USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1014 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: B 20 SER OG : rot 180:sc=-0.00227 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -160:sc= 0.0615 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 60:sc= 0.67 USER MOD Set 2.2: B 18 THR OG1 : rot 86:sc= 0.817 USER MOD Set 3.1: B 6 SER OG : rot 180:sc=-0.00239 USER MOD Set 3.2: B 9 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 75 GLN :FLIP amide:sc= -2.01 F(o=-7.9!,f=-2.7) USER MOD Set 4.2: A 88 LYS NZ :NH3+ 139:sc= -0.715 (180deg=0) USER MOD Set 5.1: A 45 HIS : no HE2:sc= -5.36! C(o=-7.3!,f=-22!) USER MOD Set 5.2: A 46 THR OG1 : rot 91:sc= 0.904 USER MOD Set 5.3: A 52 LYS NZ :NH3+ -123:sc= -2.89! (180deg=-1.46) USER MOD Set 6.1: A 19 SER OG : rot 80:sc= -0.314 USER MOD Set 6.2: A 22 HIS :FLIP no HD1:sc= -1.03 F(o=-6.8,f=-4.5) USER MOD Set 6.3: A 26 CYS SG : rot 157:sc= 0.00558 USER MOD Set 6.4: A 31 CYS SG : rot 171:sc= -2.7! USER MOD Set 6.5: A 36 CYS SG : rot 149:sc= -0.43! USER MOD Single : A 1 ALA N :NH3+ 166:sc= -0.0195 (180deg=-0.241) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 4 SER OG : rot 180:sc= -1.14! USER MOD Single : A 8 SER OG : rot 130:sc= -0.595 USER MOD Single : A 14 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.3) USER MOD Single : A 18 GLN : amide:sc=-0.00503 K(o=-0.005,f=-1.4!) USER MOD Single : A 25 GLN : amide:sc= -3.5 K(o=-3.5,f=-8.9!) USER MOD Single : A 28 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.626 K(o=0.63,f=-1.5!) USER MOD Single : A 38 LYS NZ :NH3+ -117:sc= -0.116 (180deg=-7.03!) USER MOD Single : A 39 MET CE :methyl -160:sc= -0.0723 (180deg=-1.18) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= -2.91! (180deg=-2.91!) USER MOD Single : A 44 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ -108:sc= -3.02! (180deg=-7.82!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.291 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 86:sc= 0.566 USER MOD Single : A 54 ASN : amide:sc=-0.00452 K(o=-0.0045,f=-1.2) USER MOD Single : A 57 CYS SG : rot 91:sc= -4.08 USER MOD Single : A 60 CYS SG : rot 50:sc= -3.84! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.0672 K(o=-0.067,f=-2.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.35 K(o=-0.35,f=-1.1) USER MOD Single : A 74 CYS SG : rot -86:sc= 1.13 USER MOD Single : A 77 ASN : amide:sc= -3.46! C(o=-3.5!,f=-5.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot 180:sc= -1.68 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.0517 F(o=-1.6!,f=-0.052) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -156:sc= -0.106 (180deg=-0.786) USER MOD Single : B 1 MET N :NH3+ -164:sc= -0.0148 (180deg=-0.304) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 15 SER OG : rot 103:sc= -0.221! USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 29 ASN : amide:sc= -0.667 K(o=-0.67,f=-4.5!) USER MOD Single : B 30 ASN :FLIP amide:sc= -4.91! C(o=-5.5!,f=-4.9!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0.00514 USER MOD Single : B 38 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.899 -2.765 19.910 1.00 0.00 N ATOM 2 CA ALA A 1 -17.739 -3.543 19.392 1.00 0.00 C ATOM 3 C ALA A 1 -17.549 -3.241 17.909 1.00 0.00 C ATOM 4 O ALA A 1 -17.207 -4.126 17.124 1.00 0.00 O ATOM 5 CB ALA A 1 -17.997 -5.037 19.593 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.179 -3.137 20.840 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.632 -1.764 20.004 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.697 -2.849 19.248 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.836 -3.261 19.933 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.149 -5.607 19.214 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.128 -5.244 20.655 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.899 -5.326 19.053 1.00 0.00 H new ATOM 13 N THR A 2 -17.775 -1.988 17.535 1.00 0.00 N ATOM 14 CA THR A 2 -17.627 -1.574 16.145 1.00 0.00 C ATOM 15 C THR A 2 -16.167 -1.673 15.712 1.00 0.00 C ATOM 16 O THR A 2 -15.871 -1.904 14.540 1.00 0.00 O ATOM 17 CB THR A 2 -18.120 -0.136 15.968 1.00 0.00 C ATOM 18 OG1 THR A 2 -17.378 0.725 16.821 1.00 0.00 O ATOM 19 CG2 THR A 2 -19.604 -0.058 16.328 1.00 0.00 C ATOM 0 H THR A 2 -18.060 -1.244 18.171 1.00 0.00 H new ATOM 0 HA THR A 2 -18.226 -2.238 15.522 1.00 0.00 H new ATOM 0 HB THR A 2 -17.982 0.172 14.932 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.691 1.647 16.708 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.956 0.966 16.202 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.172 -0.720 15.674 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.744 -0.365 17.365 1.00 0.00 H new ATOM 27 N GLN A 3 -15.257 -1.496 16.669 1.00 0.00 N ATOM 28 CA GLN A 3 -13.824 -1.565 16.385 1.00 0.00 C ATOM 29 C GLN A 3 -13.292 -2.972 16.646 1.00 0.00 C ATOM 30 O GLN A 3 -13.619 -3.597 17.654 1.00 0.00 O ATOM 31 CB GLN A 3 -13.071 -0.565 17.263 1.00 0.00 C ATOM 32 CG GLN A 3 -13.446 0.860 16.854 1.00 0.00 C ATOM 33 CD GLN A 3 -12.736 1.865 17.754 1.00 0.00 C ATOM 34 OE1 GLN A 3 -11.939 1.479 18.609 1.00 0.00 O ATOM 35 NE2 GLN A 3 -12.977 3.140 17.612 1.00 0.00 N ATOM 0 H GLN A 3 -15.485 -1.304 17.644 1.00 0.00 H new ATOM 0 HA GLN A 3 -13.669 -1.319 15.335 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.317 -0.730 18.312 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.996 -0.713 17.160 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.170 1.033 15.814 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.525 0.995 16.925 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.638 3.458 16.903 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.505 3.818 18.210 1.00 0.00 H new ATOM 44 N SER A 4 -12.473 -3.460 15.721 1.00 0.00 N ATOM 45 CA SER A 4 -11.893 -4.794 15.837 1.00 0.00 C ATOM 46 C SER A 4 -10.729 -4.923 14.860 1.00 0.00 C ATOM 47 O SER A 4 -10.392 -3.963 14.165 1.00 0.00 O ATOM 48 CB SER A 4 -12.979 -5.851 15.553 1.00 0.00 C ATOM 49 OG SER A 4 -14.258 -5.247 15.687 1.00 0.00 O ATOM 0 H SER A 4 -12.195 -2.952 14.881 1.00 0.00 H new ATOM 0 HA SER A 4 -11.515 -4.955 16.847 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.857 -6.256 14.548 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.882 -6.686 16.247 1.00 0.00 H new ATOM 0 HG SER A 4 -14.955 -5.912 15.507 1.00 0.00 H new ATOM 55 N PRO A 5 -10.118 -6.074 14.772 1.00 0.00 N ATOM 56 CA PRO A 5 -8.991 -6.287 13.833 1.00 0.00 C ATOM 57 C PRO A 5 -9.451 -5.938 12.440 1.00 0.00 C ATOM 58 O PRO A 5 -8.698 -5.410 11.629 1.00 0.00 O ATOM 59 CB PRO A 5 -8.663 -7.778 13.985 1.00 0.00 C ATOM 60 CG PRO A 5 -9.127 -8.090 15.360 1.00 0.00 C ATOM 61 CD PRO A 5 -10.417 -7.293 15.524 1.00 0.00 C ATOM 0 HA PRO A 5 -8.113 -5.672 14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.180 -8.382 13.239 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.596 -7.970 13.867 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.303 -9.158 15.486 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.385 -7.800 16.104 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.278 -7.823 15.117 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.637 -7.083 16.571 1.00 0.00 H new ATOM 69 N GLY A 6 -10.724 -6.205 12.199 1.00 0.00 N ATOM 70 CA GLY A 6 -11.321 -5.891 10.923 1.00 0.00 C ATOM 71 C GLY A 6 -11.180 -4.397 10.678 1.00 0.00 C ATOM 72 O GLY A 6 -10.982 -3.949 9.550 1.00 0.00 O ATOM 0 H GLY A 6 -11.358 -6.637 12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.832 -6.453 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.372 -6.178 10.916 1.00 0.00 H new ATOM 76 N ASP A 7 -11.240 -3.636 11.768 1.00 0.00 N ATOM 77 CA ASP A 7 -11.082 -2.190 11.698 1.00 0.00 C ATOM 78 C ASP A 7 -9.600 -1.856 11.648 1.00 0.00 C ATOM 79 O ASP A 7 -9.193 -0.844 11.079 1.00 0.00 O ATOM 80 CB ASP A 7 -11.725 -1.521 12.914 1.00 0.00 C ATOM 81 CG ASP A 7 -11.783 -0.010 12.709 1.00 0.00 C ATOM 82 OD1 ASP A 7 -11.573 0.423 11.589 1.00 0.00 O ATOM 83 OD2 ASP A 7 -12.034 0.689 13.676 1.00 0.00 O ATOM 0 H ASP A 7 -11.397 -3.998 12.708 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.576 -1.818 10.801 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.730 -1.914 13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.152 -1.753 13.812 1.00 0.00 H new ATOM 88 N SER A 8 -8.800 -2.744 12.225 1.00 0.00 N ATOM 89 CA SER A 8 -7.358 -2.573 12.225 1.00 0.00 C ATOM 90 C SER A 8 -6.832 -2.839 10.826 1.00 0.00 C ATOM 91 O SER A 8 -5.898 -2.190 10.360 1.00 0.00 O ATOM 92 CB SER A 8 -6.702 -3.520 13.236 1.00 0.00 C ATOM 93 OG SER A 8 -5.398 -3.045 13.544 1.00 0.00 O ATOM 0 H SER A 8 -9.127 -3.587 12.697 1.00 0.00 H new ATOM 0 HA SER A 8 -7.113 -1.552 12.519 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.305 -3.577 14.142 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.647 -4.528 12.825 1.00 0.00 H new ATOM 0 HG SER A 8 -5.285 -3.008 14.517 1.00 0.00 H new ATOM 99 N ARG A 9 -7.471 -3.790 10.157 1.00 0.00 N ATOM 100 CA ARG A 9 -7.106 -4.131 8.796 1.00 0.00 C ATOM 101 C ARG A 9 -7.484 -2.982 7.885 1.00 0.00 C ATOM 102 O ARG A 9 -6.760 -2.639 6.950 1.00 0.00 O ATOM 103 CB ARG A 9 -7.800 -5.427 8.357 1.00 0.00 C ATOM 104 CG ARG A 9 -7.182 -6.619 9.090 1.00 0.00 C ATOM 105 CD ARG A 9 -7.883 -7.903 8.648 1.00 0.00 C ATOM 106 NE ARG A 9 -7.323 -9.053 9.348 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.540 -10.292 8.918 1.00 0.00 C ATOM 108 NH1 ARG A 9 -8.248 -10.496 7.841 1.00 0.00 N ATOM 109 NH2 ARG A 9 -7.041 -11.305 9.573 1.00 0.00 N ATOM 0 H ARG A 9 -8.244 -4.336 10.538 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.031 -4.299 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.867 -5.370 8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.698 -5.558 7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.115 -6.680 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.282 -6.489 10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.951 -7.830 8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.771 -8.034 7.572 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.755 -8.904 10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.636 -9.704 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.414 -11.447 7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.486 -11.145 10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.207 -12.256 9.244 1.00 0.00 H new ATOM 123 N ARG A 10 -8.612 -2.372 8.201 1.00 0.00 N ATOM 124 CA ARG A 10 -9.086 -1.217 7.445 1.00 0.00 C ATOM 125 C ARG A 10 -8.199 -0.018 7.737 1.00 0.00 C ATOM 126 O ARG A 10 -7.921 0.805 6.866 1.00 0.00 O ATOM 127 CB ARG A 10 -10.545 -0.892 7.777 1.00 0.00 C ATOM 128 CG ARG A 10 -11.479 -1.954 7.173 1.00 0.00 C ATOM 129 CD ARG A 10 -11.479 -1.873 5.636 1.00 0.00 C ATOM 130 NE ARG A 10 -12.759 -2.346 5.112 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.999 -3.642 4.942 1.00 0.00 C ATOM 132 NH1 ARG A 10 -12.085 -4.522 5.244 1.00 0.00 N ATOM 133 NH2 ARG A 10 -14.152 -4.036 4.472 1.00 0.00 N ATOM 0 H ARG A 10 -9.218 -2.652 8.972 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.035 -1.457 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.679 -0.853 8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.803 0.093 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.160 -2.947 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.492 -1.810 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.303 -0.845 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.666 -2.476 5.232 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.482 -1.668 4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.184 -4.216 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.271 -5.516 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.868 -3.349 4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.337 -5.031 4.341 1.00 0.00 H new ATOM 147 N LEU A 11 -7.743 0.058 8.975 1.00 0.00 N ATOM 148 CA LEU A 11 -6.861 1.134 9.388 1.00 0.00 C ATOM 149 C LEU A 11 -5.461 0.840 8.870 1.00 0.00 C ATOM 150 O LEU A 11 -4.679 1.752 8.604 1.00 0.00 O ATOM 151 CB LEU A 11 -6.839 1.247 10.916 1.00 0.00 C ATOM 152 CG LEU A 11 -8.123 1.951 11.421 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.422 1.550 12.875 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.952 3.474 11.359 1.00 0.00 C ATOM 0 H LEU A 11 -7.969 -0.612 9.710 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.220 2.079 8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.762 0.254 11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.960 1.808 11.233 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.949 1.644 10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.327 2.054 13.213 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.565 0.471 12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.586 1.840 13.512 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.861 3.957 11.717 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.112 3.772 11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.761 3.777 10.330 1.00 0.00 H new ATOM 166 N SER A 12 -5.158 -0.450 8.718 1.00 0.00 N ATOM 167 CA SER A 12 -3.853 -0.851 8.218 1.00 0.00 C ATOM 168 C SER A 12 -3.682 -0.349 6.798 1.00 0.00 C ATOM 169 O SER A 12 -2.659 0.250 6.460 1.00 0.00 O ATOM 170 CB SER A 12 -3.712 -2.372 8.256 1.00 0.00 C ATOM 171 OG SER A 12 -2.444 -2.740 7.727 1.00 0.00 O ATOM 0 H SER A 12 -5.791 -1.221 8.932 1.00 0.00 H new ATOM 0 HA SER A 12 -3.080 -0.417 8.852 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.810 -2.732 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.509 -2.837 7.677 1.00 0.00 H new ATOM 0 HG SER A 12 -1.734 -2.331 8.265 1.00 0.00 H new ATOM 177 N ILE A 13 -4.692 -0.580 5.961 1.00 0.00 N ATOM 178 CA ILE A 13 -4.616 -0.122 4.587 1.00 0.00 C ATOM 179 C ILE A 13 -4.742 1.402 4.512 1.00 0.00 C ATOM 180 O ILE A 13 -4.237 2.014 3.581 1.00 0.00 O ATOM 181 CB ILE A 13 -5.692 -0.775 3.715 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.079 -0.345 4.188 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.575 -2.302 3.781 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.151 -1.051 3.358 1.00 0.00 C ATOM 0 H ILE A 13 -5.551 -1.071 6.208 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.639 -0.417 4.203 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.548 -0.453 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.205 -0.587 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.186 0.736 4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.346 -2.753 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.592 -2.607 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.703 -2.633 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.139 -0.741 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.031 -0.786 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.049 -2.130 3.474 1.00 0.00 H new ATOM 196 N GLN A 14 -5.421 2.008 5.493 1.00 0.00 N ATOM 197 CA GLN A 14 -5.601 3.438 5.522 1.00 0.00 C ATOM 198 C GLN A 14 -4.245 4.128 5.609 1.00 0.00 C ATOM 199 O GLN A 14 -3.979 5.094 4.900 1.00 0.00 O ATOM 200 CB GLN A 14 -6.443 3.806 6.740 1.00 0.00 C ATOM 201 CG GLN A 14 -6.809 5.276 6.641 1.00 0.00 C ATOM 202 CD GLN A 14 -7.650 5.700 7.841 1.00 0.00 C ATOM 203 OE1 GLN A 14 -7.196 5.607 8.980 1.00 0.00 O ATOM 204 NE2 GLN A 14 -8.854 6.168 7.650 1.00 0.00 N ATOM 0 H GLN A 14 -5.852 1.514 6.275 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.105 3.763 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.343 3.193 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.887 3.614 7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.903 5.880 6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.362 5.458 5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.228 6.244 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.421 6.458 8.447 1.00 0.00 H new ATOM 213 N ARG A 15 -3.385 3.596 6.471 1.00 0.00 N ATOM 214 CA ARG A 15 -2.043 4.123 6.647 1.00 0.00 C ATOM 215 C ARG A 15 -1.213 3.823 5.415 1.00 0.00 C ATOM 216 O ARG A 15 -0.431 4.659 4.957 1.00 0.00 O ATOM 217 CB ARG A 15 -1.390 3.518 7.897 1.00 0.00 C ATOM 218 CG ARG A 15 -2.030 4.125 9.148 1.00 0.00 C ATOM 219 CD ARG A 15 -1.403 3.510 10.401 1.00 0.00 C ATOM 220 NE ARG A 15 -1.944 4.144 11.598 1.00 0.00 N ATOM 221 CZ ARG A 15 -1.582 3.747 12.813 1.00 0.00 C ATOM 222 NH1 ARG A 15 -0.735 2.765 12.955 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.074 4.341 13.866 1.00 0.00 N ATOM 0 H ARG A 15 -3.600 2.793 7.062 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.099 5.203 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.516 2.435 7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.318 3.714 7.892 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.888 5.206 9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.105 3.944 9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.601 2.438 10.427 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.320 3.634 10.373 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.614 4.907 11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.350 2.301 12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.458 2.461 13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.736 5.109 13.756 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.797 4.037 14.799 1.00 0.00 H new ATOM 237 N ALA A 16 -1.416 2.638 4.854 1.00 0.00 N ATOM 238 CA ALA A 16 -0.706 2.271 3.648 1.00 0.00 C ATOM 239 C ALA A 16 -1.221 3.153 2.532 1.00 0.00 C ATOM 240 O ALA A 16 -0.459 3.636 1.705 1.00 0.00 O ATOM 241 CB ALA A 16 -0.935 0.797 3.306 1.00 0.00 C ATOM 0 H ALA A 16 -2.056 1.929 5.211 1.00 0.00 H new ATOM 0 HA ALA A 16 0.366 2.409 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.391 0.546 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.578 0.174 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.000 0.620 3.153 1.00 0.00 H new ATOM 247 N ILE A 17 -2.533 3.375 2.557 1.00 0.00 N ATOM 248 CA ILE A 17 -3.186 4.225 1.584 1.00 0.00 C ATOM 249 C ILE A 17 -2.676 5.647 1.745 1.00 0.00 C ATOM 250 O ILE A 17 -2.310 6.293 0.776 1.00 0.00 O ATOM 251 CB ILE A 17 -4.704 4.162 1.828 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.282 2.828 1.248 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.436 5.400 1.242 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.111 3.069 -0.022 1.00 0.00 C ATOM 0 H ILE A 17 -3.163 2.971 3.250 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.970 3.891 0.569 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.877 4.179 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.463 2.145 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.904 2.344 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.505 5.316 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.052 6.306 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.265 5.449 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.494 2.118 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.946 3.731 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.483 3.529 -0.785 1.00 0.00 H new ATOM 266 N GLN A 18 -2.635 6.132 2.983 1.00 0.00 N ATOM 267 CA GLN A 18 -2.153 7.484 3.215 1.00 0.00 C ATOM 268 C GLN A 18 -0.800 7.673 2.543 1.00 0.00 C ATOM 269 O GLN A 18 -0.516 8.740 2.002 1.00 0.00 O ATOM 270 CB GLN A 18 -2.054 7.773 4.720 1.00 0.00 C ATOM 271 CG GLN A 18 -3.440 8.119 5.279 1.00 0.00 C ATOM 272 CD GLN A 18 -3.398 8.154 6.802 1.00 0.00 C ATOM 273 OE1 GLN A 18 -2.337 7.977 7.400 1.00 0.00 O ATOM 274 NE2 GLN A 18 -4.499 8.370 7.472 1.00 0.00 N ATOM 0 H GLN A 18 -2.922 5.623 3.819 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.863 8.189 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.649 6.905 5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.365 8.599 4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.765 9.086 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.170 7.382 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.378 8.517 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.480 8.392 8.492 1.00 0.00 H new ATOM 283 N SER A 19 0.025 6.627 2.542 1.00 0.00 N ATOM 284 CA SER A 19 1.331 6.714 1.893 1.00 0.00 C ATOM 285 C SER A 19 1.215 6.341 0.421 1.00 0.00 C ATOM 286 O SER A 19 1.824 6.977 -0.425 1.00 0.00 O ATOM 287 CB SER A 19 2.353 5.818 2.599 1.00 0.00 C ATOM 288 OG SER A 19 3.642 6.060 2.051 1.00 0.00 O ATOM 0 H SER A 19 -0.182 5.727 2.974 1.00 0.00 H new ATOM 0 HA SER A 19 1.682 7.744 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.355 6.022 3.670 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.083 4.769 2.475 1.00 0.00 H new ATOM 0 HG SER A 19 4.017 6.876 2.444 1.00 0.00 H new ATOM 294 N LEU A 20 0.423 5.328 0.101 1.00 0.00 N ATOM 295 CA LEU A 20 0.265 4.964 -1.305 1.00 0.00 C ATOM 296 C LEU A 20 -0.407 6.117 -2.060 1.00 0.00 C ATOM 297 O LEU A 20 0.084 6.554 -3.099 1.00 0.00 O ATOM 298 CB LEU A 20 -0.522 3.636 -1.404 1.00 0.00 C ATOM 299 CG LEU A 20 -1.448 3.554 -2.639 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.626 3.500 -3.934 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.292 2.283 -2.524 1.00 0.00 C ATOM 0 H LEU A 20 -0.104 4.760 0.765 1.00 0.00 H new ATOM 0 HA LEU A 20 1.235 4.799 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.184 2.807 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.121 3.511 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.083 4.439 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.299 3.443 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.013 4.398 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.018 2.621 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.953 2.206 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.637 1.413 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.888 2.323 -1.612 1.00 0.00 H new ATOM 313 N VAL A 21 -1.516 6.621 -1.515 1.00 0.00 N ATOM 314 CA VAL A 21 -2.221 7.737 -2.138 1.00 0.00 C ATOM 315 C VAL A 21 -1.334 8.990 -2.131 1.00 0.00 C ATOM 316 O VAL A 21 -1.392 9.791 -3.047 1.00 0.00 O ATOM 317 CB VAL A 21 -3.578 8.016 -1.431 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.038 9.470 -1.657 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.652 7.070 -1.988 1.00 0.00 C ATOM 0 H VAL A 21 -1.940 6.277 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.441 7.468 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.439 7.852 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.989 9.634 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.291 10.155 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.160 9.651 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.602 7.266 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.761 7.235 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.355 6.037 -1.808 1.00 0.00 H new ATOM 329 N HIS A 22 -0.540 9.190 -1.084 1.00 0.00 N ATOM 330 CA HIS A 22 0.312 10.375 -1.026 1.00 0.00 C ATOM 331 C HIS A 22 1.615 10.172 -1.795 1.00 0.00 C ATOM 332 O HIS A 22 2.044 11.039 -2.551 1.00 0.00 O ATOM 333 CB HIS A 22 0.613 10.738 0.426 1.00 0.00 C ATOM 334 CG HIS A 22 1.312 12.067 0.470 1.00 0.00 C ATOM 335 ND1 HIS A 22 2.492 12.467 1.049 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 0.785 13.195 -0.135 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 2.694 13.823 0.809 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 1.636 14.212 0.092 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.468 8.564 -0.282 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.230 11.194 -1.499 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.312 10.781 1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.237 9.970 0.883 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.141 13.249 -0.689 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.527 14.430 1.133 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.491 15.165 -0.243 1.00 0.00 H new ATOM 346 N ALA A 23 2.248 9.038 -1.568 1.00 0.00 N ATOM 347 CA ALA A 23 3.527 8.717 -2.205 1.00 0.00 C ATOM 348 C ALA A 23 3.417 8.409 -3.700 1.00 0.00 C ATOM 349 O ALA A 23 4.402 8.553 -4.425 1.00 0.00 O ATOM 350 CB ALA A 23 4.167 7.517 -1.508 1.00 0.00 C ATOM 0 H ALA A 23 1.900 8.312 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 23 4.141 9.612 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.118 7.283 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.338 7.755 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.502 6.656 -1.582 1.00 0.00 H new ATOM 356 N ALA A 24 2.252 7.966 -4.176 1.00 0.00 N ATOM 357 CA ALA A 24 2.119 7.638 -5.596 1.00 0.00 C ATOM 358 C ALA A 24 1.599 8.830 -6.355 1.00 0.00 C ATOM 359 O ALA A 24 1.456 8.795 -7.574 1.00 0.00 O ATOM 360 CB ALA A 24 1.150 6.475 -5.766 1.00 0.00 C ATOM 0 H ALA A 24 1.409 7.829 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 24 3.098 7.361 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.053 6.234 -6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.528 5.605 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.175 6.753 -5.367 1.00 0.00 H new ATOM 366 N GLN A 25 1.282 9.872 -5.608 1.00 0.00 N ATOM 367 CA GLN A 25 0.724 11.079 -6.163 1.00 0.00 C ATOM 368 C GLN A 25 1.543 12.295 -5.766 1.00 0.00 C ATOM 369 O GLN A 25 1.566 13.293 -6.486 1.00 0.00 O ATOM 370 CB GLN A 25 -0.698 11.164 -5.632 1.00 0.00 C ATOM 371 CG GLN A 25 -1.390 9.800 -5.847 1.00 0.00 C ATOM 372 CD GLN A 25 -2.905 9.981 -5.882 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.413 10.854 -6.587 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.659 9.207 -5.151 1.00 0.00 N ATOM 0 H GLN A 25 1.407 9.899 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 25 0.734 11.058 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.691 11.421 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.247 11.952 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.048 9.353 -6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.116 9.114 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.235 8.485 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.672 9.324 -5.162 1.00 0.00 H new ATOM 383 N CYS A 26 2.262 12.192 -4.655 1.00 0.00 N ATOM 384 CA CYS A 26 3.131 13.279 -4.228 1.00 0.00 C ATOM 385 C CYS A 26 4.553 12.909 -4.609 1.00 0.00 C ATOM 386 O CYS A 26 5.327 12.419 -3.787 1.00 0.00 O ATOM 387 CB CYS A 26 3.027 13.499 -2.715 1.00 0.00 C ATOM 388 SG CYS A 26 3.667 15.141 -2.304 1.00 0.00 S ATOM 0 H CYS A 26 2.261 11.378 -4.041 1.00 0.00 H new ATOM 0 HA CYS A 26 2.833 14.208 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.989 13.410 -2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.592 12.733 -2.185 1.00 0.00 H new ATOM 0 HG CYS A 26 3.161 15.533 -1.173 1.00 0.00 H new ATOM 394 N ARG A 27 4.876 13.135 -5.874 1.00 0.00 N ATOM 395 CA ARG A 27 6.193 12.813 -6.395 1.00 0.00 C ATOM 396 C ARG A 27 7.144 13.967 -6.091 1.00 0.00 C ATOM 397 O ARG A 27 7.783 14.535 -6.977 1.00 0.00 O ATOM 398 CB ARG A 27 6.070 12.543 -7.907 1.00 0.00 C ATOM 399 CG ARG A 27 7.420 12.100 -8.513 1.00 0.00 C ATOM 400 CD ARG A 27 7.651 10.603 -8.271 1.00 0.00 C ATOM 401 NE ARG A 27 8.890 10.180 -8.918 1.00 0.00 N ATOM 402 CZ ARG A 27 10.069 10.329 -8.319 1.00 0.00 C ATOM 403 NH1 ARG A 27 10.134 10.860 -7.128 1.00 0.00 N ATOM 404 NH2 ARG A 27 11.161 9.946 -8.922 1.00 0.00 N ATOM 0 H ARG A 27 4.240 13.542 -6.560 1.00 0.00 H new ATOM 0 HA ARG A 27 6.598 11.918 -5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.321 11.770 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.721 13.444 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.431 12.308 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.232 12.676 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.703 10.403 -7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.812 10.029 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 27 8.851 9.762 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.281 11.161 -6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.038 10.974 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.111 9.532 -9.853 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.064 10.060 -8.462 1.00 0.00 H new ATOM 418 N ASN A 28 7.208 14.323 -4.815 1.00 0.00 N ATOM 419 CA ASN A 28 8.068 15.413 -4.380 1.00 0.00 C ATOM 420 C ASN A 28 9.538 15.023 -4.514 1.00 0.00 C ATOM 421 O ASN A 28 10.364 15.833 -4.933 1.00 0.00 O ATOM 422 CB ASN A 28 7.767 15.766 -2.923 1.00 0.00 C ATOM 423 CG ASN A 28 8.637 16.939 -2.486 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.459 16.801 -1.582 1.00 0.00 O ATOM 425 ND2 ASN A 28 8.504 18.091 -3.085 1.00 0.00 N ATOM 0 H ASN A 28 6.678 13.875 -4.068 1.00 0.00 H new ATOM 0 HA ASN A 28 7.872 16.278 -5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.713 16.021 -2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.955 14.903 -2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.083 18.882 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.821 18.200 -3.834 1.00 0.00 H new ATOM 432 N ALA A 29 9.841 13.777 -4.128 1.00 0.00 N ATOM 433 CA ALA A 29 11.208 13.233 -4.164 1.00 0.00 C ATOM 434 C ALA A 29 11.875 13.385 -2.800 1.00 0.00 C ATOM 435 O ALA A 29 12.520 12.460 -2.306 1.00 0.00 O ATOM 436 CB ALA A 29 12.067 13.921 -5.237 1.00 0.00 C ATOM 0 H ALA A 29 9.146 13.116 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 29 11.131 12.176 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.069 13.491 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.613 13.772 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.129 14.988 -5.024 1.00 0.00 H new ATOM 442 N ASN A 30 11.719 14.564 -2.200 1.00 0.00 N ATOM 443 CA ASN A 30 12.311 14.844 -0.894 1.00 0.00 C ATOM 444 C ASN A 30 11.311 14.561 0.224 1.00 0.00 C ATOM 445 O ASN A 30 11.541 14.938 1.373 1.00 0.00 O ATOM 446 CB ASN A 30 12.741 16.309 -0.823 1.00 0.00 C ATOM 447 CG ASN A 30 13.925 16.551 -1.753 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.606 15.607 -2.151 1.00 0.00 O ATOM 449 ND2 ASN A 30 14.214 17.769 -2.123 1.00 0.00 N ATOM 0 H ASN A 30 11.188 15.339 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 30 13.178 14.197 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.909 16.955 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.013 16.567 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.006 17.939 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.648 18.550 -1.792 1.00 0.00 H new ATOM 456 N CYS A 31 10.194 13.912 -0.126 1.00 0.00 N ATOM 457 CA CYS A 31 9.145 13.590 0.850 1.00 0.00 C ATOM 458 C CYS A 31 9.745 13.318 2.233 1.00 0.00 C ATOM 459 O CYS A 31 10.606 12.451 2.383 1.00 0.00 O ATOM 460 CB CYS A 31 8.359 12.366 0.373 1.00 0.00 C ATOM 461 SG CYS A 31 6.738 12.347 1.176 1.00 0.00 S ATOM 0 H CYS A 31 9.993 13.600 -1.076 1.00 0.00 H new ATOM 0 HA CYS A 31 8.476 14.446 0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.241 12.395 -0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.906 11.453 0.610 1.00 0.00 H new ATOM 0 HG CYS A 31 5.995 11.429 0.632 1.00 0.00 H new ATOM 467 N SER A 32 9.308 14.081 3.235 1.00 0.00 N ATOM 468 CA SER A 32 9.834 13.931 4.587 1.00 0.00 C ATOM 469 C SER A 32 9.101 12.858 5.365 1.00 0.00 C ATOM 470 O SER A 32 9.278 12.746 6.576 1.00 0.00 O ATOM 471 CB SER A 32 9.720 15.243 5.342 1.00 0.00 C ATOM 472 OG SER A 32 8.371 15.687 5.321 1.00 0.00 O ATOM 0 H SER A 32 8.596 14.804 3.135 1.00 0.00 H new ATOM 0 HA SER A 32 10.879 13.637 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.055 15.113 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.368 15.993 4.888 1.00 0.00 H new ATOM 0 HG SER A 32 8.297 16.533 5.810 1.00 0.00 H new ATOM 478 N LEU A 33 8.293 12.061 4.677 1.00 0.00 N ATOM 479 CA LEU A 33 7.566 10.982 5.327 1.00 0.00 C ATOM 480 C LEU A 33 8.289 9.667 5.032 1.00 0.00 C ATOM 481 O LEU A 33 8.187 9.145 3.924 1.00 0.00 O ATOM 482 CB LEU A 33 6.119 10.941 4.800 1.00 0.00 C ATOM 483 CG LEU A 33 5.325 12.175 5.333 1.00 0.00 C ATOM 484 CD1 LEU A 33 4.536 12.845 4.200 1.00 0.00 C ATOM 485 CD2 LEU A 33 4.329 11.744 6.425 1.00 0.00 C ATOM 0 H LEU A 33 8.126 12.142 3.674 1.00 0.00 H new ATOM 0 HA LEU A 33 7.529 11.141 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.119 10.941 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.633 10.019 5.119 1.00 0.00 H new ATOM 0 HG LEU A 33 6.049 12.878 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.990 13.702 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.225 13.179 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.831 12.130 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.784 12.617 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.625 11.022 6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.872 11.288 7.253 1.00 0.00 H new ATOM 497 N PRO A 34 9.037 9.120 5.970 1.00 0.00 N ATOM 498 CA PRO A 34 9.778 7.860 5.720 1.00 0.00 C ATOM 499 C PRO A 34 8.894 6.839 5.022 1.00 0.00 C ATOM 500 O PRO A 34 9.367 6.030 4.227 1.00 0.00 O ATOM 501 CB PRO A 34 10.193 7.396 7.119 1.00 0.00 C ATOM 502 CG PRO A 34 10.318 8.656 7.910 1.00 0.00 C ATOM 503 CD PRO A 34 9.268 9.618 7.342 1.00 0.00 C ATOM 0 HA PRO A 34 10.636 7.992 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.449 6.728 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.136 6.849 7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.144 8.470 8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.320 9.075 7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.352 9.603 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.629 10.647 7.339 1.00 0.00 H new ATOM 511 N SER A 35 7.602 6.904 5.312 1.00 0.00 N ATOM 512 CA SER A 35 6.648 6.004 4.692 1.00 0.00 C ATOM 513 C SER A 35 6.592 6.247 3.191 1.00 0.00 C ATOM 514 O SER A 35 6.407 5.316 2.412 1.00 0.00 O ATOM 515 CB SER A 35 5.259 6.209 5.304 1.00 0.00 C ATOM 516 OG SER A 35 5.227 5.632 6.602 1.00 0.00 O ATOM 0 H SER A 35 7.195 7.568 5.970 1.00 0.00 H new ATOM 0 HA SER A 35 6.969 4.978 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.028 7.273 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.499 5.751 4.671 1.00 0.00 H new ATOM 0 HG SER A 35 4.340 5.763 6.997 1.00 0.00 H new ATOM 522 N CYS A 36 6.745 7.500 2.783 1.00 0.00 N ATOM 523 CA CYS A 36 6.702 7.812 1.361 1.00 0.00 C ATOM 524 C CYS A 36 7.935 7.268 0.644 1.00 0.00 C ATOM 525 O CYS A 36 7.817 6.546 -0.343 1.00 0.00 O ATOM 526 CB CYS A 36 6.600 9.323 1.160 1.00 0.00 C ATOM 527 SG CYS A 36 4.862 9.821 1.210 1.00 0.00 S ATOM 0 H CYS A 36 6.896 8.299 3.399 1.00 0.00 H new ATOM 0 HA CYS A 36 5.821 7.334 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.161 9.843 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.043 9.604 0.205 1.00 0.00 H new ATOM 0 HG CYS A 36 4.770 11.029 1.681 1.00 0.00 H new ATOM 533 N GLN A 37 9.109 7.630 1.138 1.00 0.00 N ATOM 534 CA GLN A 37 10.347 7.189 0.526 1.00 0.00 C ATOM 535 C GLN A 37 10.378 5.690 0.373 1.00 0.00 C ATOM 536 O GLN A 37 10.875 5.162 -0.623 1.00 0.00 O ATOM 537 CB GLN A 37 11.522 7.588 1.404 1.00 0.00 C ATOM 538 CG GLN A 37 11.585 9.113 1.504 1.00 0.00 C ATOM 539 CD GLN A 37 12.837 9.547 2.260 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.672 8.713 2.610 1.00 0.00 O ATOM 541 NE2 GLN A 37 13.018 10.811 2.533 1.00 0.00 N ATOM 0 H GLN A 37 9.228 8.225 1.958 1.00 0.00 H new ATOM 0 HA GLN A 37 10.413 7.657 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.413 7.151 2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.451 7.201 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.587 9.549 0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.697 9.487 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.325 11.500 2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.853 11.109 3.037 1.00 0.00 H new ATOM 550 N LYS A 38 9.856 5.004 1.371 1.00 0.00 N ATOM 551 CA LYS A 38 9.833 3.569 1.349 1.00 0.00 C ATOM 552 C LYS A 38 8.741 3.098 0.394 1.00 0.00 C ATOM 553 O LYS A 38 8.880 2.061 -0.253 1.00 0.00 O ATOM 554 CB LYS A 38 9.690 3.034 2.806 1.00 0.00 C ATOM 555 CG LYS A 38 8.741 1.822 2.911 1.00 0.00 C ATOM 556 CD LYS A 38 7.318 2.344 3.087 1.00 0.00 C ATOM 557 CE LYS A 38 6.305 1.215 2.915 1.00 0.00 C ATOM 558 NZ LYS A 38 4.966 1.696 3.353 1.00 0.00 N ATOM 0 H LYS A 38 9.444 5.425 2.204 1.00 0.00 H new ATOM 0 HA LYS A 38 10.768 3.159 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.673 2.752 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.321 3.835 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.811 1.205 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.022 1.192 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.209 2.790 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.121 3.130 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.269 0.897 1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.604 0.347 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.646 1.137 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.028 2.698 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.286 1.589 2.573 1.00 0.00 H new ATOM 572 N MET A 39 7.659 3.876 0.282 1.00 0.00 N ATOM 573 CA MET A 39 6.585 3.511 -0.625 1.00 0.00 C ATOM 574 C MET A 39 7.004 3.806 -2.050 1.00 0.00 C ATOM 575 O MET A 39 6.648 3.082 -2.976 1.00 0.00 O ATOM 576 CB MET A 39 5.264 4.230 -0.287 1.00 0.00 C ATOM 577 CG MET A 39 4.428 3.448 0.753 1.00 0.00 C ATOM 578 SD MET A 39 4.118 1.738 0.216 1.00 0.00 S ATOM 579 CE MET A 39 3.157 2.118 -1.268 1.00 0.00 C ATOM 0 H MET A 39 7.512 4.743 0.799 1.00 0.00 H new ATOM 0 HA MET A 39 6.399 2.443 -0.511 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.482 5.226 0.098 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.679 4.361 -1.198 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.951 3.440 1.709 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.478 3.957 0.914 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.572 1.245 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.486 2.953 -1.063 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.833 2.386 -2.080 1.00 0.00 H new ATOM 589 N LYS A 40 7.787 4.853 -2.235 1.00 0.00 N ATOM 590 CA LYS A 40 8.243 5.149 -3.569 1.00 0.00 C ATOM 591 C LYS A 40 9.126 4.014 -3.990 1.00 0.00 C ATOM 592 O LYS A 40 9.029 3.498 -5.088 1.00 0.00 O ATOM 593 CB LYS A 40 9.002 6.465 -3.629 1.00 0.00 C ATOM 594 CG LYS A 40 8.022 7.622 -3.416 1.00 0.00 C ATOM 595 CD LYS A 40 8.768 8.955 -3.473 1.00 0.00 C ATOM 596 CE LYS A 40 7.783 10.101 -3.225 1.00 0.00 C ATOM 597 NZ LYS A 40 8.506 11.403 -3.288 1.00 0.00 N ATOM 0 H LYS A 40 8.108 5.489 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 40 7.390 5.257 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.779 6.486 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.500 6.568 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.245 7.597 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.524 7.515 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.560 8.973 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.246 9.076 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.988 10.078 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.310 9.983 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.833 12.181 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.238 11.430 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.952 11.508 -4.222 1.00 0.00 H new ATOM 611 N ARG A 41 9.948 3.597 -3.063 1.00 0.00 N ATOM 612 CA ARG A 41 10.832 2.489 -3.283 1.00 0.00 C ATOM 613 C ARG A 41 10.013 1.308 -3.769 1.00 0.00 C ATOM 614 O ARG A 41 10.441 0.583 -4.641 1.00 0.00 O ATOM 615 CB ARG A 41 11.537 2.161 -1.965 1.00 0.00 C ATOM 616 CG ARG A 41 12.891 1.495 -2.237 1.00 0.00 C ATOM 617 CD ARG A 41 13.578 1.194 -0.907 1.00 0.00 C ATOM 618 NE ARG A 41 14.006 2.433 -0.266 1.00 0.00 N ATOM 619 CZ ARG A 41 15.163 3.008 -0.586 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.936 2.464 -1.485 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.526 4.114 0.002 1.00 0.00 N ATOM 0 H ARG A 41 10.022 4.017 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 41 11.585 2.727 -4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.682 3.073 -1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.912 1.499 -1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.750 0.575 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.517 2.150 -2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.895 0.654 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.439 0.546 -1.073 1.00 0.00 H new ATOM 0 HE ARG A 41 13.409 2.866 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.654 1.597 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.822 2.905 -1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.923 4.538 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.413 4.555 -0.243 1.00 0.00 H new ATOM 635 N VAL A 42 8.826 1.157 -3.185 1.00 0.00 N ATOM 636 CA VAL A 42 7.903 0.081 -3.544 1.00 0.00 C ATOM 637 C VAL A 42 7.270 0.325 -4.920 1.00 0.00 C ATOM 638 O VAL A 42 7.237 -0.574 -5.758 1.00 0.00 O ATOM 639 CB VAL A 42 6.800 -0.044 -2.467 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.682 -0.966 -2.959 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.410 -0.630 -1.192 1.00 0.00 C ATOM 0 H VAL A 42 8.477 1.775 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 42 8.468 -0.849 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 42 6.384 0.943 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.912 -1.046 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.246 -0.555 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.091 -1.955 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.638 -0.721 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.826 -1.614 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.201 0.027 -0.832 1.00 0.00 H new ATOM 651 N VAL A 43 6.768 1.539 -5.148 1.00 0.00 N ATOM 652 CA VAL A 43 6.141 1.868 -6.429 1.00 0.00 C ATOM 653 C VAL A 43 7.203 2.031 -7.509 1.00 0.00 C ATOM 654 O VAL A 43 7.128 1.412 -8.572 1.00 0.00 O ATOM 655 CB VAL A 43 5.322 3.156 -6.304 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.662 3.473 -7.648 1.00 0.00 C ATOM 657 CG2 VAL A 43 4.239 2.969 -5.238 1.00 0.00 C ATOM 0 H VAL A 43 6.782 2.303 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 43 5.475 1.052 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 43 5.978 3.978 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.079 4.390 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.431 3.604 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.005 2.651 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.655 3.885 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.583 2.147 -5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.707 2.741 -4.280 1.00 0.00 H new ATOM 667 N GLN A 44 8.203 2.854 -7.214 1.00 0.00 N ATOM 668 CA GLN A 44 9.294 3.086 -8.139 1.00 0.00 C ATOM 669 C GLN A 44 9.896 1.743 -8.548 1.00 0.00 C ATOM 670 O GLN A 44 10.321 1.572 -9.691 1.00 0.00 O ATOM 671 CB GLN A 44 10.364 3.984 -7.490 1.00 0.00 C ATOM 672 CG GLN A 44 9.773 5.364 -7.181 1.00 0.00 C ATOM 673 CD GLN A 44 9.445 6.097 -8.478 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.261 6.127 -9.398 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.295 6.701 -8.602 1.00 0.00 N ATOM 0 H GLN A 44 8.276 3.371 -6.338 1.00 0.00 H new ATOM 0 HA GLN A 44 8.918 3.597 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.730 3.523 -6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.219 4.087 -8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.872 5.255 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.481 5.948 -6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.620 6.675 -7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.071 7.199 -9.463 1.00 0.00 H new ATOM 684 N HIS A 45 9.905 0.774 -7.623 1.00 0.00 N ATOM 685 CA HIS A 45 10.432 -0.556 -7.937 1.00 0.00 C ATOM 686 C HIS A 45 9.372 -1.392 -8.637 1.00 0.00 C ATOM 687 O HIS A 45 9.670 -2.126 -9.578 1.00 0.00 O ATOM 688 CB HIS A 45 10.867 -1.269 -6.647 1.00 0.00 C ATOM 689 CG HIS A 45 10.833 -2.759 -6.823 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.402 -3.405 -7.906 1.00 0.00 N ATOM 691 CD2 HIS A 45 10.234 -3.731 -6.074 1.00 0.00 C ATOM 692 CE1 HIS A 45 11.130 -4.713 -7.775 1.00 0.00 C ATOM 693 NE2 HIS A 45 10.422 -4.961 -6.677 1.00 0.00 N ATOM 0 H HIS A 45 9.560 0.884 -6.669 1.00 0.00 H new ATOM 0 HA HIS A 45 11.292 -0.439 -8.596 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.874 -0.954 -6.374 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.209 -0.980 -5.827 1.00 0.00 H new ATOM 0 HD1 HIS A 45 11.929 -2.969 -8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.696 -3.565 -5.152 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.447 -5.471 -8.476 1.00 0.00 H new ATOM 701 N THR A 46 8.147 -1.318 -8.146 1.00 0.00 N ATOM 702 CA THR A 46 7.090 -2.128 -8.721 1.00 0.00 C ATOM 703 C THR A 46 7.059 -1.990 -10.227 1.00 0.00 C ATOM 704 O THR A 46 6.896 -2.978 -10.943 1.00 0.00 O ATOM 705 CB THR A 46 5.733 -1.749 -8.120 1.00 0.00 C ATOM 706 OG1 THR A 46 5.718 -2.089 -6.740 1.00 0.00 O ATOM 707 CG2 THR A 46 4.609 -2.496 -8.843 1.00 0.00 C ATOM 0 H THR A 46 7.865 -0.720 -7.369 1.00 0.00 H new ATOM 0 HA THR A 46 7.297 -3.171 -8.481 1.00 0.00 H new ATOM 0 HB THR A 46 5.578 -0.677 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.029 -1.325 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.649 -2.219 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.618 -2.231 -9.900 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.759 -3.570 -8.737 1.00 0.00 H new ATOM 715 N LYS A 47 7.216 -0.775 -10.716 1.00 0.00 N ATOM 716 CA LYS A 47 7.203 -0.562 -12.150 1.00 0.00 C ATOM 717 C LYS A 47 8.537 -0.948 -12.778 1.00 0.00 C ATOM 718 O LYS A 47 8.578 -1.384 -13.929 1.00 0.00 O ATOM 719 CB LYS A 47 6.892 0.894 -12.486 1.00 0.00 C ATOM 720 CG LYS A 47 5.471 1.245 -12.034 1.00 0.00 C ATOM 721 CD LYS A 47 5.005 2.511 -12.753 1.00 0.00 C ATOM 722 CE LYS A 47 5.855 3.706 -12.316 1.00 0.00 C ATOM 723 NZ LYS A 47 5.210 4.965 -12.787 1.00 0.00 N ATOM 0 H LYS A 47 7.352 0.065 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 47 6.420 -1.199 -12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.611 1.550 -11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.992 1.057 -13.559 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.794 0.419 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.449 1.398 -10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.082 2.375 -13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.955 2.700 -12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.955 3.719 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.861 3.622 -12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.765 5.368 -13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.246 4.758 -13.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.168 5.648 -12.004 1.00 0.00 H new ATOM 737 N GLY A 48 9.631 -0.783 -12.034 1.00 0.00 N ATOM 738 CA GLY A 48 10.942 -1.125 -12.565 1.00 0.00 C ATOM 739 C GLY A 48 10.896 -2.473 -13.265 1.00 0.00 C ATOM 740 O GLY A 48 11.672 -2.732 -14.186 1.00 0.00 O ATOM 0 H GLY A 48 9.633 -0.421 -11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.270 -0.356 -13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.673 -1.153 -11.757 1.00 0.00 H new ATOM 744 N CYS A 49 9.971 -3.329 -12.829 1.00 0.00 N ATOM 745 CA CYS A 49 9.816 -4.662 -13.432 1.00 0.00 C ATOM 746 C CYS A 49 8.470 -4.767 -14.164 1.00 0.00 C ATOM 747 O CYS A 49 7.440 -4.337 -13.646 1.00 0.00 O ATOM 748 CB CYS A 49 9.948 -5.726 -12.341 1.00 0.00 C ATOM 749 SG CYS A 49 9.323 -7.311 -12.948 1.00 0.00 S ATOM 0 H CYS A 49 9.321 -3.130 -12.068 1.00 0.00 H new ATOM 0 HA CYS A 49 10.600 -4.825 -14.172 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.992 -5.827 -12.043 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.392 -5.421 -11.454 1.00 0.00 H new ATOM 0 HG CYS A 49 9.441 -8.210 -12.016 1.00 0.00 H new ATOM 755 N LYS A 50 8.488 -5.326 -15.381 1.00 0.00 N ATOM 756 CA LYS A 50 7.268 -5.464 -16.183 1.00 0.00 C ATOM 757 C LYS A 50 6.451 -6.694 -15.780 1.00 0.00 C ATOM 758 O LYS A 50 5.220 -6.648 -15.764 1.00 0.00 O ATOM 759 CB LYS A 50 7.633 -5.547 -17.673 1.00 0.00 C ATOM 760 CG LYS A 50 8.375 -4.275 -18.122 1.00 0.00 C ATOM 761 CD LYS A 50 7.390 -3.115 -18.336 1.00 0.00 C ATOM 762 CE LYS A 50 8.153 -1.885 -18.830 1.00 0.00 C ATOM 763 NZ LYS A 50 7.196 -0.760 -19.034 1.00 0.00 N ATOM 0 H LYS A 50 9.330 -5.688 -15.829 1.00 0.00 H new ATOM 0 HA LYS A 50 6.651 -4.585 -15.999 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.259 -6.421 -17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.729 -5.676 -18.268 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.115 -3.996 -17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.918 -4.472 -19.046 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.628 -3.400 -19.062 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.873 -2.886 -17.404 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.916 -1.601 -18.106 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.668 -2.113 -19.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.712 0.078 -19.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.483 -1.034 -19.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.724 -0.538 -18.134 1.00 0.00 H new ATOM 777 N ARG A 51 7.131 -7.786 -15.447 1.00 0.00 N ATOM 778 CA ARG A 51 6.442 -9.006 -15.037 1.00 0.00 C ATOM 779 C ARG A 51 5.718 -8.765 -13.732 1.00 0.00 C ATOM 780 O ARG A 51 4.583 -9.199 -13.536 1.00 0.00 O ATOM 781 CB ARG A 51 7.454 -10.150 -14.872 1.00 0.00 C ATOM 782 CG ARG A 51 6.785 -11.383 -14.205 1.00 0.00 C ATOM 783 CD ARG A 51 7.135 -11.442 -12.706 1.00 0.00 C ATOM 784 NE ARG A 51 8.562 -11.694 -12.535 1.00 0.00 N ATOM 785 CZ ARG A 51 9.154 -11.512 -11.360 1.00 0.00 C ATOM 786 NH1 ARG A 51 8.459 -11.094 -10.339 1.00 0.00 N ATOM 787 NH2 ARG A 51 10.431 -11.748 -11.230 1.00 0.00 N ATOM 0 H ARG A 51 8.149 -7.853 -15.452 1.00 0.00 H new ATOM 0 HA ARG A 51 5.718 -9.284 -15.803 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.855 -10.430 -15.846 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.295 -9.814 -14.265 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.704 -11.329 -14.330 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.118 -12.296 -14.698 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.863 -10.503 -12.224 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.558 -12.229 -12.220 1.00 0.00 H new ATOM 0 HE ARG A 51 9.114 -12.015 -13.331 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.462 -10.907 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.913 -10.954 -9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.974 -12.072 -12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.886 -11.608 -10.328 1.00 0.00 H new ATOM 801 N LYS A 52 6.391 -8.061 -12.849 1.00 0.00 N ATOM 802 CA LYS A 52 5.848 -7.735 -11.564 1.00 0.00 C ATOM 803 C LYS A 52 4.654 -6.816 -11.718 1.00 0.00 C ATOM 804 O LYS A 52 3.638 -6.979 -11.046 1.00 0.00 O ATOM 805 CB LYS A 52 6.942 -7.067 -10.736 1.00 0.00 C ATOM 806 CG LYS A 52 6.345 -6.464 -9.477 1.00 0.00 C ATOM 807 CD LYS A 52 7.456 -6.062 -8.507 1.00 0.00 C ATOM 808 CE LYS A 52 6.821 -5.545 -7.217 1.00 0.00 C ATOM 809 NZ LYS A 52 7.880 -5.081 -6.276 1.00 0.00 N ATOM 0 H LYS A 52 7.332 -7.701 -13.009 1.00 0.00 H new ATOM 0 HA LYS A 52 5.508 -8.639 -11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.707 -7.797 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.432 -6.291 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.742 -5.592 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.679 -7.183 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.099 -6.916 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.086 -5.292 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.138 -4.725 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.230 -6.334 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.795 -5.596 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.816 -5.261 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.768 -4.062 -6.103 1.00 0.00 H new ATOM 823 N THR A 53 4.805 -5.835 -12.590 1.00 0.00 N ATOM 824 CA THR A 53 3.753 -4.860 -12.812 1.00 0.00 C ATOM 825 C THR A 53 2.437 -5.544 -13.165 1.00 0.00 C ATOM 826 O THR A 53 1.368 -4.948 -13.041 1.00 0.00 O ATOM 827 CB THR A 53 4.179 -3.887 -13.932 1.00 0.00 C ATOM 828 OG1 THR A 53 5.057 -2.911 -13.393 1.00 0.00 O ATOM 829 CG2 THR A 53 2.964 -3.184 -14.570 1.00 0.00 C ATOM 0 H THR A 53 5.643 -5.693 -13.154 1.00 0.00 H new ATOM 0 HA THR A 53 3.595 -4.299 -11.891 1.00 0.00 H new ATOM 0 HB THR A 53 4.680 -4.464 -14.710 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.974 -3.255 -13.402 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.305 -2.508 -15.354 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.296 -3.930 -15.000 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.430 -2.616 -13.808 1.00 0.00 H new ATOM 837 N ASN A 54 2.518 -6.789 -13.610 1.00 0.00 N ATOM 838 CA ASN A 54 1.319 -7.528 -13.982 1.00 0.00 C ATOM 839 C ASN A 54 0.736 -8.252 -12.777 1.00 0.00 C ATOM 840 O ASN A 54 -0.214 -9.022 -12.916 1.00 0.00 O ATOM 841 CB ASN A 54 1.659 -8.552 -15.066 1.00 0.00 C ATOM 842 CG ASN A 54 2.078 -7.841 -16.348 1.00 0.00 C ATOM 843 OD1 ASN A 54 1.621 -6.731 -16.623 1.00 0.00 O ATOM 844 ND2 ASN A 54 2.929 -8.418 -17.152 1.00 0.00 N ATOM 0 H ASN A 54 3.391 -7.305 -13.722 1.00 0.00 H new ATOM 0 HA ASN A 54 0.582 -6.818 -14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.463 -9.203 -14.723 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.795 -9.188 -15.260 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.217 -7.949 -18.011 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.306 -9.337 -16.921 1.00 0.00 H new ATOM 851 N GLY A 55 1.312 -8.027 -11.590 1.00 0.00 N ATOM 852 CA GLY A 55 0.831 -8.700 -10.387 1.00 0.00 C ATOM 853 C GLY A 55 1.774 -9.835 -10.031 1.00 0.00 C ATOM 854 O GLY A 55 1.562 -10.556 -9.055 1.00 0.00 O ATOM 0 H GLY A 55 2.098 -7.394 -11.442 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.769 -7.991 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.175 -9.087 -10.551 1.00 0.00 H new ATOM 858 N GLY A 56 2.810 -9.995 -10.848 1.00 0.00 N ATOM 859 CA GLY A 56 3.782 -11.051 -10.644 1.00 0.00 C ATOM 860 C GLY A 56 4.113 -11.236 -9.173 1.00 0.00 C ATOM 861 O GLY A 56 3.965 -12.335 -8.639 1.00 0.00 O ATOM 0 H GLY A 56 2.994 -9.403 -11.658 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.394 -11.985 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.693 -10.818 -11.195 1.00 0.00 H new ATOM 865 N CYS A 57 4.600 -10.179 -8.515 1.00 0.00 N ATOM 866 CA CYS A 57 4.983 -10.289 -7.128 1.00 0.00 C ATOM 867 C CYS A 57 3.812 -9.976 -6.184 1.00 0.00 C ATOM 868 O CYS A 57 2.853 -9.316 -6.580 1.00 0.00 O ATOM 869 CB CYS A 57 6.149 -9.320 -6.868 1.00 0.00 C ATOM 870 SG CYS A 57 7.511 -10.182 -6.033 1.00 0.00 S ATOM 0 H CYS A 57 4.732 -9.254 -8.925 1.00 0.00 H new ATOM 0 HA CYS A 57 5.287 -11.316 -6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.499 -8.900 -7.811 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.808 -8.486 -6.255 1.00 0.00 H new ATOM 0 HG CYS A 57 8.330 -10.662 -6.921 1.00 0.00 H new ATOM 876 N PRO A 58 3.889 -10.403 -4.940 1.00 0.00 N ATOM 877 CA PRO A 58 2.825 -10.115 -3.932 1.00 0.00 C ATOM 878 C PRO A 58 2.655 -8.610 -3.738 1.00 0.00 C ATOM 879 O PRO A 58 1.558 -8.130 -3.476 1.00 0.00 O ATOM 880 CB PRO A 58 3.335 -10.785 -2.642 1.00 0.00 C ATOM 881 CG PRO A 58 4.317 -11.804 -3.107 1.00 0.00 C ATOM 882 CD PRO A 58 4.976 -11.201 -4.342 1.00 0.00 C ATOM 0 HA PRO A 58 1.848 -10.490 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.803 -10.059 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.519 -11.247 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.055 -12.019 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.822 -12.745 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.834 -10.582 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.335 -11.971 -5.025 1.00 0.00 H new ATOM 890 N ILE A 59 3.754 -7.870 -3.891 1.00 0.00 N ATOM 891 CA ILE A 59 3.709 -6.423 -3.749 1.00 0.00 C ATOM 892 C ILE A 59 2.807 -5.856 -4.818 1.00 0.00 C ATOM 893 O ILE A 59 1.972 -4.997 -4.548 1.00 0.00 O ATOM 894 CB ILE A 59 5.135 -5.820 -3.872 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.859 -5.928 -2.526 1.00 0.00 C ATOM 896 CG2 ILE A 59 5.105 -4.341 -4.326 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.276 -5.357 -2.658 1.00 0.00 C ATOM 0 H ILE A 59 4.675 -8.248 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 59 3.318 -6.166 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 59 5.668 -6.390 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.307 -5.384 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.904 -6.970 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.124 -3.962 -4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.621 -4.269 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.548 -3.749 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.790 -5.434 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.826 -5.920 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.220 -4.310 -2.956 1.00 0.00 H new ATOM 909 N CYS A 60 2.982 -6.333 -6.038 1.00 0.00 N ATOM 910 CA CYS A 60 2.186 -5.850 -7.130 1.00 0.00 C ATOM 911 C CYS A 60 0.798 -6.456 -7.069 1.00 0.00 C ATOM 912 O CYS A 60 -0.197 -5.778 -7.306 1.00 0.00 O ATOM 913 CB CYS A 60 2.881 -6.185 -8.442 1.00 0.00 C ATOM 914 SG CYS A 60 2.210 -5.133 -9.755 1.00 0.00 S ATOM 0 H CYS A 60 3.665 -7.049 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 60 2.078 -4.768 -7.061 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.956 -6.030 -8.348 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.731 -7.236 -8.689 1.00 0.00 H new ATOM 0 HG CYS A 60 2.222 -3.893 -9.366 1.00 0.00 H new ATOM 920 N LYS A 61 0.732 -7.731 -6.729 1.00 0.00 N ATOM 921 CA LYS A 61 -0.557 -8.397 -6.627 1.00 0.00 C ATOM 922 C LYS A 61 -1.396 -7.761 -5.518 1.00 0.00 C ATOM 923 O LYS A 61 -2.571 -7.450 -5.715 1.00 0.00 O ATOM 924 CB LYS A 61 -0.354 -9.882 -6.340 1.00 0.00 C ATOM 925 CG LYS A 61 -1.615 -10.653 -6.740 1.00 0.00 C ATOM 926 CD LYS A 61 -1.508 -12.100 -6.270 1.00 0.00 C ATOM 927 CE LYS A 61 -0.386 -12.818 -7.026 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.546 -14.291 -6.869 1.00 0.00 N ATOM 0 H LYS A 61 1.540 -8.319 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.085 -8.286 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.506 -10.257 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.142 -10.034 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.495 -10.183 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.744 -10.621 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.311 -12.129 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.455 -12.615 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.414 -12.549 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.585 -12.504 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.215 -14.780 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.499 -14.540 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.466 -14.583 -7.255 1.00 0.00 H new ATOM 942 N GLN A 62 -0.781 -7.565 -4.352 1.00 0.00 N ATOM 943 CA GLN A 62 -1.482 -6.960 -3.223 1.00 0.00 C ATOM 944 C GLN A 62 -1.788 -5.489 -3.491 1.00 0.00 C ATOM 945 O GLN A 62 -2.876 -5.009 -3.176 1.00 0.00 O ATOM 946 CB GLN A 62 -0.644 -7.071 -1.945 1.00 0.00 C ATOM 947 CG GLN A 62 -0.561 -8.535 -1.502 1.00 0.00 C ATOM 948 CD GLN A 62 0.390 -8.667 -0.315 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.942 -7.670 0.152 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.615 -9.843 0.204 1.00 0.00 N ATOM 0 H GLN A 62 0.191 -7.814 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.419 -7.501 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.357 -6.678 -2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.089 -6.467 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.552 -8.897 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.213 -9.155 -2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.157 -10.668 -0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.249 -9.937 0.998 1.00 0.00 H new ATOM 959 N LEU A 63 -0.817 -4.770 -4.058 1.00 0.00 N ATOM 960 CA LEU A 63 -1.012 -3.349 -4.338 1.00 0.00 C ATOM 961 C LEU A 63 -2.128 -3.162 -5.356 1.00 0.00 C ATOM 962 O LEU A 63 -2.981 -2.287 -5.199 1.00 0.00 O ATOM 963 CB LEU A 63 0.283 -2.708 -4.844 1.00 0.00 C ATOM 964 CG LEU A 63 0.109 -1.193 -4.997 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.192 -0.528 -3.638 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.406 -0.620 -5.566 1.00 0.00 C ATOM 0 H LEU A 63 0.094 -5.140 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.295 -2.854 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.095 -2.918 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.562 -3.146 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.731 -0.993 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.311 0.547 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.111 -0.944 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.633 -0.716 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.306 0.459 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.229 -0.836 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.610 -1.074 -6.536 1.00 0.00 H new ATOM 978 N ILE A 64 -2.140 -4.003 -6.383 1.00 0.00 N ATOM 979 CA ILE A 64 -3.187 -3.926 -7.388 1.00 0.00 C ATOM 980 C ILE A 64 -4.541 -4.142 -6.710 1.00 0.00 C ATOM 981 O ILE A 64 -5.519 -3.466 -7.020 1.00 0.00 O ATOM 982 CB ILE A 64 -2.940 -4.969 -8.490 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.784 -4.493 -9.376 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.194 -5.145 -9.352 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.326 -5.629 -10.295 1.00 0.00 C ATOM 0 H ILE A 64 -1.447 -4.735 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.182 -2.943 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.694 -5.924 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.101 -3.637 -9.972 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.953 -4.159 -8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.002 -5.887 -10.127 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.021 -5.480 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.453 -4.194 -9.817 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.504 -5.282 -10.921 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.991 -6.473 -9.692 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.156 -5.943 -10.928 1.00 0.00 H new ATOM 997 N ALA A 65 -4.581 -5.083 -5.774 1.00 0.00 N ATOM 998 CA ALA A 65 -5.807 -5.368 -5.042 1.00 0.00 C ATOM 999 C ALA A 65 -6.180 -4.190 -4.149 1.00 0.00 C ATOM 1000 O ALA A 65 -7.324 -3.741 -4.147 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.628 -6.624 -4.187 1.00 0.00 C ATOM 0 H ALA A 65 -3.783 -5.658 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.608 -5.533 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.550 -6.829 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.390 -7.471 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.816 -6.468 -3.477 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.200 -3.667 -3.416 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.454 -2.514 -2.558 1.00 0.00 C ATOM 1009 C LEU A 66 -5.938 -1.384 -3.445 1.00 0.00 C ATOM 1010 O LEU A 66 -6.891 -0.670 -3.123 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.165 -2.117 -1.818 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.324 -0.755 -1.127 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.543 -0.760 -0.204 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.068 -0.477 -0.298 1.00 0.00 C ATOM 0 H LEU A 66 -4.241 -4.015 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.207 -2.746 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.918 -2.878 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.335 -2.076 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.462 0.017 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.639 0.213 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.440 -0.967 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.420 -1.530 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.166 0.488 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.945 -1.260 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.196 -0.461 -0.952 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.288 -1.273 -4.590 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.646 -0.282 -5.580 1.00 0.00 C ATOM 1028 C ALA A 67 -7.049 -0.566 -6.098 1.00 0.00 C ATOM 1029 O ALA A 67 -7.789 0.351 -6.446 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.655 -0.340 -6.740 1.00 0.00 C ATOM 0 H ALA A 67 -4.502 -1.866 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.619 0.709 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.925 0.407 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.650 -0.137 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.682 -1.331 -7.192 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.408 -1.849 -6.154 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.732 -2.232 -6.638 1.00 0.00 C ATOM 1038 C ALA A 68 -9.812 -1.639 -5.745 1.00 0.00 C ATOM 1039 O ALA A 68 -10.778 -1.053 -6.230 1.00 0.00 O ATOM 1040 CB ALA A 68 -8.872 -3.755 -6.680 1.00 0.00 C ATOM 0 H ALA A 68 -6.811 -2.628 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.851 -1.842 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.865 -4.019 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.119 -4.171 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.732 -4.161 -5.678 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.639 -1.785 -4.438 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.608 -1.244 -3.495 1.00 0.00 C ATOM 1048 C TYR A 69 -10.696 0.275 -3.626 1.00 0.00 C ATOM 1049 O TYR A 69 -11.791 0.835 -3.675 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.216 -1.619 -2.062 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.485 -3.088 -1.829 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.788 -3.525 -1.562 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.435 -4.012 -1.883 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.040 -4.885 -1.348 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.687 -5.373 -1.669 1.00 0.00 C ATOM 1056 CZ TYR A 69 -10.990 -5.810 -1.401 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.240 -7.151 -1.189 1.00 0.00 O ATOM 0 H TYR A 69 -8.848 -2.267 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.584 -1.672 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.161 -1.401 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.782 -1.018 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.599 -2.813 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.430 -3.675 -2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.045 -5.221 -1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.876 -6.085 -1.711 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.403 -7.655 -1.262 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.543 0.943 -3.677 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.527 2.400 -3.798 1.00 0.00 C ATOM 1069 C HIS A 70 -10.024 2.860 -5.171 1.00 0.00 C ATOM 1070 O HIS A 70 -10.833 3.782 -5.269 1.00 0.00 O ATOM 1071 CB HIS A 70 -8.114 2.932 -3.562 1.00 0.00 C ATOM 1072 CG HIS A 70 -8.132 4.435 -3.636 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.981 5.202 -2.853 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -7.408 5.325 -4.390 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.750 6.493 -3.152 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.800 6.625 -4.083 1.00 0.00 N ATOM 0 H HIS A 70 -8.622 0.507 -3.637 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.203 2.799 -3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.749 2.608 -2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.431 2.527 -4.309 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.657 4.851 -2.174 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.650 5.057 -5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.269 7.322 -2.695 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.527 2.221 -6.227 1.00 0.00 N ATOM 1085 CA ALA A 71 -9.921 2.588 -7.589 1.00 0.00 C ATOM 1086 C ALA A 71 -11.412 2.355 -7.807 1.00 0.00 C ATOM 1087 O ALA A 71 -12.033 3.003 -8.650 1.00 0.00 O ATOM 1088 CB ALA A 71 -9.120 1.785 -8.618 1.00 0.00 C ATOM 0 H ALA A 71 -8.857 1.454 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.709 3.649 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.428 2.072 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.057 1.990 -8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.305 0.721 -8.473 1.00 0.00 H new ATOM 1094 N LYS A 72 -11.988 1.441 -7.031 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.415 1.153 -7.139 1.00 0.00 C ATOM 1096 C LYS A 72 -14.214 2.218 -6.400 1.00 0.00 C ATOM 1097 O LYS A 72 -15.046 2.903 -6.995 1.00 0.00 O ATOM 1098 CB LYS A 72 -13.715 -0.236 -6.557 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.352 -1.317 -7.591 1.00 0.00 C ATOM 1100 CD LYS A 72 -13.413 -2.719 -6.961 1.00 0.00 C ATOM 1101 CE LYS A 72 -12.969 -3.754 -7.995 1.00 0.00 C ATOM 1102 NZ LYS A 72 -12.951 -5.105 -7.366 1.00 0.00 N ATOM 0 H LYS A 72 -11.494 0.892 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.703 1.162 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.145 -0.389 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.770 -0.311 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.038 -1.263 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.351 -1.132 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.769 -2.765 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.427 -2.936 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.648 -3.747 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.978 -3.504 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.649 -5.811 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.287 -5.107 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.904 -5.342 -7.025 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.956 2.367 -5.105 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.662 3.362 -4.324 1.00 0.00 C ATOM 1118 C HIS A 73 -14.436 4.746 -4.914 1.00 0.00 C ATOM 1119 O HIS A 73 -15.365 5.548 -5.002 1.00 0.00 O ATOM 1120 CB HIS A 73 -14.205 3.317 -2.864 1.00 0.00 C ATOM 1121 CG HIS A 73 -15.020 4.281 -2.045 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -14.750 5.639 -2.020 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -16.097 4.097 -1.213 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -15.645 6.215 -1.197 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -16.489 5.320 -0.678 1.00 0.00 N ATOM 0 H HIS A 73 -13.272 1.817 -4.585 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.729 3.141 -4.355 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.315 2.307 -2.470 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -13.147 3.572 -2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.568 3.147 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -15.677 7.273 -0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -17.256 5.495 -0.029 1.00 0.00 H new ATOM 1133 N CYS A 74 -13.211 5.013 -5.354 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.918 6.295 -5.972 1.00 0.00 C ATOM 1135 C CYS A 74 -13.525 6.304 -7.366 1.00 0.00 C ATOM 1136 O CYS A 74 -13.008 5.668 -8.283 1.00 0.00 O ATOM 1137 CB CYS A 74 -11.407 6.510 -6.054 1.00 0.00 C ATOM 1138 SG CYS A 74 -11.067 8.199 -6.607 1.00 0.00 S ATOM 0 H CYS A 74 -12.421 4.371 -5.295 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.343 7.101 -5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.951 6.336 -5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.964 5.793 -6.746 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.086 8.242 -7.906 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.642 7.006 -7.510 1.00 0.00 N ATOM 1145 CA GLN A 75 -15.332 7.066 -8.790 1.00 0.00 C ATOM 1146 C GLN A 75 -14.606 8.026 -9.718 1.00 0.00 C ATOM 1147 O GLN A 75 -14.929 8.159 -10.899 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.785 7.521 -8.562 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.621 7.382 -9.843 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.699 5.920 -10.268 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.701 5.619 -11.538 1.00 0.00 O flip ATOM 1152 NE2 GLN A 75 -17.768 5.029 -9.421 1.00 0.00 N flip ATOM 0 H GLN A 75 -15.086 7.538 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.341 6.080 -9.254 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -17.234 6.927 -7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.795 8.559 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -18.624 7.773 -9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -17.177 7.977 -10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.766 5.267 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.827 4.053 -9.711 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.602 8.679 -9.165 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.793 9.629 -9.917 1.00 0.00 C ATOM 1163 C GLU A 76 -11.548 8.946 -10.420 1.00 0.00 C ATOM 1164 O GLU A 76 -10.870 8.235 -9.677 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.417 10.819 -9.031 1.00 0.00 C ATOM 1166 CG GLU A 76 -11.665 11.861 -9.861 1.00 0.00 C ATOM 1167 CD GLU A 76 -11.371 13.092 -9.011 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -11.537 13.008 -7.805 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -10.986 14.101 -9.577 1.00 0.00 O ATOM 0 H GLU A 76 -13.323 8.570 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.370 9.995 -10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.315 11.262 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.796 10.484 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.733 11.436 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.259 12.143 -10.731 1.00 0.00 H new ATOM 1176 N ASN A 77 -11.244 9.158 -11.689 1.00 0.00 N ATOM 1177 CA ASN A 77 -10.076 8.545 -12.265 1.00 0.00 C ATOM 1178 C ASN A 77 -8.855 9.303 -11.804 1.00 0.00 C ATOM 1179 O ASN A 77 -8.340 10.144 -12.540 1.00 0.00 O ATOM 1180 CB ASN A 77 -10.153 8.580 -13.792 1.00 0.00 C ATOM 1181 CG ASN A 77 -9.051 7.716 -14.400 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -8.708 6.668 -13.853 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -8.475 8.096 -15.510 1.00 0.00 N ATOM 0 H ASN A 77 -11.785 9.742 -12.326 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.018 7.505 -11.945 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.128 8.222 -14.122 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.055 9.607 -14.144 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.740 7.524 -15.925 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.761 8.965 -15.961 1.00 0.00 H new ATOM 1190 N LYS A 78 -8.414 9.017 -10.571 1.00 0.00 N ATOM 1191 CA LYS A 78 -7.251 9.696 -9.987 1.00 0.00 C ATOM 1192 C LYS A 78 -6.305 10.189 -11.081 1.00 0.00 C ATOM 1193 O LYS A 78 -6.423 11.339 -11.495 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.519 8.747 -9.013 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.222 8.729 -7.645 1.00 0.00 C ATOM 1196 CD LYS A 78 -6.805 9.959 -6.816 1.00 0.00 C ATOM 1197 CE LYS A 78 -7.455 9.903 -5.430 1.00 0.00 C ATOM 1198 NZ LYS A 78 -7.137 11.156 -4.689 1.00 0.00 N ATOM 0 H LYS A 78 -8.844 8.322 -9.961 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.598 10.566 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.494 7.740 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.484 9.068 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.303 8.724 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.966 7.816 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.720 9.990 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.104 10.872 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.535 9.787 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.089 9.037 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.576 11.123 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.106 11.247 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.507 11.974 -5.215 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.418 9.298 -11.558 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.463 9.591 -12.645 1.00 0.00 C ATOM 1214 C CYS A 79 -3.024 9.208 -12.270 1.00 0.00 C ATOM 1215 O CYS A 79 -2.416 8.393 -12.960 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.517 11.049 -13.129 1.00 0.00 C ATOM 1217 SG CYS A 79 -3.211 11.318 -14.352 1.00 0.00 S ATOM 0 H CYS A 79 -5.342 8.347 -11.198 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.782 8.965 -13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.492 11.264 -13.567 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.389 11.729 -12.287 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.252 12.549 -14.767 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.442 9.752 -11.225 1.00 0.00 N ATOM 1224 CA PRO A 80 -1.038 9.400 -10.847 1.00 0.00 C ATOM 1225 C PRO A 80 -0.856 7.904 -10.564 1.00 0.00 C ATOM 1226 O PRO A 80 0.203 7.347 -10.849 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.782 10.238 -9.583 1.00 0.00 C ATOM 1228 CG PRO A 80 -2.140 10.548 -9.050 1.00 0.00 C ATOM 1229 CD PRO A 80 -3.006 10.739 -10.282 1.00 0.00 C ATOM 0 HA PRO A 80 -0.337 9.610 -11.655 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.188 9.685 -8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.231 11.149 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.514 9.737 -8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.127 11.446 -8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.058 10.545 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.940 11.755 -10.671 1.00 0.00 H new ATOM 1237 N VAL A 81 -1.873 7.261 -9.996 1.00 0.00 N ATOM 1238 CA VAL A 81 -1.765 5.834 -9.679 1.00 0.00 C ATOM 1239 C VAL A 81 -1.843 4.985 -10.974 1.00 0.00 C ATOM 1240 O VAL A 81 -2.874 4.995 -11.645 1.00 0.00 O ATOM 1241 CB VAL A 81 -2.883 5.421 -8.704 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -2.417 4.233 -7.850 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.213 6.598 -7.783 1.00 0.00 C ATOM 0 H VAL A 81 -2.764 7.691 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.800 5.655 -9.204 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.767 5.135 -9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.212 3.945 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.176 3.391 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.532 4.518 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.004 6.308 -7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.324 6.879 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.546 7.446 -8.381 1.00 0.00 H new ATOM 1253 N PRO A 82 -0.788 4.274 -11.357 1.00 0.00 N ATOM 1254 CA PRO A 82 -0.783 3.445 -12.620 1.00 0.00 C ATOM 1255 C PRO A 82 -1.941 2.435 -12.766 1.00 0.00 C ATOM 1256 O PRO A 82 -2.627 2.403 -13.790 1.00 0.00 O ATOM 1257 CB PRO A 82 0.555 2.680 -12.548 1.00 0.00 C ATOM 1258 CG PRO A 82 1.436 3.484 -11.649 1.00 0.00 C ATOM 1259 CD PRO A 82 0.513 4.181 -10.651 1.00 0.00 C ATOM 0 HA PRO A 82 -0.907 4.102 -13.481 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.409 1.674 -12.155 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.999 2.574 -13.538 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.153 2.844 -11.134 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.012 4.213 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.424 3.611 -9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.891 5.167 -10.382 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.100 1.574 -11.773 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.119 0.513 -11.833 1.00 0.00 C ATOM 1269 C PHE A 83 -4.520 1.078 -11.948 1.00 0.00 C ATOM 1270 O PHE A 83 -5.310 0.663 -12.795 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.064 -0.349 -10.550 1.00 0.00 C ATOM 1272 CG PHE A 83 -1.779 -0.071 -9.810 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -0.573 -0.640 -10.239 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.798 0.785 -8.702 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.616 -0.354 -9.557 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.609 1.077 -8.026 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.598 0.507 -8.454 1.00 0.00 C ATOM 0 H PHE A 83 -1.545 1.580 -10.917 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.899 -0.084 -12.718 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.919 -0.125 -9.912 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.126 -1.406 -10.807 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.560 -1.299 -11.095 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.729 1.219 -8.370 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.546 -0.797 -9.882 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.621 1.741 -7.175 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.516 0.733 -7.931 1.00 0.00 H new ATOM 1287 N CYS A 84 -4.835 1.992 -11.059 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.156 2.561 -11.036 1.00 0.00 C ATOM 1289 C CYS A 84 -6.525 3.053 -12.428 1.00 0.00 C ATOM 1290 O CYS A 84 -7.656 2.883 -12.872 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.197 3.686 -10.022 1.00 0.00 C ATOM 1292 SG CYS A 84 -5.432 3.121 -8.483 1.00 0.00 S ATOM 0 H CYS A 84 -4.198 2.353 -10.349 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.886 1.807 -10.742 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.669 4.559 -10.406 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.227 3.991 -9.840 1.00 0.00 H new ATOM 0 HG CYS A 84 -5.460 4.081 -7.607 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.550 3.612 -13.137 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.790 4.060 -14.504 1.00 0.00 C ATOM 1300 C LEU A 85 -6.123 2.857 -15.384 1.00 0.00 C ATOM 1301 O LEU A 85 -6.986 2.931 -16.249 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.549 4.765 -15.086 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.497 6.239 -14.648 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.157 6.854 -15.092 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.673 7.028 -15.280 1.00 0.00 C ATOM 0 H LEU A 85 -4.601 3.764 -12.795 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.621 4.765 -14.486 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.646 4.252 -14.756 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.569 4.706 -16.174 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.583 6.294 -13.563 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.116 7.899 -14.784 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.335 6.307 -14.631 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.070 6.792 -16.177 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.625 8.070 -14.962 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.603 6.977 -16.367 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.619 6.593 -14.956 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.411 1.759 -15.159 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.607 0.552 -15.949 1.00 0.00 C ATOM 1319 C ASN A 86 -6.982 -0.047 -15.710 1.00 0.00 C ATOM 1320 O ASN A 86 -7.514 -0.744 -16.570 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.528 -0.479 -15.621 1.00 0.00 C ATOM 1322 CG ASN A 86 -3.184 -0.017 -16.174 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.181 0.166 -15.360 1.00 0.00 O flip ATOM 1324 ND2 ASN A 86 -3.045 0.187 -17.380 1.00 0.00 N flip ATOM 0 H ASN A 86 -4.694 1.681 -14.437 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.533 0.828 -17.001 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.459 -0.616 -14.542 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.794 -1.446 -16.049 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.830 0.044 -18.015 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.145 0.499 -17.744 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.551 0.221 -14.539 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.873 -0.299 -14.197 1.00 0.00 C ATOM 1333 C ILE A 87 -9.965 0.724 -14.513 1.00 0.00 C ATOM 1334 O ILE A 87 -10.981 0.384 -15.123 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.912 -0.673 -12.716 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.916 -1.808 -12.472 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.320 -1.140 -12.340 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.745 -2.034 -10.969 1.00 0.00 C ATOM 0 H ILE A 87 -7.120 0.793 -13.812 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.061 -1.188 -14.799 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.649 0.192 -12.108 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.269 -2.723 -12.949 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.955 -1.564 -12.924 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.345 -1.406 -11.283 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.032 -0.337 -12.529 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.587 -2.010 -12.940 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.035 -2.843 -10.801 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.372 -1.122 -10.504 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.707 -2.298 -10.529 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.760 1.974 -14.098 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.760 3.023 -14.358 1.00 0.00 C ATOM 1352 C LYS A 88 -10.772 3.428 -15.836 1.00 0.00 C ATOM 1353 O LYS A 88 -11.835 3.664 -16.409 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.534 4.274 -13.452 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.524 4.284 -12.265 1.00 0.00 C ATOM 1356 CD LYS A 88 -12.898 4.785 -12.734 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.871 4.785 -11.555 1.00 0.00 C ATOM 1358 NZ LYS A 88 -15.215 5.226 -12.021 1.00 0.00 N ATOM 0 H LYS A 88 -8.932 2.286 -13.591 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.734 2.601 -14.110 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.511 4.276 -13.077 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.659 5.182 -14.042 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.616 3.281 -11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.145 4.926 -11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.809 5.790 -13.146 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.277 4.146 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.934 3.787 -11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.509 5.451 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.948 4.641 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.362 6.223 -11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.275 5.123 -13.054 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.592 3.519 -16.448 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.511 3.910 -17.858 1.00 0.00 C ATOM 1374 C GLN A 89 -9.795 2.718 -18.763 1.00 0.00 C ATOM 1375 O GLN A 89 -10.328 2.888 -19.858 1.00 0.00 O ATOM 1376 CB GLN A 89 -8.119 4.470 -18.178 1.00 0.00 C ATOM 1377 CG GLN A 89 -8.183 5.331 -19.443 1.00 0.00 C ATOM 1378 CD GLN A 89 -6.803 5.903 -19.747 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -5.951 5.973 -18.861 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -6.528 6.314 -20.953 1.00 0.00 N ATOM 0 H GLN A 89 -8.694 3.332 -16.002 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.261 4.681 -18.038 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.755 5.065 -17.340 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.412 3.653 -18.319 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.532 4.732 -20.284 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.901 6.140 -19.308 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.235 6.255 -21.686 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.605 6.694 -21.164 1.00 0.00 H new ATOM 1389 N LYS A 90 -9.411 1.523 -18.293 1.00 0.00 N ATOM 1390 CA LYS A 90 -9.597 0.268 -19.050 1.00 0.00 C ATOM 1391 C LYS A 90 -10.659 0.407 -20.151 1.00 0.00 C ATOM 1392 O LYS A 90 -11.798 0.686 -19.815 1.00 0.00 O ATOM 1393 CB LYS A 90 -10.001 -0.880 -18.090 1.00 0.00 C ATOM 1394 CG LYS A 90 -9.270 -2.179 -18.464 1.00 0.00 C ATOM 1395 CD LYS A 90 -9.583 -3.265 -17.435 1.00 0.00 C ATOM 1396 CE LYS A 90 -8.844 -4.549 -17.818 1.00 0.00 C ATOM 1397 NZ LYS A 90 -9.167 -5.622 -16.837 1.00 0.00 N ATOM 1398 OXT LYS A 90 -10.311 0.238 -21.308 1.00 0.00 O ATOM 0 H LYS A 90 -8.965 1.395 -17.384 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.645 0.038 -19.528 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.761 -0.604 -17.063 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.079 -1.037 -18.135 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.577 -2.507 -19.457 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.195 -2.003 -18.505 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.279 -2.939 -16.440 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.657 -3.447 -17.396 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.132 -4.861 -18.822 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.769 -4.370 -17.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.664 -6.494 -17.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.871 -5.323 -15.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.192 -5.799 -16.841 1.00 0.00 H new TER 1412 LYS A 90 ATOM 1413 N MET B 1 -11.606 -25.150 16.000 1.00 0.00 N ATOM 1414 CA MET B 1 -10.692 -24.281 16.793 1.00 0.00 C ATOM 1415 C MET B 1 -10.069 -25.101 17.917 1.00 0.00 C ATOM 1416 O MET B 1 -10.706 -25.360 18.938 1.00 0.00 O ATOM 1417 CB MET B 1 -11.484 -23.109 17.378 1.00 0.00 C ATOM 1418 CG MET B 1 -11.963 -22.201 16.244 1.00 0.00 C ATOM 1419 SD MET B 1 -12.812 -20.758 16.936 1.00 0.00 S ATOM 1420 CE MET B 1 -14.288 -21.611 17.547 1.00 0.00 C ATOM 0 H1 MET B 1 -11.820 -24.691 15.092 1.00 0.00 H new ATOM 0 H2 MET B 1 -11.148 -26.067 15.825 1.00 0.00 H new ATOM 0 H3 MET B 1 -12.489 -25.299 16.529 1.00 0.00 H new ATOM 0 HA MET B 1 -9.902 -23.892 16.151 1.00 0.00 H new ATOM 0 HB2 MET B 1 -12.337 -23.480 17.946 1.00 0.00 H new ATOM 0 HB3 MET B 1 -10.860 -22.545 18.071 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.115 -21.881 15.639 1.00 0.00 H new ATOM 0 HG3 MET B 1 -12.636 -22.750 15.585 1.00 0.00 H new ATOM 0 HE1 MET B 1 -15.113 -20.903 17.621 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.558 -22.411 16.857 1.00 0.00 H new ATOM 0 HE3 MET B 1 -14.083 -22.034 18.531 1.00 0.00 H new ATOM 1432 N GLU B 2 -8.820 -25.509 17.723 1.00 0.00 N ATOM 1433 CA GLU B 2 -8.122 -26.300 18.727 1.00 0.00 C ATOM 1434 C GLU B 2 -7.897 -25.474 19.990 1.00 0.00 C ATOM 1435 O GLU B 2 -7.922 -26.008 21.098 1.00 0.00 O ATOM 1436 CB GLU B 2 -6.781 -26.789 18.176 1.00 0.00 C ATOM 1437 CG GLU B 2 -6.117 -27.720 19.194 1.00 0.00 C ATOM 1438 CD GLU B 2 -4.841 -28.312 18.605 1.00 0.00 C ATOM 1439 OE1 GLU B 2 -4.409 -27.829 17.571 1.00 0.00 O ATOM 1440 OE2 GLU B 2 -4.314 -29.241 19.195 1.00 0.00 O ATOM 0 H GLU B 2 -8.274 -25.306 16.886 1.00 0.00 H new ATOM 0 HA GLU B 2 -8.737 -27.164 18.978 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -6.933 -27.314 17.233 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.131 -25.940 17.966 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -5.885 -27.169 20.106 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.805 -28.519 19.471 1.00 0.00 H new ATOM 1447 N GLU B 3 -7.704 -24.165 19.815 1.00 0.00 N ATOM 1448 CA GLU B 3 -7.501 -23.254 20.946 1.00 0.00 C ATOM 1449 C GLU B 3 -6.990 -21.902 20.437 1.00 0.00 C ATOM 1450 O GLU B 3 -7.466 -20.856 20.872 1.00 0.00 O ATOM 1451 CB GLU B 3 -6.509 -23.846 21.997 1.00 0.00 C ATOM 1452 CG GLU B 3 -7.245 -24.189 23.302 1.00 0.00 C ATOM 1453 CD GLU B 3 -6.331 -24.991 24.222 1.00 0.00 C ATOM 1454 OE1 GLU B 3 -5.824 -26.010 23.780 1.00 0.00 O ATOM 1455 OE2 GLU B 3 -6.150 -24.576 25.354 1.00 0.00 O ATOM 0 H GLU B 3 -7.684 -23.711 18.902 1.00 0.00 H new ATOM 0 HA GLU B 3 -8.461 -23.118 21.444 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -6.035 -24.741 21.594 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -5.714 -23.128 22.199 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -7.564 -23.274 23.801 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -8.146 -24.762 23.081 1.00 0.00 H new ATOM 1462 N PRO B 4 -6.039 -21.902 19.539 1.00 0.00 N ATOM 1463 CA PRO B 4 -5.470 -20.640 18.978 1.00 0.00 C ATOM 1464 C PRO B 4 -6.553 -19.754 18.369 1.00 0.00 C ATOM 1465 O PRO B 4 -6.501 -18.536 18.500 1.00 0.00 O ATOM 1466 CB PRO B 4 -4.478 -21.126 17.905 1.00 0.00 C ATOM 1467 CG PRO B 4 -4.138 -22.524 18.304 1.00 0.00 C ATOM 1468 CD PRO B 4 -5.399 -23.090 18.955 1.00 0.00 C ATOM 0 HA PRO B 4 -4.996 -20.024 19.743 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -4.924 -21.096 16.911 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -3.589 -20.496 17.874 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -3.845 -23.117 17.438 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -3.299 -22.539 18.999 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -6.045 -23.577 18.225 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -5.160 -23.833 19.716 1.00 0.00 H new ATOM 1476 N GLN B 5 -7.496 -20.410 17.683 1.00 0.00 N ATOM 1477 CA GLN B 5 -8.617 -19.757 16.989 1.00 0.00 C ATOM 1478 C GLN B 5 -8.193 -19.344 15.584 1.00 0.00 C ATOM 1479 O GLN B 5 -7.126 -18.754 15.413 1.00 0.00 O ATOM 1480 CB GLN B 5 -9.138 -18.516 17.732 1.00 0.00 C ATOM 1481 CG GLN B 5 -9.621 -18.911 19.125 1.00 0.00 C ATOM 1482 CD GLN B 5 -9.997 -17.665 19.919 1.00 0.00 C ATOM 1483 OE1 GLN B 5 -9.958 -16.555 19.387 1.00 0.00 O ATOM 1484 NE2 GLN B 5 -10.357 -17.782 21.167 1.00 0.00 N ATOM 0 H GLN B 5 -7.504 -21.426 17.592 1.00 0.00 H new ATOM 0 HA GLN B 5 -9.425 -20.488 16.950 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -8.348 -17.769 17.809 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -9.953 -18.060 17.170 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -10.482 -19.575 19.046 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -8.839 -19.463 19.647 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -10.388 -18.703 21.605 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -10.607 -16.953 21.705 1.00 0.00 H new ATOM 1493 N SER B 6 -9.031 -19.673 14.589 1.00 0.00 N ATOM 1494 CA SER B 6 -8.758 -19.352 13.176 1.00 0.00 C ATOM 1495 C SER B 6 -7.725 -18.235 13.026 1.00 0.00 C ATOM 1496 O SER B 6 -7.844 -17.185 13.652 1.00 0.00 O ATOM 1497 CB SER B 6 -10.057 -18.917 12.497 1.00 0.00 C ATOM 1498 OG SER B 6 -10.470 -17.667 13.034 1.00 0.00 O ATOM 0 H SER B 6 -9.912 -20.166 14.737 1.00 0.00 H new ATOM 0 HA SER B 6 -8.354 -20.249 12.708 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.908 -18.832 11.421 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.832 -19.667 12.653 1.00 0.00 H new ATOM 0 HG SER B 6 -11.302 -17.383 12.600 1.00 0.00 H new ATOM 1504 N ASP B 7 -6.708 -18.475 12.199 1.00 0.00 N ATOM 1505 CA ASP B 7 -5.643 -17.491 11.974 1.00 0.00 C ATOM 1506 C ASP B 7 -5.861 -16.668 10.695 1.00 0.00 C ATOM 1507 O ASP B 7 -5.459 -15.507 10.636 1.00 0.00 O ATOM 1508 CB ASP B 7 -4.293 -18.207 11.889 1.00 0.00 C ATOM 1509 CG ASP B 7 -4.215 -19.306 12.943 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -4.602 -19.046 14.071 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -3.772 -20.391 12.608 1.00 0.00 O ATOM 0 H ASP B 7 -6.597 -19.342 11.673 1.00 0.00 H new ATOM 0 HA ASP B 7 -5.660 -16.800 12.817 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -4.162 -18.635 10.895 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -3.484 -17.492 12.037 1.00 0.00 H new ATOM 1516 N PRO B 8 -6.465 -17.230 9.675 1.00 0.00 N ATOM 1517 CA PRO B 8 -6.704 -16.505 8.388 1.00 0.00 C ATOM 1518 C PRO B 8 -7.400 -15.154 8.578 1.00 0.00 C ATOM 1519 O PRO B 8 -7.095 -14.194 7.870 1.00 0.00 O ATOM 1520 CB PRO B 8 -7.584 -17.476 7.583 1.00 0.00 C ATOM 1521 CG PRO B 8 -7.249 -18.825 8.127 1.00 0.00 C ATOM 1522 CD PRO B 8 -6.982 -18.610 9.616 1.00 0.00 C ATOM 0 HA PRO B 8 -5.768 -16.253 7.890 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -8.643 -17.249 7.709 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.370 -17.414 6.516 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -8.070 -19.525 7.973 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -6.375 -19.243 7.628 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -7.890 -18.724 10.208 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.258 -19.327 10.002 1.00 0.00 H new ATOM 1530 N SER B 9 -8.338 -15.077 9.524 1.00 0.00 N ATOM 1531 CA SER B 9 -9.065 -13.825 9.773 1.00 0.00 C ATOM 1532 C SER B 9 -8.557 -13.122 11.023 1.00 0.00 C ATOM 1533 O SER B 9 -8.821 -11.938 11.236 1.00 0.00 O ATOM 1534 CB SER B 9 -10.559 -14.109 9.921 1.00 0.00 C ATOM 1535 OG SER B 9 -10.772 -14.911 11.075 1.00 0.00 O ATOM 0 H SER B 9 -8.612 -15.855 10.125 1.00 0.00 H new ATOM 0 HA SER B 9 -8.895 -13.169 8.920 1.00 0.00 H new ATOM 0 HB2 SER B 9 -11.112 -13.174 10.007 1.00 0.00 H new ATOM 0 HB3 SER B 9 -10.933 -14.620 9.034 1.00 0.00 H new ATOM 0 HG SER B 9 -11.730 -15.094 11.174 1.00 0.00 H new ATOM 1541 N VAL B 10 -7.833 -13.857 11.843 1.00 0.00 N ATOM 1542 CA VAL B 10 -7.282 -13.308 13.085 1.00 0.00 C ATOM 1543 C VAL B 10 -5.804 -12.993 12.920 1.00 0.00 C ATOM 1544 O VAL B 10 -4.951 -13.828 13.219 1.00 0.00 O ATOM 1545 CB VAL B 10 -7.433 -14.325 14.210 1.00 0.00 C ATOM 1546 CG1 VAL B 10 -7.053 -13.676 15.543 1.00 0.00 C ATOM 1547 CG2 VAL B 10 -8.882 -14.813 14.279 1.00 0.00 C ATOM 0 H VAL B 10 -7.607 -14.838 11.679 1.00 0.00 H new ATOM 0 HA VAL B 10 -7.826 -12.394 13.324 1.00 0.00 H new ATOM 0 HB VAL B 10 -6.776 -15.172 14.015 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -7.162 -14.405 16.346 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -6.019 -13.335 15.500 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -7.708 -12.826 15.733 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -8.983 -15.540 15.085 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -9.542 -13.967 14.468 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -9.154 -15.281 13.333 1.00 0.00 H new ATOM 1557 N GLU B 11 -5.501 -11.798 12.423 1.00 0.00 N ATOM 1558 CA GLU B 11 -4.113 -11.394 12.202 1.00 0.00 C ATOM 1559 C GLU B 11 -3.708 -10.281 13.178 1.00 0.00 C ATOM 1560 O GLU B 11 -3.891 -9.104 12.876 1.00 0.00 O ATOM 1561 CB GLU B 11 -3.982 -10.905 10.762 1.00 0.00 C ATOM 1562 CG GLU B 11 -4.263 -12.082 9.821 1.00 0.00 C ATOM 1563 CD GLU B 11 -4.548 -11.573 8.413 1.00 0.00 C ATOM 1564 OE1 GLU B 11 -4.059 -10.506 8.081 1.00 0.00 O ATOM 1565 OE2 GLU B 11 -5.251 -12.257 7.689 1.00 0.00 O ATOM 0 H GLU B 11 -6.193 -11.094 12.166 1.00 0.00 H new ATOM 0 HA GLU B 11 -3.452 -12.243 12.375 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -4.684 -10.093 10.573 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -2.982 -10.510 10.586 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -3.407 -12.757 9.805 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -5.114 -12.655 10.188 1.00 0.00 H new ATOM 1572 N PRO B 12 -3.175 -10.622 14.336 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.763 -9.613 15.362 1.00 0.00 C ATOM 1574 C PRO B 12 -2.067 -8.391 14.748 1.00 0.00 C ATOM 1575 O PRO B 12 -0.887 -8.466 14.405 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.795 -10.405 16.244 1.00 0.00 C ATOM 1577 CG PRO B 12 -2.332 -11.797 16.217 1.00 0.00 C ATOM 1578 CD PRO B 12 -2.893 -11.999 14.804 1.00 0.00 C ATOM 0 HA PRO B 12 -3.616 -9.197 15.898 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.777 -10.363 15.856 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.766 -10.009 17.259 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -1.549 -12.523 16.435 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -3.109 -11.931 16.970 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -2.175 -12.502 14.157 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -3.795 -12.610 14.815 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.750 -7.274 14.603 1.00 0.00 N ATOM 1587 CA PRO B 13 -2.130 -6.048 14.017 1.00 0.00 C ATOM 1588 C PRO B 13 -0.881 -5.620 14.791 1.00 0.00 C ATOM 1589 O PRO B 13 -0.927 -5.425 16.006 1.00 0.00 O ATOM 1590 CB PRO B 13 -3.242 -4.984 14.116 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.516 -5.759 14.230 1.00 0.00 C ATOM 1592 CD PRO B 13 -4.161 -7.047 14.970 1.00 0.00 C ATOM 0 HA PRO B 13 -1.790 -6.206 12.994 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.094 -4.339 14.982 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -3.250 -4.340 13.237 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.270 -5.191 14.775 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.930 -5.976 13.245 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -4.283 -6.938 16.048 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.796 -7.877 14.659 1.00 0.00 H new ATOM 1600 N LEU B 14 0.231 -5.470 14.074 1.00 0.00 N ATOM 1601 CA LEU B 14 1.495 -5.059 14.686 1.00 0.00 C ATOM 1602 C LEU B 14 1.794 -3.608 14.327 1.00 0.00 C ATOM 1603 O LEU B 14 2.898 -3.117 14.563 1.00 0.00 O ATOM 1604 CB LEU B 14 2.629 -5.959 14.182 1.00 0.00 C ATOM 1605 CG LEU B 14 2.352 -7.423 14.563 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.360 -8.326 13.848 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.489 -7.618 16.084 1.00 0.00 C ATOM 0 H LEU B 14 0.283 -5.627 13.067 1.00 0.00 H new ATOM 0 HA LEU B 14 1.416 -5.151 15.769 1.00 0.00 H new ATOM 0 HB2 LEU B 14 2.722 -5.868 13.100 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.578 -5.637 14.611 1.00 0.00 H new ATOM 0 HG LEU B 14 1.336 -7.681 14.264 1.00 0.00 H new ATOM 0 HD11 LEU B 14 3.169 -9.366 14.114 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.258 -8.202 12.770 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.371 -8.054 14.151 1.00 0.00 H new ATOM 0 HD21 LEU B 14 2.290 -8.659 16.337 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.500 -7.356 16.395 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.774 -6.977 16.599 1.00 0.00 H new ATOM 1619 N SER B 15 0.802 -2.941 13.734 1.00 0.00 N ATOM 1620 CA SER B 15 0.943 -1.547 13.307 1.00 0.00 C ATOM 1621 C SER B 15 1.559 -1.492 11.911 1.00 0.00 C ATOM 1622 O SER B 15 1.316 -0.559 11.147 1.00 0.00 O ATOM 1623 CB SER B 15 1.816 -0.755 14.298 1.00 0.00 C ATOM 1624 OG SER B 15 1.625 -1.276 15.607 1.00 0.00 O ATOM 0 H SER B 15 -0.113 -3.347 13.538 1.00 0.00 H new ATOM 0 HA SER B 15 -0.047 -1.092 13.283 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.866 -0.827 14.014 1.00 0.00 H new ATOM 0 HB3 SER B 15 1.550 0.302 14.272 1.00 0.00 H new ATOM 0 HG SER B 15 2.390 -1.838 15.850 1.00 0.00 H new ATOM 1630 N GLN B 16 2.352 -2.512 11.590 1.00 0.00 N ATOM 1631 CA GLN B 16 3.007 -2.607 10.288 1.00 0.00 C ATOM 1632 C GLN B 16 2.435 -3.791 9.534 1.00 0.00 C ATOM 1633 O GLN B 16 3.101 -4.390 8.688 1.00 0.00 O ATOM 1634 CB GLN B 16 4.515 -2.798 10.477 1.00 0.00 C ATOM 1635 CG GLN B 16 5.119 -1.525 11.071 1.00 0.00 C ATOM 1636 CD GLN B 16 6.618 -1.709 11.286 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.187 -2.717 10.867 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.294 -0.793 11.923 1.00 0.00 N ATOM 0 H GLN B 16 2.557 -3.289 12.218 1.00 0.00 H new ATOM 0 HA GLN B 16 2.834 -1.690 9.724 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.705 -3.645 11.136 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.986 -3.025 9.521 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.940 -0.682 10.404 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.634 -1.290 12.018 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.821 0.042 12.269 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.296 -0.911 12.075 1.00 0.00 H new ATOM 1647 N GLU B 17 1.195 -4.135 9.865 1.00 0.00 N ATOM 1648 CA GLU B 17 0.535 -5.266 9.237 1.00 0.00 C ATOM 1649 C GLU B 17 0.748 -5.242 7.728 1.00 0.00 C ATOM 1650 O GLU B 17 1.283 -6.190 7.155 1.00 0.00 O ATOM 1651 CB GLU B 17 -0.963 -5.240 9.553 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.636 -6.479 8.959 1.00 0.00 C ATOM 1653 CD GLU B 17 -3.104 -6.522 9.369 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.469 -5.785 10.271 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.842 -7.293 8.779 1.00 0.00 O ATOM 0 H GLU B 17 0.632 -3.647 10.562 1.00 0.00 H new ATOM 0 HA GLU B 17 0.969 -6.183 9.634 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.117 -5.213 10.632 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.415 -4.337 9.144 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.554 -6.462 7.872 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.127 -7.380 9.303 1.00 0.00 H new ATOM 1662 N THR B 18 0.342 -4.149 7.087 1.00 0.00 N ATOM 1663 CA THR B 18 0.518 -4.023 5.645 1.00 0.00 C ATOM 1664 C THR B 18 1.953 -3.693 5.301 1.00 0.00 C ATOM 1665 O THR B 18 2.583 -4.412 4.525 1.00 0.00 O ATOM 1666 CB THR B 18 -0.412 -2.948 5.081 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.744 -3.206 5.500 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.332 -2.950 3.551 1.00 0.00 C ATOM 0 H THR B 18 -0.105 -3.349 7.536 1.00 0.00 H new ATOM 0 HA THR B 18 0.265 -4.982 5.194 1.00 0.00 H new ATOM 0 HB THR B 18 -0.105 -1.970 5.451 1.00 0.00 H new ATOM 0 HG1 THR B 18 -1.891 -2.811 6.385 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.995 -2.183 3.151 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.692 -2.742 3.240 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.635 -3.926 3.172 1.00 0.00 H new ATOM 1676 N PHE B 19 2.468 -2.607 5.879 1.00 0.00 N ATOM 1677 CA PHE B 19 3.842 -2.192 5.616 1.00 0.00 C ATOM 1678 C PHE B 19 4.739 -3.412 5.480 1.00 0.00 C ATOM 1679 O PHE B 19 5.444 -3.581 4.470 1.00 0.00 O ATOM 1680 CB PHE B 19 4.331 -1.307 6.767 1.00 0.00 C ATOM 1681 CG PHE B 19 3.595 0.010 6.723 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.312 0.113 7.277 1.00 0.00 C ATOM 1683 CD2 PHE B 19 4.186 1.122 6.117 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.624 1.330 7.226 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.497 2.339 6.065 1.00 0.00 C ATOM 1686 CZ PHE B 19 2.216 2.443 6.619 1.00 0.00 C ATOM 0 H PHE B 19 1.958 -2.005 6.526 1.00 0.00 H new ATOM 0 HA PHE B 19 3.878 -1.628 4.684 1.00 0.00 H new ATOM 0 HB2 PHE B 19 4.158 -1.803 7.722 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.405 -1.141 6.684 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.854 -0.747 7.743 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.174 1.042 5.689 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.636 1.410 7.655 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.954 3.198 5.597 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.684 3.382 6.578 1.00 0.00 H new ATOM 1696 N SER B 20 4.693 -4.261 6.515 1.00 0.00 N ATOM 1697 CA SER B 20 5.484 -5.486 6.559 1.00 0.00 C ATOM 1698 C SER B 20 5.654 -6.066 5.170 1.00 0.00 C ATOM 1699 O SER B 20 6.762 -6.180 4.659 1.00 0.00 O ATOM 1700 CB SER B 20 4.773 -6.515 7.441 1.00 0.00 C ATOM 1701 OG SER B 20 5.519 -7.725 7.445 1.00 0.00 O ATOM 0 H SER B 20 4.109 -4.115 7.338 1.00 0.00 H new ATOM 0 HA SER B 20 6.467 -5.249 6.966 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.672 -6.133 8.457 1.00 0.00 H new ATOM 0 HB3 SER B 20 3.765 -6.697 7.068 1.00 0.00 H new ATOM 0 HG SER B 20 5.067 -8.386 8.010 1.00 0.00 H new ATOM 1707 N ASP B 21 4.536 -6.421 4.569 1.00 0.00 N ATOM 1708 CA ASP B 21 4.541 -7.002 3.239 1.00 0.00 C ATOM 1709 C ASP B 21 5.092 -6.050 2.179 1.00 0.00 C ATOM 1710 O ASP B 21 5.863 -6.461 1.313 1.00 0.00 O ATOM 1711 CB ASP B 21 3.107 -7.391 2.869 1.00 0.00 C ATOM 1712 CG ASP B 21 2.676 -8.626 3.654 1.00 0.00 C ATOM 1713 OD1 ASP B 21 3.518 -9.203 4.324 1.00 0.00 O ATOM 1714 OD2 ASP B 21 1.511 -8.976 3.574 1.00 0.00 O ATOM 0 H ASP B 21 3.609 -6.317 4.981 1.00 0.00 H new ATOM 0 HA ASP B 21 5.196 -7.873 3.261 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.432 -6.562 3.081 1.00 0.00 H new ATOM 0 HB3 ASP B 21 3.041 -7.590 1.799 1.00 0.00 H new ATOM 1719 N LEU B 22 4.661 -4.799 2.206 1.00 0.00 N ATOM 1720 CA LEU B 22 5.087 -3.849 1.189 1.00 0.00 C ATOM 1721 C LEU B 22 6.564 -3.973 0.839 1.00 0.00 C ATOM 1722 O LEU B 22 6.893 -4.357 -0.276 1.00 0.00 O ATOM 1723 CB LEU B 22 4.808 -2.419 1.644 1.00 0.00 C ATOM 1724 CG LEU B 22 3.341 -2.270 2.060 1.00 0.00 C ATOM 1725 CD1 LEU B 22 3.044 -0.797 2.394 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.407 -2.739 0.928 1.00 0.00 C ATOM 0 H LEU B 22 4.026 -4.421 2.909 1.00 0.00 H new ATOM 0 HA LEU B 22 4.511 -4.085 0.295 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.458 -2.163 2.481 1.00 0.00 H new ATOM 0 HB3 LEU B 22 5.037 -1.722 0.838 1.00 0.00 H new ATOM 0 HG LEU B 22 3.165 -2.889 2.940 1.00 0.00 H new ATOM 0 HD11 LEU B 22 2.000 -0.694 2.689 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.686 -0.473 3.213 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.235 -0.179 1.517 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.369 -2.626 1.242 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.584 -2.137 0.037 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.606 -3.787 0.703 1.00 0.00 H new ATOM 1738 N TRP B 23 7.463 -3.604 1.751 1.00 0.00 N ATOM 1739 CA TRP B 23 8.907 -3.646 1.419 1.00 0.00 C ATOM 1740 C TRP B 23 9.588 -5.001 1.701 1.00 0.00 C ATOM 1741 O TRP B 23 10.694 -5.227 1.212 1.00 0.00 O ATOM 1742 CB TRP B 23 9.664 -2.488 2.124 1.00 0.00 C ATOM 1743 CG TRP B 23 10.246 -2.938 3.427 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.543 -3.259 3.643 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.564 -3.124 4.683 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.691 -3.636 4.967 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.494 -3.570 5.649 1.00 0.00 C ATOM 1748 CE3 TRP B 23 8.234 -2.950 5.067 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 10.104 -3.840 6.960 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.835 -3.219 6.377 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.767 -3.665 7.326 1.00 0.00 C ATOM 0 H TRP B 23 7.241 -3.283 2.693 1.00 0.00 H new ATOM 0 HA TRP B 23 8.964 -3.515 0.338 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.459 -2.121 1.475 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.982 -1.655 2.295 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.331 -3.226 2.905 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.575 -3.926 5.386 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.508 -2.605 4.346 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 10.828 -4.181 7.685 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.802 -3.083 6.662 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.452 -3.873 8.338 1.00 0.00 H new ATOM 1762 N LYS B 24 8.979 -5.894 2.494 1.00 0.00 N ATOM 1763 CA LYS B 24 9.643 -7.181 2.794 1.00 0.00 C ATOM 1764 C LYS B 24 9.253 -8.314 1.834 1.00 0.00 C ATOM 1765 O LYS B 24 9.938 -9.335 1.795 1.00 0.00 O ATOM 1766 CB LYS B 24 9.358 -7.628 4.234 1.00 0.00 C ATOM 1767 CG LYS B 24 9.852 -6.550 5.211 1.00 0.00 C ATOM 1768 CD LYS B 24 9.921 -7.105 6.649 1.00 0.00 C ATOM 1769 CE LYS B 24 8.530 -7.098 7.309 1.00 0.00 C ATOM 1770 NZ LYS B 24 8.415 -8.278 8.215 1.00 0.00 N ATOM 0 H LYS B 24 8.065 -5.763 2.927 1.00 0.00 H new ATOM 0 HA LYS B 24 10.708 -6.990 2.662 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.289 -7.795 4.370 1.00 0.00 H new ATOM 0 HB3 LYS B 24 9.857 -8.575 4.438 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.837 -6.199 4.904 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.183 -5.690 5.180 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.315 -8.121 6.632 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.612 -6.505 7.242 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.385 -6.176 7.872 1.00 0.00 H new ATOM 0 HE3 LYS B 24 7.752 -7.132 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 7.411 -8.480 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 8.858 -9.105 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 8.895 -8.073 9.114 1.00 0.00 H new ATOM 1784 N LEU B 25 8.175 -8.154 1.055 1.00 0.00 N ATOM 1785 CA LEU B 25 7.763 -9.209 0.112 1.00 0.00 C ATOM 1786 C LEU B 25 8.143 -8.843 -1.323 1.00 0.00 C ATOM 1787 O LEU B 25 7.480 -9.263 -2.271 1.00 0.00 O ATOM 1788 CB LEU B 25 6.247 -9.464 0.197 1.00 0.00 C ATOM 1789 CG LEU B 25 5.892 -10.312 1.440 1.00 0.00 C ATOM 1790 CD1 LEU B 25 4.362 -10.496 1.516 1.00 0.00 C ATOM 1791 CD2 LEU B 25 6.580 -11.701 1.371 1.00 0.00 C ATOM 0 H LEU B 25 7.582 -7.324 1.055 1.00 0.00 H new ATOM 0 HA LEU B 25 8.290 -10.121 0.393 1.00 0.00 H new ATOM 0 HB2 LEU B 25 5.717 -8.512 0.239 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.911 -9.976 -0.704 1.00 0.00 H new ATOM 0 HG LEU B 25 6.247 -9.793 2.330 1.00 0.00 H new ATOM 0 HD11 LEU B 25 4.110 -11.094 2.392 1.00 0.00 H new ATOM 0 HD12 LEU B 25 3.882 -9.521 1.592 1.00 0.00 H new ATOM 0 HD13 LEU B 25 4.012 -11.004 0.617 1.00 0.00 H new ATOM 0 HD21 LEU B 25 6.317 -12.282 2.255 1.00 0.00 H new ATOM 0 HD22 LEU B 25 6.246 -12.229 0.478 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.661 -11.570 1.332 1.00 0.00 H new ATOM 1803 N LEU B 26 9.210 -8.065 -1.487 1.00 0.00 N ATOM 1804 CA LEU B 26 9.647 -7.670 -2.820 1.00 0.00 C ATOM 1805 C LEU B 26 10.416 -8.819 -3.490 1.00 0.00 C ATOM 1806 O LEU B 26 10.972 -9.672 -2.798 1.00 0.00 O ATOM 1807 CB LEU B 26 10.469 -6.350 -2.721 1.00 0.00 C ATOM 1808 CG LEU B 26 12.012 -6.583 -2.603 1.00 0.00 C ATOM 1809 CD1 LEU B 26 12.735 -6.032 -3.845 1.00 0.00 C ATOM 1810 CD2 LEU B 26 12.570 -5.852 -1.369 1.00 0.00 C ATOM 0 H LEU B 26 9.780 -7.701 -0.724 1.00 0.00 H new ATOM 0 HA LEU B 26 8.788 -7.467 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU B 26 10.268 -5.739 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU B 26 10.128 -5.783 -1.855 1.00 0.00 H new ATOM 0 HG LEU B 26 12.180 -7.656 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.807 -6.202 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.367 -6.541 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU B 26 12.544 -4.963 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.644 -6.023 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU B 26 12.378 -4.783 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU B 26 12.083 -6.231 -0.470 1.00 0.00 H new ATOM 1822 N PRO B 27 10.464 -8.872 -4.807 1.00 0.00 N ATOM 1823 CA PRO B 27 11.191 -9.964 -5.517 1.00 0.00 C ATOM 1824 C PRO B 27 12.597 -10.168 -4.944 1.00 0.00 C ATOM 1825 O PRO B 27 13.010 -11.297 -4.694 1.00 0.00 O ATOM 1826 CB PRO B 27 11.264 -9.485 -6.982 1.00 0.00 C ATOM 1827 CG PRO B 27 10.174 -8.466 -7.146 1.00 0.00 C ATOM 1828 CD PRO B 27 9.842 -7.919 -5.746 1.00 0.00 C ATOM 0 HA PRO B 27 10.686 -10.924 -5.412 1.00 0.00 H new ATOM 0 HB2 PRO B 27 12.239 -9.050 -7.201 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.125 -10.318 -7.671 1.00 0.00 H new ATOM 0 HG2 PRO B 27 10.497 -7.661 -7.806 1.00 0.00 H new ATOM 0 HG3 PRO B 27 9.292 -8.917 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.241 -6.914 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO B 27 8.765 -7.858 -5.591 1.00 0.00 H new ATOM 1836 N GLU B 28 13.299 -9.047 -4.750 1.00 0.00 N ATOM 1837 CA GLU B 28 14.671 -9.017 -4.211 1.00 0.00 C ATOM 1838 C GLU B 28 15.423 -7.836 -4.809 1.00 0.00 C ATOM 1839 O GLU B 28 16.250 -7.215 -4.142 1.00 0.00 O ATOM 1840 CB GLU B 28 15.431 -10.335 -4.494 1.00 0.00 C ATOM 1841 CG GLU B 28 16.932 -10.180 -4.202 1.00 0.00 C ATOM 1842 CD GLU B 28 17.134 -9.753 -2.753 1.00 0.00 C ATOM 1843 OE1 GLU B 28 16.269 -10.051 -1.944 1.00 0.00 O ATOM 1844 OE2 GLU B 28 18.150 -9.140 -2.470 1.00 0.00 O ATOM 0 H GLU B 28 12.930 -8.121 -4.964 1.00 0.00 H new ATOM 0 HA GLU B 28 14.608 -8.906 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU B 28 15.018 -11.136 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU B 28 15.288 -10.625 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU B 28 17.447 -11.122 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU B 28 17.368 -9.440 -4.873 1.00 0.00 H new ATOM 1851 N ASN B 29 15.128 -7.524 -6.066 1.00 0.00 N ATOM 1852 CA ASN B 29 15.783 -6.410 -6.739 1.00 0.00 C ATOM 1853 C ASN B 29 14.959 -5.137 -6.598 1.00 0.00 C ATOM 1854 O ASN B 29 13.962 -4.950 -7.295 1.00 0.00 O ATOM 1855 CB ASN B 29 15.966 -6.733 -8.222 1.00 0.00 C ATOM 1856 CG ASN B 29 16.735 -5.609 -8.908 1.00 0.00 C ATOM 1857 OD1 ASN B 29 17.072 -4.610 -8.275 1.00 0.00 O ATOM 1858 ND2 ASN B 29 17.031 -5.712 -10.175 1.00 0.00 N ATOM 0 H ASN B 29 14.445 -8.023 -6.636 1.00 0.00 H new ATOM 0 HA ASN B 29 16.757 -6.254 -6.274 1.00 0.00 H new ATOM 0 HB2 ASN B 29 16.504 -7.674 -8.334 1.00 0.00 H new ATOM 0 HB3 ASN B 29 14.994 -6.863 -8.697 1.00 0.00 H new ATOM 0 HD21 ASN B 29 17.543 -4.963 -10.642 1.00 0.00 H new ATOM 0 HD22 ASN B 29 16.751 -6.541 -10.698 1.00 0.00 H new ATOM 1865 N ASN B 30 15.409 -4.244 -5.723 1.00 0.00 N ATOM 1866 CA ASN B 30 14.729 -2.963 -5.535 1.00 0.00 C ATOM 1867 C ASN B 30 15.241 -1.974 -6.579 1.00 0.00 C ATOM 1868 O ASN B 30 16.422 -1.627 -6.592 1.00 0.00 O ATOM 1869 CB ASN B 30 14.992 -2.402 -4.133 1.00 0.00 C ATOM 1870 CG ASN B 30 14.194 -3.173 -3.092 1.00 0.00 C ATOM 1871 OD1 ASN B 30 14.793 -4.066 -2.357 1.00 0.00 O flip ATOM 1872 ND2 ASN B 30 12.992 -2.952 -2.941 1.00 0.00 N flip ATOM 0 H ASN B 30 16.233 -4.379 -5.137 1.00 0.00 H new ATOM 0 HA ASN B 30 13.656 -3.115 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN B 30 16.056 -2.464 -3.904 1.00 0.00 H new ATOM 0 HB3 ASN B 30 14.720 -1.347 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN B 30 12.526 -2.252 -3.518 1.00 0.00 H new ATOM 0 HD22 ASN B 30 12.463 -3.469 -2.239 1.00 0.00 H new ATOM 1879 N VAL B 31 14.349 -1.547 -7.470 1.00 0.00 N ATOM 1880 CA VAL B 31 14.722 -0.613 -8.550 1.00 0.00 C ATOM 1881 C VAL B 31 14.154 0.781 -8.278 1.00 0.00 C ATOM 1882 O VAL B 31 12.989 0.928 -7.919 1.00 0.00 O ATOM 1883 CB VAL B 31 14.215 -1.134 -9.909 1.00 0.00 C ATOM 1884 CG1 VAL B 31 14.472 -0.092 -10.996 1.00 0.00 C ATOM 1885 CG2 VAL B 31 14.964 -2.424 -10.252 1.00 0.00 C ATOM 0 H VAL B 31 13.368 -1.826 -7.473 1.00 0.00 H new ATOM 0 HA VAL B 31 15.809 -0.545 -8.582 1.00 0.00 H new ATOM 0 HB VAL B 31 13.144 -1.327 -9.850 1.00 0.00 H new ATOM 0 HG11 VAL B 31 14.111 -0.468 -11.953 1.00 0.00 H new ATOM 0 HG12 VAL B 31 13.947 0.830 -10.747 1.00 0.00 H new ATOM 0 HG13 VAL B 31 15.542 0.106 -11.064 1.00 0.00 H new ATOM 0 HG21 VAL B 31 14.614 -2.803 -11.212 1.00 0.00 H new ATOM 0 HG22 VAL B 31 16.033 -2.220 -10.310 1.00 0.00 H new ATOM 0 HG23 VAL B 31 14.779 -3.169 -9.478 1.00 0.00 H new ATOM 1895 N LEU B 32 14.994 1.806 -8.429 1.00 0.00 N ATOM 1896 CA LEU B 32 14.576 3.188 -8.178 1.00 0.00 C ATOM 1897 C LEU B 32 14.274 3.906 -9.489 1.00 0.00 C ATOM 1898 O LEU B 32 13.947 5.093 -9.482 1.00 0.00 O ATOM 1899 CB LEU B 32 15.694 3.934 -7.444 1.00 0.00 C ATOM 1900 CG LEU B 32 15.965 3.276 -6.082 1.00 0.00 C ATOM 1901 CD1 LEU B 32 17.287 3.812 -5.525 1.00 0.00 C ATOM 1902 CD2 LEU B 32 14.833 3.594 -5.086 1.00 0.00 C ATOM 0 H LEU B 32 15.966 1.707 -8.723 1.00 0.00 H new ATOM 0 HA LEU B 32 13.673 3.171 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU B 32 16.602 3.927 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU B 32 15.413 4.978 -7.303 1.00 0.00 H new ATOM 0 HG LEU B 32 16.017 2.196 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU B 32 17.488 3.351 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU B 32 18.096 3.574 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU B 32 17.219 4.893 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU B 32 15.046 3.118 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU B 32 14.763 4.673 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU B 32 13.888 3.216 -5.477 1.00 0.00 H new ATOM 1914 N SER B 33 14.392 3.170 -10.603 1.00 0.00 N ATOM 1915 CA SER B 33 14.140 3.710 -11.950 1.00 0.00 C ATOM 1916 C SER B 33 13.261 4.965 -11.910 1.00 0.00 C ATOM 1917 O SER B 33 12.040 4.875 -12.026 1.00 0.00 O ATOM 1918 CB SER B 33 13.449 2.648 -12.804 1.00 0.00 C ATOM 1919 OG SER B 33 13.029 3.232 -14.030 1.00 0.00 O ATOM 0 H SER B 33 14.664 2.187 -10.598 1.00 0.00 H new ATOM 0 HA SER B 33 15.103 3.984 -12.380 1.00 0.00 H new ATOM 0 HB2 SER B 33 14.131 1.820 -12.997 1.00 0.00 H new ATOM 0 HB3 SER B 33 12.592 2.237 -12.271 1.00 0.00 H new ATOM 0 HG SER B 33 12.587 2.553 -14.581 1.00 0.00 H new ATOM 1925 N PRO B 34 13.853 6.126 -11.745 1.00 0.00 N ATOM 1926 CA PRO B 34 13.094 7.410 -11.683 1.00 0.00 C ATOM 1927 C PRO B 34 12.264 7.650 -12.941 1.00 0.00 C ATOM 1928 O PRO B 34 12.648 7.252 -14.040 1.00 0.00 O ATOM 1929 CB PRO B 34 14.187 8.487 -11.518 1.00 0.00 C ATOM 1930 CG PRO B 34 15.389 7.755 -11.010 1.00 0.00 C ATOM 1931 CD PRO B 34 15.303 6.347 -11.594 1.00 0.00 C ATOM 0 HA PRO B 34 12.371 7.415 -10.867 1.00 0.00 H new ATOM 0 HB2 PRO B 34 14.399 8.981 -12.466 1.00 0.00 H new ATOM 0 HB3 PRO B 34 13.873 9.262 -10.818 1.00 0.00 H new ATOM 0 HG2 PRO B 34 16.308 8.251 -11.322 1.00 0.00 H new ATOM 0 HG3 PRO B 34 15.396 7.726 -9.920 1.00 0.00 H new ATOM 0 HD2 PRO B 34 15.822 6.277 -12.550 1.00 0.00 H new ATOM 0 HD3 PRO B 34 15.755 5.609 -10.931 1.00 0.00 H new ATOM 1939 N LEU B 35 11.125 8.312 -12.764 1.00 0.00 N ATOM 1940 CA LEU B 35 10.231 8.622 -13.878 1.00 0.00 C ATOM 1941 C LEU B 35 10.464 10.072 -14.320 1.00 0.00 C ATOM 1942 O LEU B 35 10.988 10.868 -13.540 1.00 0.00 O ATOM 1943 CB LEU B 35 8.774 8.433 -13.428 1.00 0.00 C ATOM 1944 CG LEU B 35 8.658 7.174 -12.564 1.00 0.00 C ATOM 1945 CD1 LEU B 35 7.196 6.966 -12.166 1.00 0.00 C ATOM 1946 CD2 LEU B 35 9.142 5.962 -13.362 1.00 0.00 C ATOM 0 H LEU B 35 10.797 8.646 -11.858 1.00 0.00 H new ATOM 0 HA LEU B 35 10.433 7.955 -14.716 1.00 0.00 H new ATOM 0 HB2 LEU B 35 8.442 9.304 -12.864 1.00 0.00 H new ATOM 0 HB3 LEU B 35 8.123 8.350 -14.298 1.00 0.00 H new ATOM 0 HG LEU B 35 9.269 7.289 -11.669 1.00 0.00 H new ATOM 0 HD11 LEU B 35 7.110 6.070 -11.551 1.00 0.00 H new ATOM 0 HD12 LEU B 35 6.847 7.830 -11.600 1.00 0.00 H new ATOM 0 HD13 LEU B 35 6.588 6.850 -13.063 1.00 0.00 H new ATOM 0 HD21 LEU B 35 9.060 5.065 -12.748 1.00 0.00 H new ATOM 0 HD22 LEU B 35 8.529 5.847 -14.256 1.00 0.00 H new ATOM 0 HD23 LEU B 35 10.182 6.109 -13.652 1.00 0.00 H new ATOM 1958 N PRO B 36 10.092 10.454 -15.525 1.00 0.00 N ATOM 1959 CA PRO B 36 10.290 11.860 -15.985 1.00 0.00 C ATOM 1960 C PRO B 36 9.780 12.864 -14.952 1.00 0.00 C ATOM 1961 O PRO B 36 8.748 12.639 -14.320 1.00 0.00 O ATOM 1962 CB PRO B 36 9.472 11.938 -17.282 1.00 0.00 C ATOM 1963 CG PRO B 36 9.440 10.538 -17.805 1.00 0.00 C ATOM 1964 CD PRO B 36 9.470 9.617 -16.579 1.00 0.00 C ATOM 0 HA PRO B 36 11.342 12.106 -16.132 1.00 0.00 H new ATOM 0 HB2 PRO B 36 8.466 12.311 -17.092 1.00 0.00 H new ATOM 0 HB3 PRO B 36 9.933 12.617 -17.999 1.00 0.00 H new ATOM 0 HG2 PRO B 36 8.542 10.366 -18.398 1.00 0.00 H new ATOM 0 HG3 PRO B 36 10.294 10.347 -18.455 1.00 0.00 H new ATOM 0 HD2 PRO B 36 8.468 9.295 -16.295 1.00 0.00 H new ATOM 0 HD3 PRO B 36 10.052 8.715 -16.770 1.00 0.00 H new ATOM 1972 N SER B 37 10.550 13.944 -14.763 1.00 0.00 N ATOM 1973 CA SER B 37 10.237 14.988 -13.780 1.00 0.00 C ATOM 1974 C SER B 37 8.757 15.072 -13.481 1.00 0.00 C ATOM 1975 O SER B 37 8.339 15.297 -12.344 1.00 0.00 O ATOM 1976 CB SER B 37 10.723 16.341 -14.301 1.00 0.00 C ATOM 1977 OG SER B 37 12.111 16.259 -14.595 1.00 0.00 O ATOM 0 H SER B 37 11.407 14.118 -15.288 1.00 0.00 H new ATOM 0 HA SER B 37 10.747 14.727 -12.853 1.00 0.00 H new ATOM 0 HB2 SER B 37 10.166 16.621 -15.195 1.00 0.00 H new ATOM 0 HB3 SER B 37 10.542 17.117 -13.557 1.00 0.00 H new ATOM 0 HG SER B 37 12.426 17.124 -14.931 1.00 0.00 H new ATOM 1983 N GLN B 38 7.982 14.878 -14.520 1.00 0.00 N ATOM 1984 CA GLN B 38 6.528 14.913 -14.420 1.00 0.00 C ATOM 1985 C GLN B 38 5.982 13.491 -14.374 1.00 0.00 C ATOM 1986 O GLN B 38 6.201 12.704 -15.295 1.00 0.00 O ATOM 1987 CB GLN B 38 5.941 15.656 -15.625 1.00 0.00 C ATOM 1988 CG GLN B 38 4.427 15.820 -15.455 1.00 0.00 C ATOM 1989 CD GLN B 38 4.127 16.739 -14.275 1.00 0.00 C ATOM 1990 OE1 GLN B 38 4.816 17.739 -14.076 1.00 0.00 O ATOM 1991 NE2 GLN B 38 3.135 16.457 -13.476 1.00 0.00 N ATOM 0 H GLN B 38 8.332 14.691 -15.460 1.00 0.00 H new ATOM 0 HA GLN B 38 6.244 15.436 -13.507 1.00 0.00 H new ATOM 0 HB2 GLN B 38 6.412 16.634 -15.724 1.00 0.00 H new ATOM 0 HB3 GLN B 38 6.155 15.105 -16.541 1.00 0.00 H new ATOM 0 HG2 GLN B 38 3.994 16.233 -16.366 1.00 0.00 H new ATOM 0 HG3 GLN B 38 3.964 14.846 -15.294 1.00 0.00 H new ATOM 0 HE21 GLN B 38 2.565 15.628 -13.643 1.00 0.00 H new ATOM 0 HE22 GLN B 38 2.929 17.066 -12.684 1.00 0.00 H new ATOM 2000 N ALA B 39 5.271 13.165 -13.296 1.00 0.00 N ATOM 2001 CA ALA B 39 4.696 11.828 -13.134 1.00 0.00 C ATOM 2002 C ALA B 39 3.206 11.845 -13.455 1.00 0.00 C ATOM 2003 O ALA B 39 2.869 11.724 -14.622 1.00 0.00 O ATOM 2004 CB ALA B 39 4.902 11.345 -11.697 1.00 0.00 C ATOM 2005 OXT ALA B 39 2.421 11.976 -12.530 1.00 0.00 O ATOM 0 H ALA B 39 5.079 13.804 -12.524 1.00 0.00 H new ATOM 0 HA ALA B 39 5.198 11.149 -13.823 1.00 0.00 H new ATOM 0 HB1 ALA B 39 4.472 10.350 -11.582 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.969 11.307 -11.475 1.00 0.00 H new ATOM 0 HB3 ALA B 39 4.412 12.033 -11.008 1.00 0.00 H new TER 2011 ALA B 39