6.385 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 35 8.654 7.340 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.761 6.331 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.887 7.821 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.117 9.070 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.919 7.513 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.132 8.503 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.878 8.361 -8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.239 6.324 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.432 5.824 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.263 5.381 -8.166 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 6.819 6.900 -8.782 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 7.145 5.616 -9.844 1.00 0.01 H new ATOM 497 N SER A 36 6.307 9.630 -4.801 1.00 0.00 N ATOM 498 CA SER A 36 6.041 11.068 -4.539 1.00 0.00 C ATOM 499 C SER A 36 6.392 11.369 -3.083 1.00 0.00 C ATOM 500 O SER A 36 6.859 12.439 -2.750 1.00 0.00 O ATOM 501 CB SER A 36 4.564 11.377 -4.786 1.00 0.00 C ATOM 502 OG SER A 36 4.273 11.193 -6.165 1.00 0.00 O ATOM 0 H SER A 36 5.493 9.080 -5.076 1.00 0.00 H new ATOM 0 HA SER A 36 6.645 11.684 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.937 10.724 -4.179 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.339 12.401 -4.488 1.00 0.00 H new ATOM 0 HG SER A 36 3.327 11.388 -6.329 1.00 0.00 H new ATOM 508 N GLU A 37 6.163 10.420 -2.213 1.00 0.00 N ATOM 509 CA GLU A 37 6.470 10.620 -0.764 1.00 0.00 C ATOM 510 C GLU A 37 7.788 9.917 -0.433 1.00 0.00 C ATOM 511 O GLU A 37 8.194 9.839 0.710 1.00 0.00 O ATOM 512 CB GLU A 37 5.345 10.009 0.070 1.00 0.00 C ATOM 513 CG GLU A 37 4.043 10.766 -0.200 1.00 0.00 C ATOM 514 CD GLU A 37 2.915 10.157 0.635 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.131 9.103 1.209 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.852 10.753 0.681 1.00 0.00 O ATOM 0 H GLU A 37 5.773 9.507 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 37 6.556 11.684 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.224 8.955 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.595 10.059 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.165 11.820 0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.793 10.715 -1.260 1.00 0.00 H new ATOM 523 N TYR A 38 8.459 9.411 -1.430 1.00 0.00 N ATOM 524 CA TYR A 38 9.756 8.717 -1.194 1.00 0.00 C ATOM 525 C TYR A 38 9.589 7.677 -0.091 1.00 0.00 C ATOM 526 O TYR A 38 10.474 7.467 0.714 1.00 0.00 O ATOM 527 CB TYR A 38 10.804 9.739 -0.768 1.00 0.00 C ATOM 528 CG TYR A 38 10.828 10.870 -1.764 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.495 10.715 -2.985 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.179 12.074 -1.468 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.512 11.766 -3.909 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.197 13.123 -2.391 1.00 0.00 C ATOM 533 CZ TYR A 38 10.862 12.970 -3.613 1.00 0.01 C ATOM 534 OH TYR A 38 10.880 14.006 -4.521 1.00 0.00 O ATOM 0 H TYR A 38 8.162 9.449 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 38 10.074 8.223 -2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.574 10.120 0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.786 9.269 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.996 9.786 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.664 12.192 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.027 11.648 -4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.697 14.053 -2.161 1.00 0.00 H new ATOM 0 HH TYR A 38 10.381 14.767 -4.159 1.00 0.00 H new ATOM 544 N SER A 39 8.460 7.021 -0.051 1.00 0.00 N ATOM 545 CA SER A 39 8.217 5.982 0.994 1.00 0.00 C ATOM 546 C SER A 39 8.341 4.596 0.360 1.00 0.00 C ATOM 547 O SER A 39 7.726 3.644 0.799 1.00 0.00 O ATOM 548 CB SER A 39 6.816 6.174 1.578 1.00 0.00 C ATOM 549 OG SER A 39 5.918 6.529 0.535 1.00 0.00 O ATOM 0 H SER A 39 7.688 7.161 -0.703 1.00 0.00 H new ATOM 0 HA SER A 39 8.951 6.075 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.483 5.257 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.831 6.952 2.341 1.00 0.00 H new ATOM 0 HG SER A 39 5.185 7.066 0.903 1.00 0.00 H new ATOM 555 N GLU A 40 9.138 4.475 -0.668 1.00 0.00 N ATOM 556 CA GLU A 40 9.303 3.150 -1.326 1.00 0.00 C ATOM 557 C GLU A 40 9.939 2.183 -0.333 1.00 0.00 C ATOM 558 O GLU A 40 9.866 0.981 -0.474 1.00 0.00 O ATOM 559 CB GLU A 40 10.189 3.284 -2.575 1.00 0.00 C ATOM 560 CG GLU A 40 11.583 3.820 -2.206 1.00 0.00 C ATOM 561 CD GLU A 40 11.483 5.300 -1.836 1.00 0.00 C ATOM 562 OE1 GLU A 40 10.496 5.918 -2.203 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.395 5.792 -1.193 1.00 0.00 O ATOM 0 H GLU A 40 9.680 5.235 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 40 8.329 2.771 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.286 2.314 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.715 3.955 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.992 3.253 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.267 3.690 -3.044 1.00 0.00 H new ATOM 570 N GLU A 41 10.555 2.702 0.683 1.00 0.00 N ATOM 571 CA GLU A 41 11.174 1.815 1.692 1.00 0.00 C ATOM 572 C GLU A 41 10.070 0.970 2.332 1.00 0.00 C ATOM 573 O GLU A 41 10.240 -0.203 2.592 1.00 0.00 O ATOM 574 CB GLU A 41 11.858 2.672 2.758 1.00 0.00 C ATOM 575 CG GLU A 41 10.823 3.592 3.411 1.00 0.00 C ATOM 576 CD GLU A 41 11.538 4.682 4.213 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.599 5.105 3.784 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.012 5.076 5.240 1.00 0.00 O ATOM 0 H GLU A 41 10.656 3.702 0.858 1.00 0.00 H new ATOM 0 HA GLU A 41 11.915 1.164 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.321 2.034 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.655 3.264 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.190 4.044 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.170 3.015 4.065 1.00 0.00 H new ATOM 585 N ASN A 42 8.936 1.570 2.586 1.00 0.00 N ATOM 586 CA ASN A 42 7.811 0.819 3.210 1.00 0.00 C ATOM 587 C ASN A 42 7.369 -0.354 2.324 1.00 0.00 C ATOM 588 O ASN A 42 7.234 -1.466 2.793 1.00 0.00 O ATOM 589 CB ASN A 42 6.630 1.767 3.431 1.00 0.00 C ATOM 590 CG ASN A 42 6.975 2.756 4.545 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.782 2.461 5.404 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.396 3.924 4.569 1.00 0.00 N ATOM 0 H ASN A 42 8.742 2.551 2.387 1.00 0.00 H new ATOM 0 HA ASN A 42 8.152 0.416 4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.403 2.304 2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.738 1.199 3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.621 4.589 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.718 4.172 3.848 1.00 0.00 H new ATOM 599 N ILE A 43 7.128 -0.128 1.053 1.00 0.00 N ATOM 600 CA ILE A 43 6.682 -1.265 0.191 1.00 0.00 C ATOM 601 C ILE A 43 7.845 -2.236 -0.015 1.00 0.00 C ATOM 602 O ILE A 43 7.674 -3.437 0.053 1.00 0.00 O ATOM 603 CB ILE A 43 6.158 -0.740 -1.160 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.409 -1.862 -1.910 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.317 -0.239 -2.028 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.986 -2.032 -1.355 1.00 0.00 C ATOM 0 H ILE A 43 7.219 0.774 0.585 1.00 0.00 H new ATOM 0 HA ILE A 43 5.866 -1.794 0.684 1.00 0.00 H new ATOM 0 HB ILE A 43 5.476 0.087 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.364 -1.628 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.957 -2.799 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.928 0.128 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.835 0.569 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.013 -1.057 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.476 -2.828 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.036 -2.289 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.435 -1.100 -1.476 1.00 0.00 H new ATOM 618 N ASP A 44 9.034 -1.739 -0.241 1.00 0.00 N ATOM 619 CA ASP A 44 10.185 -2.667 -0.417 1.00 0.00 C ATOM 620 C ASP A 44 10.368 -3.427 0.892 1.00 0.00 C ATOM 621 O ASP A 44 10.584 -4.623 0.915 1.00 0.00 O ATOM 622 CB ASP A 44 11.454 -1.869 -0.727 1.00 0.00 C ATOM 623 CG ASP A 44 11.349 -1.267 -2.130 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.455 -1.668 -2.857 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.164 -0.419 -2.452 1.00 0.00 O ATOM 0 H ASP A 44 9.254 -0.745 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 44 9.998 -3.355 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.588 -1.078 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.328 -2.517 -0.662 1.00 0.00 H new ATOM 630 N PHE A 45 10.251 -2.730 1.985 1.00 0.00 N ATOM 631 CA PHE A 45 10.379 -3.380 3.314 1.00 0.00 C ATOM 632 C PHE A 45 9.221 -4.358 3.486 1.00 0.00 C ATOM 633 O PHE A 45 9.380 -5.454 3.985 1.00 0.00 O ATOM 634 CB PHE A 45 10.317 -2.291 4.386 1.00 0.00 C ATOM 635 CG PHE A 45 10.270 -2.900 5.769 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.412 -3.500 6.309 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.088 -2.842 6.517 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.370 -4.043 7.599 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.048 -3.380 7.807 1.00 0.00 C ATOM 640 CZ PHE A 45 10.189 -3.980 8.347 1.00 0.00 C ATOM 0 H PHE A 45 10.070 -1.727 2.013 1.00 0.00 H new ATOM 0 HA PHE A 45 11.321 -3.921 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.187 -1.640 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.436 -1.669 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.324 -3.544 5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.206 -2.381 6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.249 -4.511 8.017 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.137 -3.332 8.385 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.159 -4.396 9.343 1.00 0.00 H new ATOM 650 N TRP A 46 8.050 -3.964 3.061 1.00 0.00 N ATOM 651 CA TRP A 46 6.867 -4.856 3.179 1.00 0.00 C ATOM 652 C TRP A 46 7.125 -6.145 2.394 1.00 0.00 C ATOM 653 O TRP A 46 6.849 -7.230 2.860 1.00 0.00 O ATOM 654 CB TRP A 46 5.642 -4.137 2.612 1.00 0.00 C ATOM 655 CG TRP A 46 4.423 -4.973 2.824 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.958 -5.372 4.028 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.507 -5.514 1.830 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.812 -6.126 3.838 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.494 -6.240 2.500 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.455 -5.444 0.427 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.468 -6.876 1.800 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.423 -6.083 -0.280 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.432 -6.797 0.407 1.00 0.00 C ATOM 0 H TRP A 46 7.864 -3.056 2.635 1.00 0.00 H new ATOM 0 HA TRP A 46 6.689 -5.104 4.225 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.520 -3.169 3.098 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.782 -3.944 1.548 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.407 -5.141 4.983 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.270 -6.545 4.594 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.214 -4.895 -0.111 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.706 -7.426 2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.393 -6.024 -1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.640 -7.286 -0.141 1.00 0.00 H new ATOM 674 N ILE A 47 7.657 -6.036 1.205 1.00 0.00 N ATOM 675 CA ILE A 47 7.928 -7.262 0.399 1.00 0.00 C ATOM 676 C ILE A 47 8.937 -8.133 1.145 1.00 0.00 C ATOM 677 O ILE A 47 8.794 -9.337 1.226 1.00 0.00 O ATOM 678 CB ILE A 47 8.510 -6.867 -0.960 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.448 -6.121 -1.768 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.939 -8.127 -1.718 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.092 -5.501 -3.010 1.00 0.00 C ATOM 0 H ILE A 47 7.914 -5.155 0.759 1.00 0.00 H new ATOM 0 HA ILE A 47 7.000 -7.813 0.247 1.00 0.00 H new ATOM 0 HB ILE A 47 9.376 -6.221 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.652 -6.805 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.990 -5.344 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.354 -7.846 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.695 -8.659 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.074 -8.774 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.334 -4.969 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.872 -4.803 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.529 -6.288 -3.625 1.00 0.00 H new ATOM 693 N SER A 48 9.949 -7.536 1.706 1.00 0.00 N ATOM 694 CA SER A 48 10.951 -8.336 2.456 1.00 0.00 C ATOM 695 C SER A 48 10.268 -8.915 3.692 1.00 0.00 C ATOM 696 O SER A 48 10.483 -10.051 4.063 1.00 0.00 O ATOM 697 CB SER A 48 12.113 -7.438 2.882 1.00 0.00 C ATOM 698 OG SER A 48 11.666 -6.540 3.889 1.00 0.00 O ATOM 0 H SER A 48 10.125 -6.532 1.677 1.00 0.00 H new ATOM 0 HA SER A 48 11.340 -9.138 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.937 -8.044 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.492 -6.882 2.024 1.00 0.00 H new ATOM 0 HG SER A 48 10.814 -6.140 3.616 1.00 0.00 H new ATOM 704 N CYS A 49 9.430 -8.139 4.324 1.00 0.00 N ATOM 705 CA CYS A 49 8.714 -8.636 5.529 1.00 0.00 C ATOM 706 C CYS A 49 7.753 -9.748 5.115 1.00 0.00 C ATOM 707 O CYS A 49 7.594 -10.731 5.807 1.00 0.01 O ATOM 708 CB CYS A 49 7.927 -7.490 6.167 1.00 0.00 C ATOM 709 SG CYS A 49 9.080 -6.286 6.870 1.00 0.01 S ATOM 0 H CYS A 49 9.211 -7.180 4.055 1.00 0.00 H new ATOM 0 HA CYS A 49 9.434 -9.022 6.251 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.293 -7.010 5.421 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.268 -7.876 6.945 1.00 0.00 H new ATOM 0 HG CYS A 49 8.448 -5.179 7.127 1.00 0.01 H new ATOM 715 N GLU A 50 7.111 -9.606 3.989 1.00 0.00 N ATOM 716 CA GLU A 50 6.165 -10.667 3.550 1.00 0.00 C ATOM 717 C GLU A 50 6.929 -11.980 3.397 1.00 0.01 C ATOM 718 O GLU A 50 6.504 -13.007 3.873 1.00 0.00 O ATOM 719 CB GLU A 50 5.529 -10.280 2.207 1.00 0.01 C ATOM 720 CG GLU A 50 4.416 -9.255 2.438 1.00 0.00 C ATOM 721 CD GLU A 50 3.815 -8.843 1.093 1.00 0.01 C ATOM 722 OE1 GLU A 50 4.333 -7.913 0.497 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.852 -9.467 0.679 1.00 0.01 O ATOM 0 H GLU A 50 7.200 -8.808 3.359 1.00 0.00 H new ATOM 0 HA GLU A 50 5.376 -10.782 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.286 -9.865 1.542 1.00 0.01 H new ATOM 0 HB3 GLU A 50 5.125 -11.166 1.717 1.00 0.01 H new ATOM 0 HG2 GLU A 50 3.643 -9.680 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.813 -8.381 2.954 1.00 0.00 H new ATOM 730 N GLU A 51 8.069 -11.959 2.765 1.00 0.01 N ATOM 731 CA GLU A 51 8.839 -13.224 2.623 1.00 0.00 C ATOM 732 C GLU A 51 9.160 -13.738 4.022 1.00 0.01 C ATOM 733 O GLU A 51 9.079 -14.917 4.302 1.00 0.00 O ATOM 734 CB GLU A 51 10.135 -12.955 1.856 1.00 0.00 C ATOM 735 CG GLU A 51 9.803 -12.648 0.395 1.00 0.00 C ATOM 736 CD GLU A 51 11.090 -12.347 -0.373 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.541 -11.214 -0.317 1.00 0.01 O ATOM 738 OE2 GLU A 51 11.604 -13.254 -1.009 1.00 0.00 O ATOM 0 H GLU A 51 8.496 -11.133 2.346 1.00 0.01 H new ATOM 0 HA GLU A 51 8.258 -13.965 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.669 -12.117 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.794 -13.821 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.288 -13.496 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.126 -11.796 0.337 1.00 0.00 H new ATOM 745 N TYR A 52 9.497 -12.847 4.910 1.00 0.00 N ATOM 746 CA TYR A 52 9.800 -13.256 6.307 1.00 0.01 C ATOM 747 C TYR A 52 8.529 -13.831 6.944 1.00 0.01 C ATOM 748 O TYR A 52 8.563 -14.818 7.650 1.00 0.01 O ATOM 749 CB TYR A 52 10.247 -12.021 7.098 1.00 0.00 C ATOM 750 CG TYR A 52 10.653 -12.423 8.497 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.675 -12.681 9.468 1.00 0.00 C ATOM 752 CD2 TYR A 52 12.009 -12.540 8.824 1.00 0.01 C ATOM 753 CE1 TYR A 52 10.054 -13.052 10.764 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.388 -12.909 10.118 1.00 0.00 C ATOM 755 CZ TYR A 52 11.411 -13.167 11.089 1.00 0.01 C ATOM 756 OH TYR A 52 11.786 -13.531 12.365 1.00 0.01 O ATOM 0 H TYR A 52 9.576 -11.847 4.726 1.00 0.00 H new ATOM 0 HA TYR A 52 10.589 -14.008 6.316 1.00 0.01 H new ATOM 0 HB2 TYR A 52 11.083 -11.538 6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.437 -11.293 7.140 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.628 -12.594 9.216 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.763 -12.345 8.076 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.300 -13.249 11.512 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.435 -12.995 10.370 1.00 0.00 H new ATOM 0 HH TYR A 52 10.986 -13.701 12.905 1.00 0.01 H new ATOM 766 N LYS A 53 7.411 -13.191 6.711 1.00 0.01 N ATOM 767 CA LYS A 53 6.121 -13.651 7.310 1.00 0.01 C ATOM 768 C LYS A 53 5.614 -14.945 6.658 1.00 0.01 C ATOM 769 O LYS A 53 4.806 -15.647 7.231 1.00 0.01 O ATOM 770 CB LYS A 53 5.073 -12.555 7.135 1.00 0.01 C ATOM 771 CG LYS A 53 5.421 -11.375 8.041 1.00 0.00 C ATOM 772 CD LYS A 53 4.376 -10.271 7.871 1.00 0.00 C ATOM 773 CE LYS A 53 4.764 -9.042 8.719 1.00 0.01 C ATOM 774 NZ LYS A 53 5.707 -9.443 9.805 1.00 0.00 N ATOM 0 H LYS A 53 7.336 -12.360 6.124 1.00 0.01 H new ATOM 0 HA LYS A 53 6.294 -13.856 8.366 1.00 0.01 H new ATOM 0 HB2 LYS A 53 5.038 -12.232 6.095 1.00 0.01 H new ATOM 0 HB3 LYS A 53 4.083 -12.939 7.383 1.00 0.01 H new ATOM 0 HG2 LYS A 53 5.455 -11.700 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.411 -10.993 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.300 -9.989 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.395 -10.637 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.227 -8.286 8.086 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.870 -8.592 9.151 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 5.962 -8.608 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.251 -10.149 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.566 -9.852 9.385 1.00 0.00 H new ATOM 788 N LYS A 54 6.057 -15.273 5.472 1.00 0.00 N ATOM 789 CA LYS A 54 5.556 -16.530 4.825 1.00 0.01 C ATOM 790 C LYS A 54 6.379 -17.707 5.336 1.00 0.01 C ATOM 791 O LYS A 54 5.938 -18.840 5.323 1.00 0.01 O ATOM 792 CB LYS A 54 5.703 -16.430 3.303 1.00 0.01 C ATOM 793 CG LYS A 54 4.706 -15.409 2.747 1.00 0.01 C ATOM 794 CD LYS A 54 4.861 -15.319 1.228 1.00 0.00 C ATOM 795 CE LYS A 54 3.870 -14.294 0.668 1.00 0.01 C ATOM 796 NZ LYS A 54 2.498 -14.603 1.162 1.00 0.01 N ATOM 0 H LYS A 54 6.733 -14.737 4.928 1.00 0.00 H new ATOM 0 HA LYS A 54 4.504 -16.672 5.071 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.720 -16.134 3.046 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.530 -17.405 2.848 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.688 -15.703 3.002 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.879 -14.432 3.199 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.881 -15.030 0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.684 -16.295 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.160 -13.289 0.974 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.888 -14.313 -0.422 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 1.800 -14.327 0.443 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 2.418 -15.623 1.349 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 2.318 -14.075 2.040 1.00 0.01 H new ATOM 810 N ILE A 55 7.562 -17.444 5.809 1.00 0.01 N ATOM 811 CA ILE A 55 8.405 -18.540 6.351 1.00 0.01 C ATOM 812 C ILE A 55 7.859 -18.948 7.720 1.00 0.00 C ATOM 813 O ILE A 55 7.826 -18.156 8.642 1.00 0.01 O ATOM 814 CB ILE A 55 9.840 -18.041 6.488 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.416 -17.765 5.095 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.689 -19.102 7.192 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.706 -16.948 5.215 1.00 0.01 C ATOM 0 H ILE A 55 7.982 -16.515 5.844 1.00 0.01 H new ATOM 0 HA ILE A 55 8.388 -19.401 5.682 1.00 0.01 H new ATOM 0 HB ILE A 55 9.851 -17.123 7.076 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.618 -18.706 4.583 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.687 -17.223 4.492 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.714 -18.743 7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.278 -19.298 8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.680 -20.022 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.109 -16.756 4.221 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.492 -16.000 5.709 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.437 -17.505 5.801 1.00 0.01 H new ATOM 829 N LYS A 56 7.425 -20.172 7.866 1.00 0.01 N ATOM 830 CA LYS A 56 6.873 -20.623 9.181 1.00 0.01 C ATOM 831 C LYS A 56 7.967 -21.329 9.984 1.00 0.01 C ATOM 832 O LYS A 56 7.743 -21.781 11.087 1.00 0.01 O ATOM 833 CB LYS A 56 5.714 -21.590 8.945 1.00 0.01 C ATOM 834 CG LYS A 56 4.604 -20.872 8.169 1.00 0.01 C ATOM 835 CD LYS A 56 3.420 -21.827 7.934 1.00 0.00 C ATOM 836 CE LYS A 56 2.489 -21.825 9.155 1.00 0.00 C ATOM 837 NZ LYS A 56 2.014 -20.436 9.417 1.00 0.00 N ATOM 0 H LYS A 56 7.428 -20.881 7.132 1.00 0.01 H new ATOM 0 HA LYS A 56 6.517 -19.756 9.737 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.059 -22.460 8.387 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.330 -21.955 9.898 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.270 -19.996 8.724 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.989 -20.516 7.214 1.00 0.01 H new ATOM 0 HD2 LYS A 56 2.868 -21.522 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.788 -22.836 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.639 -22.484 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.016 -22.211 10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.042 -20.465 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.636 -19.983 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.033 -19.890 8.532 1.00 0.00 H new ATOM 851 N SER A 57 9.148 -21.428 9.435 1.00 0.00 N ATOM 852 CA SER A 57 10.267 -22.106 10.160 1.00 0.01 C ATOM 853 C SER A 57 11.113 -21.046 10.901 1.00 0.01 C ATOM 854 O SER A 57 11.776 -20.256 10.261 1.00 0.00 O ATOM 855 CB SER A 57 11.156 -22.808 9.134 1.00 0.01 C ATOM 856 OG SER A 57 10.434 -23.882 8.546 1.00 0.01 O ATOM 0 H SER A 57 9.389 -21.068 8.512 1.00 0.00 H new ATOM 0 HA SER A 57 9.865 -22.824 10.875 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.472 -22.102 8.365 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.060 -23.182 9.614 1.00 0.01 H new ATOM 0 HG SER A 57 11.000 -24.334 7.886 1.00 0.01 H new ATOM 862 N PRO A 58 11.112 -21.003 12.227 1.00 0.00 N ATOM 863 CA PRO A 58 11.928 -19.978 12.943 1.00 0.01 C ATOM 864 C PRO A 58 13.435 -20.265 12.841 1.00 0.00 C ATOM 865 O PRO A 58 14.250 -19.538 13.371 1.00 0.00 O ATOM 866 CB PRO A 58 11.426 -20.102 14.395 1.00 0.01 C ATOM 867 CG PRO A 58 10.607 -21.402 14.513 1.00 0.01 C ATOM 868 CD PRO A 58 10.327 -21.932 13.094 1.00 0.01 C ATOM 0 HA PRO A 58 11.815 -18.977 12.527 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.267 -20.119 15.088 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.812 -19.241 14.660 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.155 -22.144 15.093 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.671 -21.214 15.039 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.654 -22.965 12.978 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.264 -21.905 12.856 1.00 0.01 H new ATOM 876 N SER A 59 13.803 -21.321 12.168 1.00 0.01 N ATOM 877 CA SER A 59 15.253 -21.658 12.033 1.00 0.01 C ATOM 878 C SER A 59 15.849 -20.922 10.831 1.00 0.01 C ATOM 879 O SER A 59 17.027 -20.623 10.798 1.00 0.01 O ATOM 880 CB SER A 59 15.404 -23.168 11.826 1.00 0.01 C ATOM 881 OG SER A 59 16.773 -23.525 11.963 1.00 0.01 O ATOM 0 H SER A 59 13.163 -21.967 11.705 1.00 0.01 H new ATOM 0 HA SER A 59 15.778 -21.353 12.938 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.800 -23.709 12.555 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.040 -23.450 10.838 1.00 0.01 H new ATOM 0 HG SER A 59 16.874 -24.491 11.833 1.00 0.01 H new ATOM 887 N LYS A 60 15.049 -20.637 9.837 1.00 0.00 N ATOM 888 CA LYS A 60 15.574 -19.931 8.629 1.00 0.00 C ATOM 889 C LYS A 60 15.417 -18.417 8.794 1.00 0.01 C ATOM 890 O LYS A 60 16.032 -17.641 8.086 1.00 0.01 O ATOM 891 CB LYS A 60 14.776 -20.387 7.401 1.00 0.01 C ATOM 892 CG LYS A 60 14.981 -21.896 7.165 1.00 0.01 C ATOM 893 CD LYS A 60 16.261 -22.146 6.340 1.00 0.01 C ATOM 894 CE LYS A 60 15.940 -22.076 4.844 1.00 0.01 C ATOM 895 NZ LYS A 60 17.209 -21.998 4.065 1.00 0.01 N ATOM 0 H LYS A 60 14.055 -20.862 9.809 1.00 0.00 H new ATOM 0 HA LYS A 60 16.630 -20.169 8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.717 -20.175 7.547 1.00 0.01 H new ATOM 0 HB3 LYS A 60 15.095 -19.827 6.522 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.051 -22.413 8.122 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.118 -22.309 6.642 1.00 0.01 H new ATOM 0 HD2 LYS A 60 17.018 -21.404 6.593 1.00 0.01 H new ATOM 0 HD3 LYS A 60 16.677 -23.123 6.586 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.369 -22.954 4.542 1.00 0.01 H new ATOM 0 HE3 LYS A 60 15.319 -21.205 4.635 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 16.990 -21.950 3.049 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 17.737 -21.147 4.346 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 17.786 -22.842 4.256 1.00 0.01 H new ATOM 909 N LEU A 61 14.601 -17.984 9.714 1.00 0.01 N ATOM 910 CA LEU A 61 14.417 -16.517 9.908 1.00 0.01 C ATOM 911 C LEU A 61 15.746 -15.887 10.342 1.00 0.01 C ATOM 912 O LEU A 61 16.100 -14.804 9.921 1.00 0.01 O ATOM 913 CB LEU A 61 13.365 -16.265 10.995 1.00 0.01 C ATOM 914 CG LEU A 61 12.016 -16.883 10.595 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.977 -16.594 11.691 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.530 -16.300 9.254 1.00 0.01 C ATOM 0 H LEU A 61 14.055 -18.579 10.338 1.00 0.01 H new ATOM 0 HA LEU A 61 14.086 -16.072 8.970 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.701 -16.692 11.940 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.247 -15.193 11.154 1.00 0.01 H new ATOM 0 HG LEU A 61 12.142 -17.960 10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.019 -17.032 11.409 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.311 -17.029 12.633 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.863 -15.516 11.809 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.574 -16.749 8.987 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.410 -15.221 9.349 1.00 0.01 H new ATOM 0 HD23 LEU A 61 12.262 -16.517 8.476 1.00 0.01 H new ATOM 928 N SER A 62 16.475 -16.558 11.192 1.00 0.00 N ATOM 929 CA SER A 62 17.776 -16.012 11.678 1.00 0.01 C ATOM 930 C SER A 62 18.671 -15.561 10.502 1.00 0.01 C ATOM 931 O SER A 62 18.979 -14.392 10.385 1.00 0.01 O ATOM 932 CB SER A 62 18.480 -17.079 12.532 1.00 0.01 C ATOM 933 OG SER A 62 18.219 -16.817 13.904 1.00 0.01 O ATOM 0 H SER A 62 16.223 -17.469 11.574 1.00 0.00 H new ATOM 0 HA SER A 62 17.586 -15.129 12.289 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.122 -18.073 12.263 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.553 -17.065 12.343 1.00 0.01 H new ATOM 0 HG SER A 62 18.663 -17.494 14.456 1.00 0.01 H new ATOM 939 N PRO A 63 19.104 -16.457 9.641 1.00 0.00 N ATOM 940 CA PRO A 63 19.977 -16.058 8.502 1.00 0.00 C ATOM 941 C PRO A 63 19.504 -14.772 7.807 1.00 0.01 C ATOM 942 O PRO A 63 20.210 -13.784 7.771 1.00 0.00 O ATOM 943 CB PRO A 63 19.886 -17.283 7.568 1.00 0.01 C ATOM 944 CG PRO A 63 19.096 -18.392 8.296 1.00 0.01 C ATOM 945 CD PRO A 63 18.772 -17.905 9.720 1.00 0.01 C ATOM 0 HA PRO A 63 20.993 -15.818 8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 63 19.390 -17.013 6.636 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.884 -17.636 7.307 1.00 0.01 H new ATOM 0 HG2 PRO A 63 18.177 -18.620 7.755 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.680 -19.311 8.334 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.726 -18.069 9.978 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.370 -18.419 10.472 1.00 0.01 H new ATOM 953 N LYS A 64 18.328 -14.778 7.243 1.00 0.01 N ATOM 954 CA LYS A 64 17.845 -13.554 6.544 1.00 0.01 C ATOM 955 C LYS A 64 17.483 -12.461 7.551 1.00 0.00 C ATOM 956 O LYS A 64 17.476 -11.292 7.218 1.00 0.00 O ATOM 957 CB LYS A 64 16.631 -13.885 5.672 1.00 0.00 C ATOM 958 CG LYS A 64 15.562 -14.602 6.504 1.00 0.01 C ATOM 959 CD LYS A 64 14.461 -15.142 5.577 1.00 0.01 C ATOM 960 CE LYS A 64 14.901 -16.470 4.921 1.00 0.01 C ATOM 961 NZ LYS A 64 14.486 -16.468 3.490 1.00 0.00 N ATOM 0 H LYS A 64 17.685 -15.570 7.235 1.00 0.01 H new ATOM 0 HA LYS A 64 18.650 -13.185 5.908 1.00 0.01 H new ATOM 0 HB2 LYS A 64 16.219 -12.970 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.935 -14.515 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.012 -15.421 7.065 1.00 0.01 H new ATOM 0 HG3 LYS A 64 15.133 -13.914 7.233 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.544 -15.298 6.146 1.00 0.01 H new ATOM 0 HD3 LYS A 64 14.236 -14.406 4.805 1.00 0.01 H new ATOM 0 HE2 LYS A 64 15.982 -16.588 4.999 1.00 0.01 H new ATOM 0 HE3 LYS A 64 14.450 -17.314 5.442 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 14.153 -17.417 3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.718 -15.780 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.297 -16.206 2.894 1.00 0.00 H new ATOM 975 N ALA A 65 17.191 -12.802 8.780 1.00 0.00 N ATOM 976 CA ALA A 65 16.853 -11.729 9.753 1.00 0.01 C ATOM 977 C ALA A 65 18.040 -10.770 9.835 1.00 0.01 C ATOM 978 O ALA A 65 17.889 -9.570 9.722 1.00 0.01 O ATOM 979 CB ALA A 65 16.581 -12.329 11.135 1.00 0.01 C ATOM 0 H ALA A 65 17.173 -13.755 9.143 1.00 0.00 H new ATOM 0 HA ALA A 65 15.957 -11.202 9.425 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.335 -11.531 11.836 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.746 -13.026 11.071 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.468 -12.857 11.483 1.00 0.01 H new ATOM 985 N LYS A 66 19.226 -11.292 10.008 1.00 0.01 N ATOM 986 CA LYS A 66 20.419 -10.405 10.070 1.00 0.00 C ATOM 987 C LYS A 66 20.539 -9.639 8.751 1.00 0.01 C ATOM 988 O LYS A 66 20.827 -8.459 8.730 1.00 0.01 O ATOM 989 CB LYS A 66 21.684 -11.239 10.283 1.00 0.01 C ATOM 990 CG LYS A 66 21.688 -11.821 11.698 1.00 0.01 C ATOM 991 CD LYS A 66 22.956 -12.652 11.900 1.00 0.01 C ATOM 992 CE LYS A 66 22.968 -13.238 13.314 1.00 0.00 C ATOM 993 NZ LYS A 66 21.840 -14.199 13.467 1.00 0.00 N ATOM 0 H LYS A 66 19.417 -12.289 10.108 1.00 0.01 H new ATOM 0 HA LYS A 66 20.307 -9.709 10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.728 -12.043 9.549 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.569 -10.620 10.132 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.645 -11.018 12.434 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.805 -12.441 11.851 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.998 -13.454 11.163 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.838 -12.031 11.746 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.916 -13.742 13.502 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.881 -12.439 14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.024 -14.824 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.956 -13.674 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.751 -14.771 12.603 1.00 0.00 H new ATOM 1007 N LYS A 67 20.321 -10.305 7.648 1.00 0.00 N ATOM 1008 CA LYS A 67 20.422 -9.616 6.330 1.00 0.00 C ATOM 1009 C LYS A 67 19.350 -8.529 6.253 1.00 0.01 C ATOM 1010 O LYS A 67 19.627 -7.393 5.923 1.00 0.01 O ATOM 1011 CB LYS A 67 20.193 -10.628 5.204 1.00 0.00 C ATOM 1012 CG LYS A 67 21.196 -11.787 5.314 1.00 0.01 C ATOM 1013 CD LYS A 67 22.612 -11.308 4.970 1.00 0.00 C ATOM 1014 CE LYS A 67 23.510 -12.525 4.725 1.00 0.00 C ATOM 1015 NZ LYS A 67 23.000 -13.289 3.552 1.00 0.01 N ATOM 0 H LYS A 67 20.078 -11.295 7.604 1.00 0.00 H new ATOM 0 HA LYS A 67 21.412 -9.172 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.175 -11.014 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.300 -10.136 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.179 -12.195 6.325 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.905 -12.593 4.640 1.00 0.01 H new ATOM 0 HD2 LYS A 67 22.589 -10.674 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.012 -10.704 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.536 -12.203 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.526 -13.163 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.794 -13.760 3.073 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.316 -14.004 3.874 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 22.533 -12.637 2.889 1.00 0.01 H new ATOM 1029 N ILE A 68 18.126 -8.866 6.562 1.00 0.01 N ATOM 1030 CA ILE A 68 17.047 -7.844 6.512 1.00 0.00 C ATOM 1031 C ILE A 68 17.270 -6.835 7.637 1.00 0.01 C ATOM 1032 O ILE A 68 17.166 -5.640 7.441 1.00 0.00 O ATOM 1033 CB ILE A 68 15.685 -8.522 6.686 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.459 -9.515 5.543 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.578 -7.466 6.669 1.00 0.00 C ATOM 1036 CD1 ILE A 68 14.223 -10.363 5.838 1.00 0.00 C ATOM 0 H ILE A 68 17.830 -9.800 6.845 1.00 0.01 H new ATOM 0 HA ILE A 68 17.066 -7.333 5.550 1.00 0.00 H new ATOM 0 HB ILE A 68 15.665 -9.051 7.639 1.00 0.01 H new ATOM 0 HG12 ILE A 68 15.329 -8.979 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.333 -10.156 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.610 -7.952 6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.737 -6.759 7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.598 -6.934 5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.063 -11.069 5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.371 -10.910 6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.351 -9.715 5.932 1.00 0.00 H new ATOM 1048 N TYR A 69 17.592 -7.306 8.811 1.00 0.00 N ATOM 1049 CA TYR A 69 17.839 -6.372 9.941 1.00 0.01 C ATOM 1050 C TYR A 69 19.010 -5.459 9.582 1.00 0.00 C ATOM 1051 O TYR A 69 18.938 -4.254 9.685 1.00 0.01 O ATOM 1052 CB TYR A 69 18.178 -7.172 11.199 1.00 0.01 C ATOM 1053 CG TYR A 69 18.490 -6.236 12.346 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.805 -5.805 12.555 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.470 -5.817 13.214 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.103 -4.955 13.627 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.772 -4.965 14.286 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.087 -4.538 14.492 1.00 0.01 C ATOM 1059 OH TYR A 69 19.384 -3.702 15.550 1.00 0.01 O ATOM 0 H TYR A 69 17.694 -8.296 9.034 1.00 0.00 H new ATOM 0 HA TYR A 69 16.948 -5.772 10.128 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.341 -7.818 11.465 1.00 0.01 H new ATOM 0 HB3 TYR A 69 19.033 -7.821 11.007 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.591 -6.128 11.889 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.455 -6.150 13.057 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.118 -4.621 13.786 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.988 -4.638 14.953 1.00 0.01 H new ATOM 0 HH TYR A 69 18.556 -3.316 15.905 1.00 0.01 H new ATOM 1069 N ASN A 70 20.091 -6.025 9.145 1.00 0.01 N ATOM 1070 CA ASN A 70 21.257 -5.186 8.775 1.00 0.00 C ATOM 1071 C ASN A 70 20.862 -4.236 7.643 1.00 0.00 C ATOM 1072 O ASN A 70 21.336 -3.121 7.560 1.00 0.01 O ATOM 1073 CB ASN A 70 22.409 -6.083 8.320 1.00 0.00 C ATOM 1074 CG ASN A 70 22.960 -6.845 9.527 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.803 -6.418 10.652 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.604 -7.966 9.339 1.00 0.01 N ATOM 0 H ASN A 70 20.220 -7.030 9.027 1.00 0.01 H new ATOM 0 HA ASN A 70 21.576 -4.604 9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 70 22.062 -6.783 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.196 -5.482 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.974 -8.482 10.137 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.736 -8.326 8.394 1.00 0.01 H new ATOM 1083 N GLU A 71 20.019 -4.681 6.754 1.00 0.00 N ATOM 1084 CA GLU A 71 19.614 -3.821 5.605 1.00 0.00 C ATOM 1085 C GLU A 71 18.533 -2.794 5.991 1.00 0.00 C ATOM 1086 O GLU A 71 18.763 -1.606 5.958 1.00 0.00 O ATOM 1087 CB GLU A 71 19.076 -4.712 4.485 1.00 0.00 C ATOM 1088 CG GLU A 71 18.689 -3.849 3.281 1.00 0.00 C ATOM 1089 CD GLU A 71 18.357 -4.751 2.091 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.481 -5.955 2.234 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.983 -4.222 1.057 1.00 0.00 O ATOM 0 H GLU A 71 19.591 -5.607 6.773 1.00 0.00 H new ATOM 0 HA GLU A 71 20.494 -3.266 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.831 -5.442 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.210 -5.272 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.830 -3.225 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.508 -3.177 3.024 1.00 0.00 H new ATOM 1098 N PHE A 72 17.336 -3.232 6.282 1.00 0.00 N ATOM 1099 CA PHE A 72 16.234 -2.259 6.580 1.00 0.00 C ATOM 1100 C PHE A 72 16.208 -1.769 8.041 1.00 0.00 C ATOM 1101 O PHE A 72 15.542 -0.795 8.332 1.00 0.00 O ATOM 1102 CB PHE A 72 14.896 -2.931 6.265 1.00 0.00 C ATOM 1103 CG PHE A 72 14.753 -3.098 4.771 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.233 -4.254 4.146 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.143 -2.093 4.010 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.103 -4.408 2.762 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.012 -2.246 2.623 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.492 -3.405 1.999 1.00 0.00 C ATOM 0 H PHE A 72 17.071 -4.216 6.327 1.00 0.00 H new ATOM 0 HA PHE A 72 16.413 -1.381 5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.841 -3.902 6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.075 -2.329 6.654 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.704 -5.028 4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.773 -1.200 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.474 -5.301 2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.542 -1.471 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.391 -3.525 0.930 1.00 0.00 H new ATOM 1118 N ILE A 73 16.879 -2.416 8.968 1.00 0.00 N ATOM 1119 CA ILE A 73 16.817 -1.940 10.401 1.00 0.00 C ATOM 1120 C ILE A 73 18.112 -1.233 10.814 1.00 0.00 C ATOM 1121 O ILE A 73 18.113 -0.430 11.724 1.00 0.01 O ATOM 1122 CB ILE A 73 16.578 -3.135 11.331 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.281 -3.855 10.912 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.481 -2.653 12.790 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.080 -2.914 10.986 1.00 0.00 C ATOM 0 H ILE A 73 17.459 -3.239 8.805 1.00 0.00 H new ATOM 0 HA ILE A 73 15.996 -1.228 10.482 1.00 0.00 H new ATOM 0 HB ILE A 73 17.412 -3.832 11.254 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.385 -4.237 9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 73 15.113 -4.715 11.560 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.311 -3.508 13.445 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.410 -2.158 13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.653 -1.951 12.887 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.179 -3.449 10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.963 -2.553 12.008 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.239 -2.067 10.318 1.00 0.00 H new ATOM 1137 N SER A 74 19.216 -1.514 10.178 1.00 0.01 N ATOM 1138 CA SER A 74 20.480 -0.834 10.588 1.00 0.00 C ATOM 1139 C SER A 74 20.303 0.682 10.487 1.00 0.00 C ATOM 1140 O SER A 74 19.977 1.211 9.443 1.00 0.01 O ATOM 1141 CB SER A 74 21.624 -1.261 9.672 1.00 0.00 C ATOM 1142 OG SER A 74 22.802 -0.551 10.032 1.00 0.01 O ATOM 0 H SER A 74 19.300 -2.174 9.405 1.00 0.01 H new ATOM 0 HA SER A 74 20.713 -1.113 11.616 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.792 -2.335 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.367 -1.060 8.632 1.00 0.00 H new ATOM 0 HG SER A 74 23.540 -0.823 9.447 1.00 0.01 H new ATOM 1148 N VAL A 75 20.525 1.384 11.562 1.00 0.01 N ATOM 1149 CA VAL A 75 20.378 2.864 11.528 1.00 0.01 C ATOM 1150 C VAL A 75 21.369 3.454 10.522 1.00 0.00 C ATOM 1151 O VAL A 75 21.300 4.618 10.180 1.00 0.00 O ATOM 1152 CB VAL A 75 20.649 3.439 12.920 1.00 0.00 C ATOM 1153 CG1 VAL A 75 19.646 2.856 13.916 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.072 3.074 13.354 1.00 0.00 C ATOM 0 H VAL A 75 20.802 0.996 12.464 1.00 0.01 H new ATOM 0 HA VAL A 75 19.363 3.121 11.225 1.00 0.01 H new ATOM 0 HB VAL A 75 20.545 4.524 12.893 1.00 0.00 H new ATOM 0 HG11 VAL A 75 19.838 3.265 14.908 1.00 0.01 H new ATOM 0 HG12 VAL A 75 18.633 3.115 13.607 1.00 0.01 H new ATOM 0 HG13 VAL A 75 19.750 1.771 13.944 1.00 0.01 H new ATOM 0 HG21 VAL A 75 22.266 3.483 14.345 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.177 1.989 13.382 1.00 0.00 H new ATOM 0 HG23 VAL A 75 22.787 3.489 12.644 1.00 0.00 H new ATOM 1164 N GLN A 76 22.298 2.662 10.051 1.00 0.01 N ATOM 1165 CA GLN A 76 23.307 3.177 9.072 1.00 0.01 C ATOM 1166 C GLN A 76 22.885 2.800 7.647 1.00 0.01 C ATOM 1167 O GLN A 76 23.394 3.329 6.681 1.00 0.01 O ATOM 1168 CB GLN A 76 24.665 2.539 9.375 1.00 0.00 C ATOM 1169 CG GLN A 76 25.121 2.937 10.781 1.00 0.01 C ATOM 1170 CD GLN A 76 26.439 2.233 11.110 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.764 1.223 10.518 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.217 2.729 12.033 1.00 0.01 N ATOM 0 H GLN A 76 22.403 1.679 10.302 1.00 0.01 H new ATOM 0 HA GLN A 76 23.374 4.262 9.156 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.593 1.454 9.299 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.401 2.861 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.249 4.018 10.841 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.359 2.666 11.512 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.943 3.577 12.529 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.099 2.269 12.258 1.00 0.01 H new ATOM 1181 N ALA A 77 21.960 1.889 7.507 1.00 0.01 N ATOM 1182 CA ALA A 77 21.514 1.481 6.144 1.00 0.00 C ATOM 1183 C ALA A 77 21.127 2.718 5.327 1.00 0.01 C ATOM 1184 O ALA A 77 20.656 3.706 5.855 1.00 0.00 O ATOM 1185 CB ALA A 77 20.318 0.537 6.258 1.00 0.00 C ATOM 0 H ALA A 77 21.494 1.410 8.278 1.00 0.01 H new ATOM 0 HA ALA A 77 22.331 0.967 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.993 0.240 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.606 -0.348 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.501 1.045 6.769 1.00 0.00 H new ATOM 1191 N THR A 78 21.333 2.665 4.040 1.00 0.01 N ATOM 1192 CA THR A 78 20.994 3.827 3.172 1.00 0.01 C ATOM 1193 C THR A 78 19.475 3.960 3.014 1.00 0.01 C ATOM 1194 O THR A 78 18.982 5.000 2.623 1.00 0.00 O ATOM 1195 CB THR A 78 21.631 3.625 1.794 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.129 2.428 1.217 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.150 3.527 1.941 1.00 0.01 C ATOM 0 H THR A 78 21.724 1.861 3.549 1.00 0.01 H new ATOM 0 HA THR A 78 21.377 4.737 3.635 1.00 0.01 H new ATOM 0 HB THR A 78 21.387 4.470 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.533 2.296 0.334 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.602 3.383 0.960 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.533 4.446 2.386 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.400 2.682 2.583 1.00 0.01 H new ATOM 1205 N LYS A 79 18.726 2.919 3.297 1.00 0.00 N ATOM 1206 CA LYS A 79 17.232 2.988 3.140 1.00 0.00 C ATOM 1207 C LYS A 79 16.525 2.475 4.402 1.00 0.00 C ATOM 1208 O LYS A 79 15.940 1.410 4.412 1.00 0.00 O ATOM 1209 CB LYS A 79 16.812 2.135 1.939 1.00 0.00 C ATOM 1210 CG LYS A 79 17.527 0.779 1.988 1.00 0.00 C ATOM 1211 CD LYS A 79 17.101 -0.063 0.787 1.00 0.01 C ATOM 1212 CE LYS A 79 17.644 -1.484 0.943 1.00 0.00 C ATOM 1213 NZ LYS A 79 17.500 -2.211 -0.349 1.00 0.00 N ATOM 0 H LYS A 79 19.083 2.023 3.630 1.00 0.00 H new ATOM 0 HA LYS A 79 16.945 4.028 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.732 1.987 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.057 2.652 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.607 0.925 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.283 0.260 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.014 -0.084 0.711 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.476 0.382 -0.134 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.692 -1.454 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.103 -2.008 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.675 -3.225 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.537 -2.077 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.188 -1.839 -1.035 1.00 0.00 H new ATOM 1227 N GLU A 80 16.548 3.239 5.460 1.00 0.00 N ATOM 1228 CA GLU A 80 15.852 2.801 6.705 1.00 0.00 C ATOM 1229 C GLU A 80 14.354 3.075 6.574 1.00 0.00 C ATOM 1230 O GLU A 80 13.923 3.874 5.768 1.00 0.00 O ATOM 1231 CB GLU A 80 16.410 3.565 7.916 1.00 0.00 C ATOM 1232 CG GLU A 80 17.724 2.925 8.369 1.00 0.00 C ATOM 1233 CD GLU A 80 17.418 1.577 9.027 1.00 0.01 C ATOM 1234 OE1 GLU A 80 16.701 1.572 10.013 1.00 0.00 O ATOM 1235 OE2 GLU A 80 17.895 0.571 8.528 1.00 0.01 O ATOM 0 H GLU A 80 17.016 4.143 5.517 1.00 0.00 H new ATOM 0 HA GLU A 80 16.018 1.734 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.575 4.610 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.687 3.551 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.389 2.786 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.239 3.579 9.072 1.00 0.00 H new ATOM 1242 N VAL A 81 13.559 2.409 7.369 1.00 0.00 N ATOM 1243 CA VAL A 81 12.079 2.611 7.310 1.00 0.00 C ATOM 1244 C VAL A 81 11.653 3.550 8.441 1.00 0.00 C ATOM 1245 O VAL A 81 12.185 3.504 9.533 1.00 0.00 O ATOM 1246 CB VAL A 81 11.375 1.256 7.467 1.00 0.00 C ATOM 1247 CG1 VAL A 81 11.386 0.512 6.132 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.111 0.410 8.511 1.00 0.00 C ATOM 0 H VAL A 81 13.872 1.729 8.062 1.00 0.00 H new ATOM 0 HA VAL A 81 11.804 3.051 6.352 1.00 0.00 H new ATOM 0 HB VAL A 81 10.347 1.426 7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.885 -0.449 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.864 1.105 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.416 0.349 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.609 -0.551 8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.139 0.248 8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.109 0.931 9.468 1.00 0.00 H new ATOM 1258 N ASN A 82 10.700 4.405 8.182 1.00 0.00 N ATOM 1259 CA ASN A 82 10.240 5.353 9.235 1.00 0.00 C ATOM 1260 C ASN A 82 9.397 4.603 10.267 1.00 0.00 C ATOM 1261 O ASN A 82 8.264 4.241 10.015 1.00 0.00 O ATOM 1262 CB ASN A 82 9.393 6.452 8.590 1.00 0.00 C ATOM 1263 CG ASN A 82 8.346 5.816 7.674 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.596 6.507 7.015 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.265 4.516 7.603 1.00 0.00 N ATOM 0 H ASN A 82 10.220 4.487 7.285 1.00 0.00 H new ATOM 0 HA ASN A 82 11.105 5.797 9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.904 7.048 9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.029 7.128 8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.572 4.081 6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.895 3.935 8.156 1.00 0.00 H new ATOM 1272 N LEU A 83 9.946 4.367 11.429 1.00 0.00 N ATOM 1273 CA LEU A 83 9.196 3.635 12.497 1.00 0.00 C ATOM 1274 C LEU A 83 9.606 4.182 13.864 1.00 0.00 C ATOM 1275 O LEU A 83 10.491 5.007 13.973 1.00 0.00 O ATOM 1276 CB LEU A 83 9.517 2.139 12.427 1.00 0.01 C ATOM 1277 CG LEU A 83 8.809 1.497 11.218 1.00 0.00 C ATOM 1278 CD1 LEU A 83 9.310 0.063 11.039 1.00 0.00 C ATOM 1279 CD2 LEU A 83 7.279 1.495 11.428 1.00 0.00 C ATOM 0 H LEU A 83 10.891 4.652 11.688 1.00 0.00 H new ATOM 0 HA LEU A 83 8.125 3.777 12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.594 1.995 12.345 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.198 1.648 13.347 1.00 0.01 H new ATOM 0 HG LEU A 83 9.036 2.078 10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.810 -0.393 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.386 0.072 10.868 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.091 -0.514 11.938 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.794 1.038 10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.036 0.925 12.325 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.926 2.520 11.542 1.00 0.00 H new ATOM 1291 N ASP A 84 8.966 3.737 14.909 1.00 0.01 N ATOM 1292 CA ASP A 84 9.316 4.242 16.264 1.00 0.00 C ATOM 1293 C ASP A 84 10.694 3.711 16.661 1.00 0.00 C ATOM 1294 O ASP A 84 11.127 2.672 16.204 1.00 0.00 O ATOM 1295 CB ASP A 84 8.274 3.759 17.275 1.00 0.00 C ATOM 1296 CG ASP A 84 6.948 4.480 17.026 1.00 0.01 C ATOM 1297 OD1 ASP A 84 6.978 5.537 16.417 1.00 0.01 O ATOM 1298 OD2 ASP A 84 5.928 3.963 17.449 1.00 0.00 O ATOM 0 H ASP A 84 8.216 3.046 14.883 1.00 0.01 H new ATOM 0 HA ASP A 84 9.332 5.332 16.254 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.137 2.681 17.185 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.620 3.952 18.290 1.00 0.00 H new ATOM 1303 N SER A 85 11.389 4.421 17.505 1.00 0.00 N ATOM 1304 CA SER A 85 12.742 3.967 17.927 1.00 0.01 C ATOM 1305 C SER A 85 12.612 2.727 18.815 1.00 0.01 C ATOM 1306 O SER A 85 13.563 2.001 19.023 1.00 0.00 O ATOM 1307 CB SER A 85 13.435 5.086 18.704 1.00 0.01 C ATOM 1308 OG SER A 85 13.595 6.214 17.852 1.00 0.00 O ATOM 0 H SER A 85 11.077 5.298 17.921 1.00 0.00 H new ATOM 0 HA SER A 85 13.334 3.718 17.046 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.845 5.357 19.580 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.406 4.747 19.066 1.00 0.01 H new ATOM 0 HG SER A 85 14.037 6.936 18.345 1.00 0.00 H new ATOM 1314 N CYS A 86 11.445 2.481 19.341 1.00 0.01 N ATOM 1315 CA CYS A 86 11.261 1.289 20.216 1.00 0.01 C ATOM 1316 C CYS A 86 11.040 0.046 19.351 1.00 0.00 C ATOM 1317 O CYS A 86 11.568 -1.011 19.627 1.00 0.01 O ATOM 1318 CB CYS A 86 10.045 1.503 21.121 1.00 0.01 C ATOM 1319 SG CYS A 86 8.534 1.469 20.124 1.00 0.01 S ATOM 0 H CYS A 86 10.611 3.053 19.203 1.00 0.01 H new ATOM 0 HA CYS A 86 12.151 1.150 20.829 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.006 0.727 21.885 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.129 2.458 21.640 1.00 0.01 H new ATOM 0 HG CYS A 86 7.502 1.649 20.894 1.00 0.01 H new ATOM 1325 N THR A 87 10.269 0.164 18.306 1.00 0.00 N ATOM 1326 CA THR A 87 10.024 -1.016 17.426 1.00 0.00 C ATOM 1327 C THR A 87 11.355 -1.504 16.853 1.00 0.00 C ATOM 1328 O THR A 87 11.613 -2.689 16.769 1.00 0.01 O ATOM 1329 CB THR A 87 9.088 -0.621 16.280 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.856 -0.169 16.817 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.833 -1.837 15.387 1.00 0.00 C ATOM 0 H THR A 87 9.798 1.023 18.023 1.00 0.00 H new ATOM 0 HA THR A 87 9.561 -1.813 18.008 1.00 0.00 H new ATOM 0 HB THR A 87 9.547 0.173 15.692 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.764 -0.488 17.739 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.167 -1.556 14.571 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.779 -2.192 14.977 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.372 -2.630 15.975 1.00 0.00 H new ATOM 1339 N ARG A 88 12.203 -0.596 16.456 1.00 0.01 N ATOM 1340 CA ARG A 88 13.521 -0.997 15.884 1.00 0.00 C ATOM 1341 C ARG A 88 14.335 -1.710 16.959 1.00 0.00 C ATOM 1342 O ARG A 88 14.815 -2.810 16.766 1.00 0.01 O ATOM 1343 CB ARG A 88 14.264 0.261 15.438 1.00 0.00 C ATOM 1344 CG ARG A 88 13.397 1.045 14.446 1.00 0.00 C ATOM 1345 CD ARG A 88 13.293 0.300 13.113 1.00 0.00 C ATOM 1346 NE ARG A 88 12.235 -0.745 13.211 1.00 0.01 N ATOM 1347 CZ ARG A 88 11.804 -1.336 12.137 1.00 0.00 C ATOM 1348 NH1 ARG A 88 12.284 -0.994 10.974 1.00 0.00 N ATOM 1349 NH2 ARG A 88 10.895 -2.269 12.222 1.00 0.01 N ATOM 0 H ARG A 88 12.040 0.410 16.503 1.00 0.01 H new ATOM 0 HA ARG A 88 13.375 -1.664 15.034 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.499 0.883 16.302 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.212 -0.010 14.973 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.401 1.194 14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.825 2.034 14.283 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.056 0.999 12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.250 -0.158 12.864 1.00 0.00 H new ATOM 0 HE ARG A 88 11.849 -0.996 14.121 1.00 0.01 H new ATOM 0 HH11 ARG A 88 12.995 -0.265 10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.949 -1.455 10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.521 -2.536 13.133 1.00 0.01 H new ATOM 0 HH22 ARG A 88 10.558 -2.731 11.377 1.00 0.01 H new ATOM 1363 N GLU A 89 14.476 -1.097 18.100 1.00 0.01 N ATOM 1364 CA GLU A 89 15.235 -1.745 19.197 1.00 0.01 C ATOM 1365 C GLU A 89 14.536 -3.053 19.531 1.00 0.01 C ATOM 1366 O GLU A 89 15.155 -4.067 19.776 1.00 0.00 O ATOM 1367 CB GLU A 89 15.249 -0.826 20.416 1.00 0.01 C ATOM 1368 CG GLU A 89 16.097 0.409 20.096 1.00 0.01 C ATOM 1369 CD GLU A 89 16.076 1.369 21.286 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.372 1.083 22.239 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.765 2.374 21.221 1.00 0.01 O ATOM 0 H GLU A 89 14.097 -0.175 18.318 1.00 0.01 H new ATOM 0 HA GLU A 89 16.266 -1.936 18.899 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.233 -0.529 20.676 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.658 -1.351 21.279 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.122 0.111 19.874 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.710 0.907 19.207 1.00 0.01 H new ATOM 1378 N GLU A 90 13.233 -3.033 19.522 1.00 0.00 N ATOM 1379 CA GLU A 90 12.467 -4.265 19.816 1.00 0.01 C ATOM 1380 C GLU A 90 12.842 -5.330 18.786 1.00 0.01 C ATOM 1381 O GLU A 90 12.972 -6.494 19.109 1.00 0.01 O ATOM 1382 CB GLU A 90 10.969 -3.968 19.740 1.00 0.01 C ATOM 1383 CG GLU A 90 10.177 -5.166 20.262 1.00 0.00 C ATOM 1384 CD GLU A 90 8.707 -4.776 20.417 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.392 -3.623 20.169 1.00 0.00 O ATOM 1386 OE2 GLU A 90 7.922 -5.633 20.784 1.00 0.01 O ATOM 0 H GLU A 90 12.666 -2.209 19.322 1.00 0.00 H new ATOM 0 HA GLU A 90 12.703 -4.623 20.818 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.734 -3.081 20.328 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.683 -3.752 18.710 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.271 -6.006 19.573 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.581 -5.493 21.220 1.00 0.00 H new ATOM 1393 N THR A 91 13.020 -4.950 17.546 1.00 0.01 N ATOM 1394 CA THR A 91 13.386 -5.968 16.521 1.00 0.01 C ATOM 1395 C THR A 91 14.707 -6.621 16.926 1.00 0.01 C ATOM 1396 O THR A 91 14.882 -7.812 16.793 1.00 0.01 O ATOM 1397 CB THR A 91 13.552 -5.307 15.144 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.555 -4.308 14.978 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.397 -6.363 14.045 1.00 0.01 C ATOM 0 H THR A 91 12.929 -3.993 17.205 1.00 0.01 H new ATOM 0 HA THR A 91 12.595 -6.715 16.459 1.00 0.01 H new ATOM 0 HB THR A 91 14.541 -4.855 15.077 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.761 -3.541 15.553 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.515 -5.892 13.069 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.158 -7.133 14.171 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.408 -6.816 14.112 1.00 0.01 H new ATOM 1407 N SER A 92 15.639 -5.852 17.424 1.00 0.01 N ATOM 1408 CA SER A 92 16.941 -6.446 17.832 1.00 0.01 C ATOM 1409 C SER A 92 16.691 -7.496 18.913 1.00 0.01 C ATOM 1410 O SER A 92 17.285 -8.554 18.911 1.00 0.00 O ATOM 1411 CB SER A 92 17.861 -5.349 18.376 1.00 0.01 C ATOM 1412 OG SER A 92 17.360 -4.895 19.625 1.00 0.01 O ATOM 0 H SER A 92 15.554 -4.845 17.564 1.00 0.01 H new ATOM 0 HA SER A 92 17.419 -6.913 16.971 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.874 -5.734 18.495 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.916 -4.520 17.670 1.00 0.01 H new ATOM 0 HG SER A 92 16.409 -4.676 19.536 1.00 0.01 H new ATOM 1418 N ARG A 93 15.797 -7.225 19.822 1.00 0.01 N ATOM 1419 CA ARG A 93 15.494 -8.227 20.880 1.00 0.01 C ATOM 1420 C ARG A 93 14.836 -9.446 20.229 1.00 0.01 C ATOM 1421 O ARG A 93 15.114 -10.576 20.574 1.00 0.01 O ATOM 1422 CB ARG A 93 14.560 -7.611 21.926 1.00 0.00 C ATOM 1423 CG ARG A 93 15.333 -6.555 22.731 1.00 0.01 C ATOM 1424 CD ARG A 93 14.420 -5.917 23.791 1.00 0.01 C ATOM 1425 NE ARG A 93 13.666 -4.762 23.196 1.00 0.00 N ATOM 1426 CZ ARG A 93 14.281 -3.713 22.717 1.00 0.01 C ATOM 1427 NH1 ARG A 93 15.577 -3.598 22.822 1.00 0.00 N ATOM 1428 NH2 ARG A 93 13.592 -2.752 22.166 1.00 0.01 N ATOM 0 H ARG A 93 15.265 -6.356 19.878 1.00 0.01 H new ATOM 0 HA ARG A 93 16.414 -8.534 21.378 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.698 -7.155 21.439 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.178 -8.385 22.591 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.195 -7.015 23.214 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.716 -5.786 22.061 1.00 0.01 H new ATOM 0 HD2 ARG A 93 13.720 -6.660 24.174 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.016 -5.575 24.637 1.00 0.01 H new ATOM 0 HE ARG A 93 12.647 -4.797 23.165 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.118 -4.331 23.281 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.048 -2.776 22.445 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.576 -2.820 22.110 1.00 0.01 H new ATOM 0 HH22 ARG A 93 14.069 -1.932 21.791 1.00 0.01 H new ATOM 1442 N ASN A 94 13.969 -9.217 19.280 1.00 0.01 N ATOM 1443 CA ASN A 94 13.291 -10.349 18.583 1.00 0.01 C ATOM 1444 C ASN A 94 14.337 -11.215 17.879 1.00 0.01 C ATOM 1445 O ASN A 94 14.204 -12.419 17.789 1.00 0.01 O ATOM 1446 CB ASN A 94 12.301 -9.799 17.551 1.00 0.01 C ATOM 1447 CG ASN A 94 11.100 -9.181 18.271 1.00 0.01 C ATOM 1448 OD1 ASN A 94 10.818 -8.010 18.110 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.373 -9.925 19.061 1.00 0.01 N ATOM 0 H ASN A 94 13.699 -8.288 18.955 1.00 0.01 H new ATOM 0 HA ASN A 94 12.752 -10.953 19.313 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.789 -9.050 16.927 1.00 0.01 H new ATOM 0 HB3 ASN A 94 11.969 -10.598 16.889 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.569 -9.523 19.543 1.00 0.01 H new ATOM 0 HD22 ASN A 94 10.610 -10.908 19.196 1.00 0.01 H new ATOM 1456 N MET A 95 15.374 -10.608 17.370 1.00 0.01 N ATOM 1457 CA MET A 95 16.429 -11.390 16.661 1.00 0.01 C ATOM 1458 C MET A 95 17.015 -12.430 17.611 1.00 0.01 C ATOM 1459 O MET A 95 17.392 -13.510 17.204 1.00 0.01 O ATOM 1460 CB MET A 95 17.530 -10.445 16.189 1.00 0.01 C ATOM 1461 CG MET A 95 16.988 -9.574 15.057 1.00 0.01 C ATOM 1462 SD MET A 95 18.139 -8.218 14.742 1.00 0.01 S ATOM 1463 CE MET A 95 19.143 -9.054 13.498 1.00 0.01 C ATOM 0 H MET A 95 15.537 -9.602 17.414 1.00 0.01 H new ATOM 0 HA MET A 95 15.993 -11.895 15.799 1.00 0.01 H new ATOM 0 HB2 MET A 95 17.869 -9.820 17.015 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.393 -11.015 15.845 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.856 -10.171 14.155 1.00 0.01 H new ATOM 0 HG3 MET A 95 16.008 -9.179 15.324 1.00 0.01 H new ATOM 0 HE1 MET A 95 19.921 -8.378 13.144 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.603 -9.939 13.937 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.512 -9.351 12.660 1.00 0.01 H new ATOM 1473 N LEU A 96 17.084 -12.127 18.876 1.00 0.01 N ATOM 1474 CA LEU A 96 17.626 -13.119 19.842 1.00 0.01 C ATOM 1475 C LEU A 96 16.666 -14.310 19.856 1.00 0.01 C ATOM 1476 O LEU A 96 17.012 -15.410 20.238 1.00 0.01 O ATOM 1477 CB LEU A 96 17.698 -12.487 21.235 1.00 0.01 C ATOM 1478 CG LEU A 96 18.610 -11.252 21.199 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.560 -10.552 22.559 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.059 -11.665 20.882 1.00 0.01 C ATOM 0 H LEU A 96 16.790 -11.238 19.281 1.00 0.01 H new ATOM 0 HA LEU A 96 18.628 -13.439 19.557 1.00 0.01 H new ATOM 0 HB2 LEU A 96 16.700 -12.204 21.568 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.080 -13.212 21.954 1.00 0.01 H new ATOM 0 HG LEU A 96 18.263 -10.573 20.420 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.206 -9.674 22.540 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.536 -10.245 22.773 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.903 -11.238 23.334 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.693 -10.779 20.860 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.419 -12.350 21.650 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.092 -12.159 19.911 1.00 0.01 H new ATOM 1492 N GLU A 97 15.458 -14.080 19.415 1.00 0.01 N ATOM 1493 CA GLU A 97 14.427 -15.157 19.353 1.00 0.01 C ATOM 1494 C GLU A 97 13.629 -14.962 18.055 1.00 0.01 C ATOM 1495 O GLU A 97 12.551 -14.403 18.071 1.00 0.01 O ATOM 1496 CB GLU A 97 13.483 -15.027 20.553 1.00 0.01 C ATOM 1497 CG GLU A 97 14.226 -15.404 21.838 1.00 0.01 C ATOM 1498 CD GLU A 97 13.317 -15.161 23.046 1.00 0.01 C ATOM 1499 OE1 GLU A 97 12.719 -14.100 23.109 1.00 0.01 O ATOM 1500 OE2 GLU A 97 13.236 -16.041 23.887 1.00 0.01 O ATOM 0 H GLU A 97 15.136 -13.169 19.088 1.00 0.01 H new ATOM 0 HA GLU A 97 14.896 -16.141 19.374 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.109 -14.006 20.624 1.00 0.01 H new ATOM 0 HB3 GLU A 97 12.617 -15.675 20.419 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.528 -16.451 21.802 1.00 0.01 H new ATOM 0 HG3 GLU A 97 15.137 -14.812 21.930 1.00 0.01 H new ATOM 1507 N PRO A 98 14.163 -15.389 16.928 1.00 0.01 N ATOM 1508 CA PRO A 98 13.460 -15.202 15.623 1.00 0.01 C ATOM 1509 C PRO A 98 12.080 -15.869 15.609 1.00 0.01 C ATOM 1510 O PRO A 98 11.962 -17.078 15.619 1.00 0.01 O ATOM 1511 CB PRO A 98 14.434 -15.855 14.618 1.00 0.00 C ATOM 1512 CG PRO A 98 15.751 -16.160 15.358 1.00 0.01 C ATOM 1513 CD PRO A 98 15.479 -16.088 16.870 1.00 0.01 C ATOM 0 HA PRO A 98 13.247 -14.157 15.396 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.005 -16.771 14.212 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.616 -15.188 13.776 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.121 -17.148 15.085 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.521 -15.442 15.075 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.432 -17.079 17.322 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.256 -15.534 17.396 1.00 0.01 H new ATOM 1521 N THR A 99 11.035 -15.078 15.592 1.00 0.01 N ATOM 1522 CA THR A 99 9.646 -15.635 15.584 1.00 0.01 C ATOM 1523 C THR A 99 8.829 -14.959 14.483 1.00 0.01 C ATOM 1524 O THR A 99 9.264 -14.009 13.860 1.00 0.01 O ATOM 1525 CB THR A 99 8.989 -15.369 16.941 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.142 -13.996 17.280 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.650 -16.239 18.009 1.00 0.00 C ATOM 0 H THR A 99 11.086 -14.059 15.583 1.00 0.01 H new ATOM 0 HA THR A 99 9.685 -16.708 15.398 1.00 0.01 H new ATOM 0 HB THR A 99 7.928 -15.612 16.885 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.260 -13.594 17.425 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.181 -16.049 18.975 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.529 -17.290 17.748 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.712 -15.999 18.068 1.00 0.00 H new ATOM 1535 N ILE A 100 7.644 -15.440 14.244 1.00 0.00 N ATOM 1536 CA ILE A 100 6.786 -14.835 13.190 1.00 0.01 C ATOM 1537 C ILE A 100 6.287 -13.471 13.679 1.00 0.01 C ATOM 1538 O ILE A 100 5.764 -12.678 12.920 1.00 0.01 O ATOM 1539 CB ILE A 100 5.603 -15.777 12.919 1.00 0.00 C ATOM 1540 CG1 ILE A 100 4.644 -15.164 11.891 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.845 -16.034 14.219 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.393 -14.813 10.606 1.00 0.01 C ATOM 0 H ILE A 100 7.230 -16.231 14.736 1.00 0.00 H new ATOM 0 HA ILE A 100 7.349 -14.694 12.267 1.00 0.01 H new ATOM 0 HB ILE A 100 5.993 -16.714 12.522 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.840 -15.866 11.670 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.181 -14.269 12.305 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.006 -16.702 14.025 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.515 -16.494 14.946 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.472 -15.090 14.616 1.00 0.01 H new ATOM 0 HD11 ILE A 100 4.698 -14.379 9.887 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.181 -14.093 10.829 1.00 0.01 H new ATOM 0 HD13 ILE A 100 5.835 -15.716 10.184 1.00 0.01 H new ATOM 1554 N THR A 101 6.459 -13.187 14.945 1.00 0.00 N ATOM 1555 CA THR A 101 6.006 -11.872 15.496 1.00 0.01 C ATOM 1556 C THR A 101 7.174 -10.880 15.482 1.00 0.01 C ATOM 1557 O THR A 101 7.047 -9.748 15.905 1.00 0.01 O ATOM 1558 CB THR A 101 5.532 -12.063 16.938 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.609 -12.553 17.725 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.378 -13.065 16.968 1.00 0.01 C ATOM 0 H THR A 101 6.895 -13.811 15.624 1.00 0.00 H new ATOM 0 HA THR A 101 5.190 -11.487 14.885 1.00 0.01 H new ATOM 0 HB THR A 101 5.191 -11.109 17.340 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.309 -12.675 18.650 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.041 -13.201 17.996 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.554 -12.689 16.362 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.716 -14.021 16.568 1.00 0.01 H new ATOM 1568 N CYS A 102 8.314 -11.305 15.012 1.00 0.00 N ATOM 1569 CA CYS A 102 9.501 -10.404 14.981 1.00 0.00 C ATOM 1570 C CYS A 102 9.235 -9.173 14.106 1.00 0.01 C ATOM 1571 O CYS A 102 9.359 -8.051 14.552 1.00 0.01 O ATOM 1572 CB CYS A 102 10.699 -11.173 14.420 1.00 0.00 C ATOM 1573 SG CYS A 102 12.071 -10.029 14.132 1.00 0.01 S ATOM 0 H CYS A 102 8.476 -12.243 14.646 1.00 0.00 H new ATOM 0 HA CYS A 102 9.708 -10.067 15.997 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.003 -11.953 15.118 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.423 -11.668 13.489 1.00 0.00 H new ATOM 0 HG CYS A 102 12.174 -9.787 12.859 1.00 0.01 H new ATOM 1579 N PHE A 103 8.901 -9.370 12.854 1.00 0.00 N ATOM 1580 CA PHE A 103 8.663 -8.201 11.948 1.00 0.01 C ATOM 1581 C PHE A 103 7.173 -7.838 11.888 1.00 0.01 C ATOM 1582 O PHE A 103 6.798 -6.865 11.264 1.00 0.00 O ATOM 1583 CB PHE A 103 9.162 -8.553 10.543 1.00 0.00 C ATOM 1584 CG PHE A 103 10.676 -8.566 10.532 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.374 -9.729 10.875 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.382 -7.411 10.174 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.775 -9.739 10.860 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.783 -7.420 10.159 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.479 -8.583 10.502 1.00 0.00 C ATOM 0 H PHE A 103 8.783 -10.286 12.421 1.00 0.00 H new ATOM 0 HA PHE A 103 9.204 -7.340 12.339 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.777 -9.528 10.243 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.789 -7.827 9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.832 -10.621 11.152 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.846 -6.512 9.909 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.312 -10.638 11.125 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.326 -6.528 9.882 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.559 -8.590 10.491 1.00 0.00 H new ATOM 1599 N ASP A 104 6.319 -8.582 12.538 1.00 0.01 N ATOM 1600 CA ASP A 104 4.866 -8.232 12.507 1.00 0.01 C ATOM 1601 C ASP A 104 4.681 -6.832 13.092 1.00 0.00 C ATOM 1602 O ASP A 104 3.897 -6.040 12.607 1.00 0.01 O ATOM 1603 CB ASP A 104 4.060 -9.234 13.334 1.00 0.01 C ATOM 1604 CG ASP A 104 4.005 -10.579 12.604 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.377 -10.616 11.444 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.579 -11.546 13.214 1.00 0.00 O ATOM 0 H ASP A 104 6.559 -9.409 13.084 1.00 0.01 H new ATOM 0 HA ASP A 104 4.513 -8.261 11.476 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.516 -9.360 14.316 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.051 -8.857 13.498 1.00 0.01 H new ATOM 1611 N GLU A 105 5.400 -6.526 14.134 1.00 0.00 N ATOM 1612 CA GLU A 105 5.278 -5.184 14.766 1.00 0.00 C ATOM 1613 C GLU A 105 5.673 -4.109 13.759 1.00 0.00 C ATOM 1614 O GLU A 105 5.061 -3.063 13.682 1.00 0.01 O ATOM 1615 CB GLU A 105 6.203 -5.115 15.980 1.00 0.00 C ATOM 1616 CG GLU A 105 5.654 -6.018 17.084 1.00 0.00 C ATOM 1617 CD GLU A 105 6.609 -5.997 18.276 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.695 -5.467 18.126 1.00 0.00 O ATOM 1619 OE2 GLU A 105 6.237 -6.511 19.319 1.00 0.01 O ATOM 0 H GLU A 105 6.072 -7.152 14.578 1.00 0.00 H new ATOM 0 HA GLU A 105 4.248 -5.019 15.082 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.209 -5.430 15.703 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.277 -4.088 16.337 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.665 -5.677 17.390 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.540 -7.037 16.713 1.00 0.00 H new ATOM 1626 N ALA A 106 6.692 -4.351 12.984 1.00 0.00 N ATOM 1627 CA ALA A 106 7.112 -3.331 11.990 1.00 0.00 C ATOM 1628 C ALA A 106 6.019 -3.189 10.931 1.00 0.00 C ATOM 1629 O ALA A 106 5.541 -2.107 10.666 1.00 0.00 O ATOM 1630 CB ALA A 106 8.412 -3.778 11.321 1.00 0.00 C ATOM 0 H ALA A 106 7.248 -5.206 12.997 1.00 0.00 H new ATOM 0 HA ALA A 106 7.271 -2.374 12.488 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.721 -3.030 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.190 -3.891 12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.253 -4.732 10.818 1.00 0.00 H new ATOM 1636 N GLN A 107 5.607 -4.273 10.335 1.00 0.00 N ATOM 1637 CA GLN A 107 4.540 -4.191 9.298 1.00 0.00 C ATOM 1638 C GLN A 107 3.269 -3.605 9.917 1.00 0.00 C ATOM 1639 O GLN A 107 2.587 -2.802 9.309 1.00 0.00 O ATOM 1640 CB GLN A 107 4.254 -5.594 8.765 1.00 0.00 C ATOM 1641 CG GLN A 107 3.117 -5.535 7.746 1.00 0.00 C ATOM 1642 CD GLN A 107 2.995 -6.890 7.047 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.619 -7.120 6.029 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.212 -7.803 7.551 1.00 0.00 N ATOM 0 H GLN A 107 5.962 -5.211 10.520 1.00 0.00 H new ATOM 0 HA GLN A 107 4.868 -3.549 8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.150 -6.007 8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.985 -6.258 9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.180 -5.284 8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.310 -4.751 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.688 -7.611 8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.123 -8.709 7.091 1.00 0.00 H new ATOM 1653 N LYS A 108 2.948 -3.990 11.120 1.00 0.00 N ATOM 1654 CA LYS A 108 1.726 -3.439 11.772 1.00 0.00 C ATOM 1655 C LYS A 108 1.870 -1.919 11.878 1.00 0.00 C ATOM 1656 O LYS A 108 0.945 -1.176 11.613 1.00 0.00 O ATOM 1657 CB LYS A 108 1.580 -4.039 13.175 1.00 0.00 C ATOM 1658 CG LYS A 108 0.325 -3.476 13.847 1.00 0.00 C ATOM 1659 CD LYS A 108 0.112 -4.157 15.205 1.00 0.01 C ATOM 1660 CE LYS A 108 1.274 -3.822 16.152 1.00 0.00 C ATOM 1661 NZ LYS A 108 0.810 -3.940 17.565 1.00 0.00 N ATOM 0 H LYS A 108 3.476 -4.660 11.679 1.00 0.00 H new ATOM 0 HA LYS A 108 0.844 -3.689 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.515 -5.125 13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.461 -3.807 13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.426 -2.399 13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.544 -3.637 13.209 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.830 -3.827 15.642 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.041 -5.237 15.072 1.00 0.01 H new ATOM 0 HE2 LYS A 108 2.110 -4.499 15.974 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.635 -2.812 15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.595 -3.714 18.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.026 -3.277 17.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.485 -4.912 17.744 1.00 0.00 H new ATOM 1675 N LYS A 109 3.025 -1.454 12.263 1.00 0.01 N ATOM 1676 CA LYS A 109 3.236 0.015 12.384 1.00 0.00 C ATOM 1677 C LYS A 109 3.199 0.647 10.989 1.00 0.00 C ATOM 1678 O LYS A 109 2.672 1.726 10.804 1.00 0.00 O ATOM 1679 CB LYS A 109 4.593 0.291 13.033 1.00 0.00 C ATOM 1680 CG LYS A 109 4.595 -0.181 14.496 1.00 0.00 C ATOM 1681 CD LYS A 109 3.903 0.847 15.401 1.00 0.01 C ATOM 1682 CE LYS A 109 4.142 0.467 16.864 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.595 0.586 17.170 1.00 0.01 N ATOM 0 H LYS A 109 3.834 -2.029 12.500 1.00 0.01 H new ATOM 0 HA LYS A 109 2.449 0.445 13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.379 -0.221 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.814 1.357 12.988 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.086 -1.142 14.574 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.620 -0.336 14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.293 1.845 15.203 1.00 0.01 H new ATOM 0 HD3 LYS A 109 2.834 0.875 15.190 1.00 0.01 H new ATOM 0 HE2 LYS A 109 3.565 1.119 17.520 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.802 -0.552 17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.727 0.683 18.197 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.091 -0.265 16.836 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 5.983 1.424 16.691 1.00 0.01 H new ATOM 1697 N ILE A 110 3.753 -0.013 10.003 1.00 0.00 N ATOM 1698 CA ILE A 110 3.740 0.566 8.629 1.00 0.00 C ATOM 1699 C ILE A 110 2.288 0.724 8.174 1.00 0.00 C ATOM 1700 O ILE A 110 1.912 1.743 7.631 1.00 0.00 O ATOM 1701 CB ILE A 110 4.501 -0.356 7.662 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.014 -0.323 7.970 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.258 0.077 6.212 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.591 1.102 7.834 1.00 0.00 C ATOM 0 H ILE A 110 4.210 -0.921 10.091 1.00 0.00 H new ATOM 0 HA ILE A 110 4.230 1.540 8.634 1.00 0.00 H new ATOM 0 HB ILE A 110 4.134 -1.374 7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.188 -0.692 8.981 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.539 -0.995 7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.803 -0.585 5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.192 0.023 5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.606 1.101 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.658 1.086 8.058 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.440 1.460 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.084 1.768 8.532 1.00 0.00 H new ATOM 1716 N PHE A 111 1.460 -0.258 8.405 1.00 0.00 N ATOM 1717 CA PHE A 111 0.037 -0.119 7.993 1.00 0.00 C ATOM 1718 C PHE A 111 -0.556 1.088 8.728 1.00 0.00 C ATOM 1719 O PHE A 111 -1.160 1.954 8.134 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.739 -1.409 8.356 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.894 -2.286 7.129 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.213 -2.555 6.317 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.150 -2.815 6.796 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.067 -3.350 5.175 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.294 -3.611 5.656 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.188 -3.879 4.845 1.00 0.00 C ATOM 0 H PHE A 111 1.704 -1.140 8.856 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.037 0.032 6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.209 -1.954 9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.720 -1.152 8.756 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.181 -2.149 6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.006 -2.607 7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.922 -3.556 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.261 -4.019 5.402 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.300 -4.494 3.964 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.379 1.155 10.014 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.927 2.310 10.772 1.00 0.00 C ATOM 1738 C ASN A 112 -0.226 3.599 10.327 1.00 0.00 C ATOM 1739 O ASN A 112 -0.852 4.621 10.128 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.692 2.085 12.267 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.564 0.924 12.750 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.140 0.133 13.569 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.768 0.781 12.269 1.00 0.00 N ATOM 0 H ASN A 112 0.120 0.463 10.573 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.996 2.401 10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.360 1.866 12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.932 2.991 12.824 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.353 0.006 12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.125 1.445 11.581 1.00 0.00 H new ATOM 1750 N LEU A 113 1.074 3.560 10.177 1.00 0.00 N ATOM 1751 CA LEU A 113 1.823 4.784 9.754 1.00 0.00 C ATOM 1752 C LEU A 113 1.435 5.188 8.328 1.00 0.00 C ATOM 1753 O LEU A 113 1.045 6.311 8.076 1.00 0.00 O ATOM 1754 CB LEU A 113 3.327 4.493 9.811 1.00 0.00 C ATOM 1755 CG LEU A 113 4.134 5.730 9.383 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.853 6.908 10.329 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.627 5.385 9.417 1.00 0.00 C ATOM 0 H LEU A 113 1.650 2.732 10.329 1.00 0.00 H new ATOM 0 HA LEU A 113 1.573 5.604 10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.608 4.201 10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.565 3.653 9.159 1.00 0.00 H new ATOM 0 HG LEU A 113 3.841 6.020 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.432 7.775 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.791 7.151 10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.137 6.634 11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.209 6.256 9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.910 5.093 10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.826 4.561 8.732 1.00 0.00 H new ATOM 1769 N MET A 114 1.562 4.291 7.387 1.00 0.00 N ATOM 1770 CA MET A 114 1.225 4.642 5.977 1.00 0.00 C ATOM 1771 C MET A 114 -0.252 5.038 5.882 1.00 0.00 C ATOM 1772 O MET A 114 -0.623 5.903 5.115 1.00 0.00 O ATOM 1773 CB MET A 114 1.532 3.446 5.058 1.00 0.00 C ATOM 1774 CG MET A 114 0.441 2.378 5.177 1.00 0.00 C ATOM 1775 SD MET A 114 1.092 0.780 4.617 1.00 0.00 S ATOM 1776 CE MET A 114 1.213 1.161 2.853 1.00 0.00 C ATOM 0 H MET A 114 1.883 3.334 7.533 1.00 0.00 H new ATOM 0 HA MET A 114 1.830 5.489 5.655 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.605 3.785 4.025 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.498 3.017 5.322 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.103 2.303 6.210 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.425 2.660 4.578 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.410 0.245 2.296 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.276 1.600 2.510 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.026 1.868 2.688 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.100 4.417 6.651 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.540 4.783 6.586 1.00 0.00 C ATOM 1788 C GLU A 115 -2.726 6.233 7.059 1.00 0.00 C ATOM 1789 O GLU A 115 -3.387 7.028 6.430 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.355 3.840 7.481 1.00 0.00 C ATOM 1791 CG GLU A 115 -3.579 2.513 6.755 1.00 0.01 C ATOM 1792 CD GLU A 115 -4.140 1.484 7.735 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.203 1.789 8.915 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -4.493 0.403 7.291 1.00 0.00 O ATOM 0 H GLU A 115 -0.862 3.680 7.315 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.888 4.692 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.829 3.668 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.313 4.296 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.270 2.653 5.924 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -2.640 2.154 6.333 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.147 6.595 8.160 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.316 7.993 8.634 1.00 0.00 C ATOM 1803 C LYS A 116 -1.560 8.946 7.711 1.00 0.01 C ATOM 1804 O LYS A 116 -1.994 10.051 7.454 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.787 8.119 10.062 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.724 7.368 11.008 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.212 7.481 12.443 1.00 0.00 C ATOM 1808 CE LYS A 116 -3.157 6.725 13.381 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.514 7.341 13.324 1.00 0.00 N ATOM 0 H LYS A 116 -1.570 5.994 8.749 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.375 8.253 8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.779 7.710 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.724 9.169 10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.731 7.779 10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.786 6.320 10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.205 7.070 12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.151 8.529 12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.210 5.675 13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.775 6.756 14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.053 7.074 14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.424 8.376 13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.013 7.003 12.476 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.425 8.538 7.222 1.00 0.00 N ATOM 1824 CA ASP A 117 0.367 9.430 6.331 1.00 0.00 C ATOM 1825 C ASP A 117 -0.114 9.342 4.876 1.00 0.00 C ATOM 1826 O ASP A 117 -0.244 10.343 4.199 1.00 0.00 O ATOM 1827 CB ASP A 117 1.839 9.016 6.393 1.00 0.00 C ATOM 1828 CG ASP A 117 2.692 10.057 5.665 1.00 0.00 C ATOM 1829 OD1 ASP A 117 2.140 10.780 4.850 1.00 0.00 O ATOM 1830 OD2 ASP A 117 3.879 10.115 5.937 1.00 0.00 O ATOM 0 H ASP A 117 -0.010 7.624 7.401 1.00 0.00 H new ATOM 0 HA ASP A 117 0.238 10.457 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 117 2.160 8.929 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.972 8.036 5.935 1.00 0.00 H new ATOM 1835 N SER A 118 -0.326 8.156 4.366 1.00 0.00 N ATOM 1836 CA SER A 118 -0.735 8.021 2.931 1.00 0.00 C ATOM 1837 C SER A 118 -2.257 8.071 2.721 1.00 0.00 C ATOM 1838 O SER A 118 -2.741 8.888 1.974 1.00 0.01 O ATOM 1839 CB SER A 118 -0.206 6.699 2.386 1.00 0.00 C ATOM 1840 OG SER A 118 -1.059 5.639 2.804 1.00 0.00 O ATOM 0 H SER A 118 -0.235 7.278 4.876 1.00 0.00 H new ATOM 0 HA SER A 118 -0.311 8.873 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.159 6.735 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.809 6.526 2.743 1.00 0.00 H new ATOM 0 HG SER A 118 -0.959 5.500 3.769 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.018 7.192 3.325 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.501 7.199 3.067 1.00 0.00 C ATOM 1848 C TYR A 119 -5.064 8.618 3.166 1.00 0.01 C ATOM 1849 O TYR A 119 -5.772 9.072 2.289 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.223 6.291 4.094 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.726 5.028 3.437 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.867 4.265 2.642 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.050 4.624 3.629 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.336 3.097 2.036 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.516 3.459 3.025 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.658 2.695 2.226 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.116 1.549 1.619 1.00 0.00 O ATOM 0 H TYR A 119 -2.689 6.479 3.976 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.671 6.821 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.540 6.037 4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.058 6.832 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.843 4.577 2.496 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.711 5.215 4.245 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.675 2.505 1.420 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.539 3.145 3.173 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.055 1.667 1.363 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.778 9.317 4.218 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.332 10.688 4.342 1.00 0.01 C ATOM 1869 C ARG A 120 -4.841 11.530 3.169 1.00 0.00 C ATOM 1870 O ARG A 120 -5.600 12.253 2.554 1.00 0.00 O ATOM 1871 CB ARG A 120 -4.867 11.296 5.665 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.575 10.570 6.813 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.088 11.111 8.156 1.00 0.00 C ATOM 1874 NE ARG A 120 -5.737 10.344 9.255 1.00 0.01 N ATOM 1875 CZ ARG A 120 -5.260 10.401 10.467 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -4.211 11.135 10.722 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -5.832 9.724 11.425 1.00 0.01 N ATOM 0 H ARG A 120 -4.191 9.005 4.992 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.422 10.660 4.328 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.786 11.200 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.096 12.361 5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.653 10.704 6.728 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.381 9.499 6.751 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -4.004 11.023 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.328 12.170 8.244 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.558 9.772 9.059 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -3.764 11.664 9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.838 11.179 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -6.652 9.151 11.225 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -5.459 9.768 12.373 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.590 11.423 2.831 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.073 12.200 1.674 1.00 0.01 C ATOM 1893 C ARG A 121 -3.636 11.598 0.379 1.00 0.01 C ATOM 1894 O ARG A 121 -3.996 12.305 -0.540 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.546 12.151 1.649 1.00 0.01 C ATOM 1896 CG ARG A 121 -0.987 12.954 2.823 1.00 0.00 C ATOM 1897 CD ARG A 121 0.542 12.896 2.783 1.00 0.00 C ATOM 1898 NE ARG A 121 1.113 13.484 4.040 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.852 14.711 4.412 1.00 0.01 C ATOM 1900 NH1 ARG A 121 0.205 15.526 3.622 1.00 0.00 N ATOM 1901 NH2 ARG A 121 1.286 15.142 5.562 1.00 0.01 N ATOM 0 H ARG A 121 -2.905 10.834 3.303 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.386 13.240 1.764 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.204 11.118 1.707 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.175 12.557 0.708 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.326 13.988 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.355 12.548 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.872 11.863 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.912 13.443 1.916 1.00 0.00 H new ATOM 0 HE ARG A 121 1.723 12.910 4.622 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.103 15.208 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.008 16.480 3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.826 14.524 6.167 1.00 0.01 H new ATOM 0 HH22 ARG A 121 1.086 16.098 5.857 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.707 10.292 0.301 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.232 9.629 -0.923 1.00 0.01 C ATOM 1917 C PHE A 122 -5.651 10.135 -1.197 1.00 0.01 C ATOM 1918 O PHE A 122 -5.976 10.537 -2.292 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.265 8.102 -0.681 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.900 7.361 -1.939 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -4.885 6.985 -2.859 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.563 7.047 -2.173 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -4.524 6.293 -4.021 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -2.199 6.355 -3.332 1.00 0.01 C ATOM 1925 CZ PHE A 122 -3.179 5.977 -4.257 1.00 0.00 C ATOM 0 H PHE A 122 -3.420 9.654 1.043 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.596 9.855 -1.779 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.571 7.839 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.259 7.802 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.921 7.228 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.807 7.338 -1.459 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -5.281 6.003 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.162 6.112 -3.513 1.00 0.01 H new ATOM 0 HZ PHE A 122 -2.899 5.442 -5.152 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.493 10.115 -0.205 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.889 10.590 -0.406 1.00 0.00 C ATOM 1937 C LEU A 123 -7.853 12.050 -0.845 1.00 0.01 C ATOM 1938 O LEU A 123 -8.604 12.479 -1.699 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.657 10.482 0.914 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.806 9.009 1.325 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.357 8.943 2.753 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.761 8.275 0.363 1.00 0.01 C ATOM 0 H LEU A 123 -6.276 9.790 0.737 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.381 9.982 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.132 11.033 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.641 10.939 0.808 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.831 8.523 1.280 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.466 7.901 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -8.669 9.446 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.329 9.435 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.855 7.233 0.669 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.741 8.751 0.390 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.363 8.321 -0.651 1.00 0.01 H new ATOM 1954 N LYS A 124 -6.979 12.815 -0.258 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.873 14.254 -0.620 1.00 0.01 C ATOM 1956 C LYS A 124 -5.996 14.416 -1.865 1.00 0.01 C ATOM 1957 O LYS A 124 -5.947 15.470 -2.468 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.239 15.008 0.547 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.180 14.958 1.753 1.00 0.01 C ATOM 1960 CD LYS A 124 -6.549 15.713 2.922 1.00 0.01 C ATOM 1961 CE LYS A 124 -7.488 15.667 4.132 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.452 14.309 4.749 1.00 0.01 N ATOM 0 H LYS A 124 -6.328 12.503 0.463 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.866 14.652 -0.831 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.277 14.563 0.803 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.046 16.043 0.264 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.142 15.402 1.496 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.372 13.923 2.036 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -5.587 15.268 3.178 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.356 16.748 2.638 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.189 16.417 4.864 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.505 15.910 3.824 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -7.953 14.328 5.660 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -7.914 13.627 4.114 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -6.464 14.024 4.903 1.00 0.01 H new ATOM 1976 N SER A 125 -5.297 13.385 -2.252 1.00 0.00 N ATOM 1977 CA SER A 125 -4.411 13.491 -3.446 1.00 0.01 C ATOM 1978 C SER A 125 -5.250 13.598 -4.720 1.00 0.01 C ATOM 1979 O SER A 125 -6.352 13.091 -4.803 1.00 0.01 O ATOM 1980 CB SER A 125 -3.516 12.257 -3.536 1.00 0.01 C ATOM 1981 OG SER A 125 -2.579 12.282 -2.468 1.00 0.01 O ATOM 0 H SER A 125 -5.301 12.474 -1.794 1.00 0.00 H new ATOM 0 HA SER A 125 -3.796 14.385 -3.345 1.00 0.01 H new ATOM 0 HB2 SER A 125 -4.119 11.351 -3.485 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.995 12.240 -4.493 1.00 0.01 H new ATOM 0 HG SER A 125 -3.009 12.640 -1.664 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.724 14.263 -5.710 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.462 14.428 -6.993 1.00 0.01 C ATOM 1989 C ARG A 126 -5.758 13.057 -7.609 1.00 0.00 C ATOM 1990 O ARG A 126 -6.774 12.861 -8.246 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.603 15.238 -7.968 1.00 0.01 C ATOM 1992 CG ARG A 126 -4.513 16.690 -7.490 1.00 0.01 C ATOM 1993 CD ARG A 126 -3.474 17.432 -8.334 1.00 0.01 C ATOM 1994 NE ARG A 126 -3.814 17.275 -9.776 1.00 0.00 N ATOM 1995 CZ ARG A 126 -3.209 18.004 -10.673 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -2.288 18.852 -10.312 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -3.521 17.882 -11.935 1.00 0.01 N ATOM 0 H ARG A 126 -3.805 14.704 -5.685 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.401 14.947 -6.800 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.605 14.804 -8.036 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -5.036 15.200 -8.968 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -5.485 17.176 -7.578 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -4.234 16.722 -6.437 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -3.456 18.488 -8.065 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.478 17.036 -8.137 1.00 0.01 H new ATOM 0 HE ARG A 126 -4.520 16.597 -10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.039 18.946 -9.327 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -1.816 19.421 -11.014 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -4.239 17.216 -12.221 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -3.047 18.453 -12.635 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.872 12.113 -7.452 1.00 0.01 N ATOM 2012 CA PHE A 127 -5.107 10.775 -8.062 1.00 0.01 C ATOM 2013 C PHE A 127 -6.394 10.149 -7.518 1.00 0.01 C ATOM 2014 O PHE A 127 -7.235 9.699 -8.265 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.936 9.851 -7.731 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.703 10.298 -8.478 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.437 9.790 -9.754 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.826 11.221 -7.895 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.292 10.203 -10.447 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.681 11.634 -8.587 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.415 11.125 -9.863 1.00 0.00 C ATOM 0 H PHE A 127 -4.000 12.209 -6.931 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.199 10.901 -9.141 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.745 9.861 -6.658 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.184 8.824 -8.001 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.114 9.080 -10.205 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -2.033 11.615 -6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.086 9.810 -11.432 1.00 0.01 H new ATOM 0 HE2 PHE A 127 -0.004 12.345 -8.136 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.468 11.444 -10.398 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.568 10.112 -6.227 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.812 9.502 -5.683 1.00 0.01 C ATOM 2033 C TYR A 128 -9.022 10.267 -6.211 1.00 0.01 C ATOM 2034 O TYR A 128 -9.969 9.686 -6.705 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.789 9.549 -4.156 1.00 0.00 C ATOM 2036 CG TYR A 128 -9.040 8.899 -3.605 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.154 7.503 -3.592 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.080 9.690 -3.098 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.308 6.897 -3.074 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.231 9.085 -2.580 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.347 7.689 -2.567 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.484 7.094 -2.058 1.00 0.01 O ATOM 0 H TYR A 128 -5.913 10.472 -5.533 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.876 8.461 -6.001 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.905 9.034 -3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.725 10.582 -3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.353 6.893 -3.981 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.993 10.766 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.396 5.821 -3.066 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -12.031 9.696 -2.189 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.104 7.786 -1.747 1.00 0.01 H new ATOM 2052 N LEU A 129 -9.002 11.566 -6.110 1.00 0.01 N ATOM 2053 CA LEU A 129 -10.155 12.367 -6.603 1.00 0.01 C ATOM 2054 C LEU A 129 -10.349 12.114 -8.103 1.00 0.01 C ATOM 2055 O LEU A 129 -11.432 11.794 -8.550 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.881 13.852 -6.354 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.730 14.106 -4.845 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -9.288 15.556 -4.617 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -11.067 13.849 -4.123 1.00 0.01 C ATOM 0 H LEU A 129 -8.237 12.107 -5.707 1.00 0.01 H new ATOM 0 HA LEU A 129 -11.061 12.075 -6.073 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.974 14.157 -6.876 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.697 14.454 -6.754 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.980 13.426 -4.442 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -9.180 15.740 -3.548 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -8.333 15.727 -5.113 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -10.037 16.233 -5.028 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.945 14.033 -3.056 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.830 14.518 -4.522 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.373 12.815 -4.281 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.306 12.242 -8.882 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.432 11.993 -10.349 1.00 0.91 C ATOM 2073 C ASP A 130 -9.831 10.542 -10.598 1.00 1.05 C ATOM 2074 O ASP A 130 -10.680 10.251 -11.418 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.090 12.272 -11.032 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.822 13.777 -11.047 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.779 14.530 -10.979 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -6.663 14.150 -11.135 1.00 3.36 O ATOM 0 H ASP A 130 -8.373 12.508 -8.566 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.198 12.653 -10.758 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.288 11.755 -10.504 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.102 11.885 -12.051 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.221 9.627 -9.903 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.561 8.196 -10.105 1.00 1.68 C ATOM 2085 C LEU A 131 -10.967 7.933 -9.556 1.00 2.00 C ATOM 2086 O LEU A 131 -11.664 7.043 -10.002 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.532 7.324 -9.379 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.177 7.413 -10.098 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.116 6.684 -9.264 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.271 6.792 -11.512 1.00 3.54 C ATOM 0 H LEU A 131 -8.501 9.809 -9.203 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.542 7.951 -11.167 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.428 7.652 -8.345 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.873 6.289 -9.352 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.896 8.460 -10.208 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.152 6.744 -9.769 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.041 7.151 -8.282 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.400 5.638 -9.147 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.302 6.864 -12.006 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.560 5.744 -11.431 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.017 7.330 -12.097 1.00 3.54 H new ATOM 2102 N THR A 132 -11.389 8.707 -8.587 1.00 2.68 N ATOM 2103 CA THR A 132 -12.749 8.513 -7.999 1.00 3.30 C ATOM 2104 C THR A 132 -13.738 9.487 -8.637 1.00 3.72 C ATOM 2105 O THR A 132 -14.306 10.334 -7.978 1.00 3.94 O ATOM 2106 CB THR A 132 -12.693 8.767 -6.487 1.00 3.80 C ATOM 2107 OG1 THR A 132 -12.277 10.103 -6.257 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.702 7.799 -5.812 1.00 4.63 C ATOM 0 H THR A 132 -10.847 9.468 -8.177 1.00 2.68 H new ATOM 0 HA THR A 132 -13.077 7.491 -8.190 1.00 3.30 H new ATOM 0 HB THR A 132 -13.684 8.604 -6.063 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.328 10.113 -6.011 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.676 7.994 -4.740 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.021 6.771 -5.986 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.707 7.946 -6.232 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.961 9.362 -9.913 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.928 10.264 -10.598 1.00 4.82 C ATOM 2118 C ASN A 133 -16.349 9.799 -10.231 1.00 5.34 C ATOM 2119 O ASN A 133 -16.540 8.647 -9.899 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.713 10.144 -12.115 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.521 11.006 -12.540 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.393 12.140 -12.118 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -12.636 10.515 -13.366 1.00 6.48 N ATOM 0 H ASN A 133 -13.514 8.671 -10.515 1.00 4.23 H new ATOM 0 HA ASN A 133 -14.787 11.301 -10.294 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.535 9.103 -12.385 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.611 10.462 -12.645 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -11.839 11.082 -13.656 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -12.742 9.565 -13.721 1.00 6.48 H new TER 2130 ASN A 133