USER MOD reduce.3.24.130724 H: found=0, std=0, add=1316, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1316 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 84:sc= 2.06 USER MOD Set 1.2: B 68 SER OG : rot 148:sc= 0.972 USER MOD Set 2.1: A 59 ASN :FLIP amide:sc= 0 F(o=-0.38,f=0.72) USER MOD Set 2.2: B 66 GLN : amide:sc= 0.723 K(o=0.72,f=0.013) USER MOD Set 3.1: B 43 ASN : amide:sc= -0.31 K(o=0.95,f=-0.87!) USER MOD Set 3.2: B 47 THR OG1 : rot -89:sc= 1.26 USER MOD Set 4.1: A 48 SER OG : rot 129:sc= 0.282 USER MOD Set 4.2: B 30 THR OG1 : rot -163:sc= 0.306 USER MOD Set 5.1: A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 5 SER OG : rot 10:sc= -0.192 USER MOD Set 6.1: A 68 SER OG : rot 151:sc= 0.0345 USER MOD Set 6.2: B 42 THR OG1 : rot 81:sc= 1.53 USER MOD Set 7.1: A 43 ASN : amide:sc= 0.228 K(o=1.5,f=-6!) USER MOD Set 7.2: A 46 ASN : amide:sc= 1.29 K(o=1.5,f=-7.5!) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.259 (180deg=-0.951) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.339 (180deg=-1.01) USER MOD Single : A 3 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 14 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.16) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc=-0.00669 (180deg=-0.139) USER MOD Single : A 26 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-4.7!) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.994) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00249 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0477 K(o=-0.048,f=-1.9!) USER MOD Single : A 40 MET CE :methyl 177:sc= 0 (180deg=-0.024) USER MOD Single : A 47 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 53 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.64) USER MOD Single : A 55 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.2) USER MOD Single : A 60 SER OG : rot 69:sc= 0.973 USER MOD Single : A 66 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.065) USER MOD Single : A 67 SER OG : rot 87:sc= 1.27 USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0371 (180deg=-0.278) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -0.485 F(o=-1.6,f=-0.48) USER MOD Single : A 78 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=-0.0082) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.38) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : B 1 MET CE :methyl -158:sc= -0.203 (180deg=-0.757) USER MOD Single : B 1 MET N :NH3+ 175:sc= -0.0268 (180deg=-0.0727) USER MOD Single : B 3 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 7 TYR OH : rot 180:sc= -0.0234 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 14 GLN :FLIP amide:sc= -0.0278 F(o=-1.1,f=-0.028) USER MOD Single : B 21 ASN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= 0.309 K(o=0.31,f=-3.4!) USER MOD Single : B 27 LYS NZ :NH3+ 154:sc= -1.69! (180deg=-2.96!) USER MOD Single : B 33 SER OG : rot 76:sc= 0.688 USER MOD Single : B 35 MET CE :methyl -104:sc= -0.0782 (180deg=-2.57!) USER MOD Single : B 39 ASN :FLIP amide:sc= -0.0363 F(o=-1.2!,f=-0.036) USER MOD Single : B 40 MET CE :methyl -149:sc= -0.161 (180deg=-1.73) USER MOD Single : B 46 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.2) USER MOD Single : B 48 SER OG : rot -74:sc= 1.27 USER MOD Single : B 53 GLN : amide:sc= -0.0147 K(o=-0.015,f=-2.1!) USER MOD Single : B 55 GLN : amide:sc= -0.141 K(o=-0.14,f=-4.7!) USER MOD Single : B 59 ASN : amide:sc= 1.07 K(o=1.1,f=-5.1!) USER MOD Single : B 60 SER OG : rot 78:sc= 1.21 USER MOD Single : B 67 SER OG : rot 88:sc= 1.3 USER MOD Single : B 70 ASN : amide:sc= -0.369 K(o=-0.37,f=-3.3!) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 79 HIS : no HD1:sc=-0.00238 X(o=-0.0024,f=0) USER MOD Single : B 80 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0.04) USER MOD Single : B 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 83 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.987 -10.412 14.077 1.00 0.00 N ATOM 2 CA MET A 1 -13.374 -9.160 14.579 1.00 0.00 C ATOM 3 C MET A 1 -11.888 -9.364 14.882 1.00 0.00 C ATOM 4 O MET A 1 -11.519 -9.961 15.890 1.00 0.00 O ATOM 5 CB MET A 1 -14.138 -8.637 15.812 1.00 0.00 C ATOM 6 CG MET A 1 -14.499 -9.700 16.847 1.00 0.00 C ATOM 7 SD MET A 1 -13.288 -9.853 18.178 1.00 0.00 S ATOM 8 CE MET A 1 -13.406 -8.234 18.935 1.00 0.00 C ATOM 0 H1 MET A 1 -15.020 -10.359 14.182 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.747 -10.538 13.073 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.625 -11.219 14.623 1.00 0.00 H new ATOM 0 HA MET A 1 -13.447 -8.403 13.798 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.534 -7.870 16.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.055 -8.154 15.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.471 -9.461 17.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.600 -10.663 16.347 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.092 -8.296 19.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.760 -7.536 18.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.437 -7.884 18.887 1.00 0.00 H new ATOM 20 N PRO A 2 -11.009 -8.894 13.981 1.00 0.00 N ATOM 21 CA PRO A 2 -9.559 -9.021 14.158 1.00 0.00 C ATOM 22 C PRO A 2 -9.048 -8.181 15.327 1.00 0.00 C ATOM 23 O PRO A 2 -8.357 -8.685 16.212 1.00 0.00 O ATOM 24 CB PRO A 2 -8.986 -8.514 12.830 1.00 0.00 C ATOM 25 CG PRO A 2 -10.049 -7.641 12.255 1.00 0.00 C ATOM 26 CD PRO A 2 -11.358 -8.220 12.717 1.00 0.00 C ATOM 0 HA PRO A 2 -9.263 -10.043 14.393 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.062 -7.958 12.986 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.751 -9.342 12.161 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.936 -6.612 12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.993 -7.624 11.167 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.108 -7.444 12.870 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.767 -8.920 11.988 1.00 0.00 H new ATOM 34 N GLN A 3 -9.413 -6.905 15.334 1.00 0.00 N ATOM 35 CA GLN A 3 -9.004 -5.990 16.387 1.00 0.00 C ATOM 36 C GLN A 3 -9.875 -4.743 16.351 1.00 0.00 C ATOM 37 O GLN A 3 -10.762 -4.621 15.503 1.00 0.00 O ATOM 38 CB GLN A 3 -7.537 -5.579 16.212 1.00 0.00 C ATOM 39 CG GLN A 3 -7.281 -4.807 14.924 1.00 0.00 C ATOM 40 CD GLN A 3 -5.923 -4.133 14.890 1.00 0.00 C ATOM 41 OE1 GLN A 3 -5.763 -3.080 14.276 1.00 0.00 O ATOM 42 NE2 GLN A 3 -4.938 -4.731 15.539 1.00 0.00 N ATOM 0 H GLN A 3 -9.997 -6.479 14.614 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.118 -6.499 17.344 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.234 -4.967 17.061 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.912 -6.472 16.223 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.362 -5.489 14.077 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.057 -4.052 14.801 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.111 -5.604 16.037 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.005 -4.319 15.542 1.00 0.00 H new ATOM 51 N ILE A 4 -9.616 -3.822 17.264 1.00 0.00 N ATOM 52 CA ILE A 4 -10.260 -2.523 17.240 1.00 0.00 C ATOM 53 C ILE A 4 -9.199 -1.433 17.115 1.00 0.00 C ATOM 54 O ILE A 4 -8.263 -1.366 17.915 1.00 0.00 O ATOM 55 CB ILE A 4 -11.150 -2.286 18.489 1.00 0.00 C ATOM 56 CG1 ILE A 4 -11.749 -0.875 18.461 1.00 0.00 C ATOM 57 CG2 ILE A 4 -10.367 -2.518 19.777 1.00 0.00 C ATOM 58 CD1 ILE A 4 -12.704 -0.593 19.602 1.00 0.00 C ATOM 0 H ILE A 4 -8.960 -3.953 18.034 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.922 -2.489 16.375 1.00 0.00 H new ATOM 0 HB ILE A 4 -11.966 -3.008 18.464 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.939 -0.146 18.489 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.274 -0.732 17.517 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.017 -2.344 20.634 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.002 -3.545 19.801 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.522 -1.831 19.818 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.086 0.424 19.514 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -13.535 -1.297 19.564 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.179 -0.702 20.551 1.00 0.00 H new ATOM 70 N SER A 5 -9.320 -0.613 16.085 1.00 0.00 N ATOM 71 CA SER A 5 -8.353 0.442 15.836 1.00 0.00 C ATOM 72 C SER A 5 -8.517 1.572 16.848 1.00 0.00 C ATOM 73 O SER A 5 -9.622 2.069 17.060 1.00 0.00 O ATOM 74 CB SER A 5 -8.523 0.968 14.411 1.00 0.00 C ATOM 75 OG SER A 5 -8.481 -0.100 13.475 1.00 0.00 O ATOM 0 H SER A 5 -10.080 -0.658 15.406 1.00 0.00 H new ATOM 0 HA SER A 5 -7.348 0.035 15.947 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.472 1.498 14.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.735 1.687 14.186 1.00 0.00 H new ATOM 0 HG SER A 5 -8.593 0.255 12.568 1.00 0.00 H new ATOM 81 N ARG A 6 -7.416 1.962 17.481 1.00 0.00 N ATOM 82 CA ARG A 6 -7.450 3.008 18.500 1.00 0.00 C ATOM 83 C ARG A 6 -7.376 4.391 17.869 1.00 0.00 C ATOM 84 O ARG A 6 -7.555 5.407 18.541 1.00 0.00 O ATOM 85 CB ARG A 6 -6.314 2.813 19.503 1.00 0.00 C ATOM 86 CG ARG A 6 -6.364 1.462 20.188 1.00 0.00 C ATOM 87 CD ARG A 6 -5.376 1.372 21.334 1.00 0.00 C ATOM 88 NE ARG A 6 -5.421 0.060 21.973 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.220 -0.242 22.995 1.00 0.00 C ATOM 90 NH1 ARG A 6 -7.031 0.678 23.506 1.00 0.00 N ATOM 91 NH2 ARG A 6 -6.209 -1.462 23.505 1.00 0.00 N ATOM 0 H ARG A 6 -6.490 1.571 17.308 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.399 2.932 19.031 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.359 2.920 18.989 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.361 3.600 20.256 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.372 1.282 20.563 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.149 0.678 19.461 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.369 1.564 20.964 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.598 2.145 22.070 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.804 -0.669 21.615 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.044 1.620 23.116 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.641 0.442 24.289 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.589 -2.172 23.116 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.821 -1.693 24.288 1.00 0.00 H new ATOM 105 N TYR A 7 -7.099 4.426 16.578 1.00 0.00 N ATOM 106 CA TYR A 7 -7.172 5.665 15.829 1.00 0.00 C ATOM 107 C TYR A 7 -8.610 5.898 15.406 1.00 0.00 C ATOM 108 O TYR A 7 -9.175 5.094 14.663 1.00 0.00 O ATOM 109 CB TYR A 7 -6.261 5.625 14.600 1.00 0.00 C ATOM 110 CG TYR A 7 -4.786 5.713 14.923 1.00 0.00 C ATOM 111 CD1 TYR A 7 -4.039 4.573 15.187 1.00 0.00 C ATOM 112 CD2 TYR A 7 -4.140 6.942 14.956 1.00 0.00 C ATOM 113 CE1 TYR A 7 -2.689 4.656 15.473 1.00 0.00 C ATOM 114 CE2 TYR A 7 -2.792 7.034 15.242 1.00 0.00 C ATOM 115 CZ TYR A 7 -2.071 5.888 15.501 1.00 0.00 C ATOM 116 OH TYR A 7 -0.728 5.973 15.783 1.00 0.00 O ATOM 0 H TYR A 7 -6.822 3.612 16.029 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.832 6.483 16.465 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.448 4.701 14.052 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.527 6.448 13.937 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.520 3.606 15.169 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.702 7.842 14.754 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.121 3.760 15.674 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.306 7.998 15.263 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.448 6.912 15.762 1.00 0.00 H new ATOM 126 N SER A 8 -9.197 6.980 15.908 1.00 0.00 N ATOM 127 CA SER A 8 -10.586 7.309 15.632 1.00 0.00 C ATOM 128 C SER A 8 -10.868 7.287 14.134 1.00 0.00 C ATOM 129 O SER A 8 -10.053 7.752 13.330 1.00 0.00 O ATOM 130 CB SER A 8 -10.912 8.685 16.211 1.00 0.00 C ATOM 131 OG SER A 8 -10.609 8.736 17.595 1.00 0.00 O ATOM 0 H SER A 8 -8.723 7.649 16.515 1.00 0.00 H new ATOM 0 HA SER A 8 -11.220 6.558 16.103 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.344 9.450 15.682 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.968 8.908 16.057 1.00 0.00 H new ATOM 0 HG SER A 8 -10.824 9.626 17.944 1.00 0.00 H new ATOM 137 N ASP A 9 -12.024 6.740 13.765 1.00 0.00 N ATOM 138 CA ASP A 9 -12.414 6.643 12.361 1.00 0.00 C ATOM 139 C ASP A 9 -12.459 8.017 11.705 1.00 0.00 C ATOM 140 O ASP A 9 -12.325 8.129 10.490 1.00 0.00 O ATOM 141 CB ASP A 9 -13.764 5.930 12.203 1.00 0.00 C ATOM 142 CG ASP A 9 -14.847 6.475 13.114 1.00 0.00 C ATOM 143 OD1 ASP A 9 -15.194 7.666 13.001 1.00 0.00 O ATOM 144 OD2 ASP A 9 -15.347 5.708 13.962 1.00 0.00 O ATOM 0 H ASP A 9 -12.707 6.357 14.419 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.655 6.047 11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.093 6.018 11.168 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.631 4.867 12.406 1.00 0.00 H new ATOM 149 N GLU A 10 -12.642 9.054 12.522 1.00 0.00 N ATOM 150 CA GLU A 10 -12.560 10.434 12.055 1.00 0.00 C ATOM 151 C GLU A 10 -11.234 10.664 11.342 1.00 0.00 C ATOM 152 O GLU A 10 -11.194 11.008 10.161 1.00 0.00 O ATOM 153 CB GLU A 10 -12.641 11.401 13.235 1.00 0.00 C ATOM 154 CG GLU A 10 -13.780 11.130 14.199 1.00 0.00 C ATOM 155 CD GLU A 10 -13.686 11.994 15.438 1.00 0.00 C ATOM 156 OE1 GLU A 10 -14.199 13.130 15.417 1.00 0.00 O ATOM 157 OE2 GLU A 10 -13.063 11.555 16.429 1.00 0.00 O ATOM 0 H GLU A 10 -12.849 8.961 13.516 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.392 10.611 11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.701 11.362 13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.743 12.416 12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.731 11.314 13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.770 10.079 14.487 1.00 0.00 H new ATOM 164 N GLN A 11 -10.156 10.446 12.086 1.00 0.00 N ATOM 165 CA GLN A 11 -8.799 10.664 11.603 1.00 0.00 C ATOM 166 C GLN A 11 -8.520 9.834 10.357 1.00 0.00 C ATOM 167 O GLN A 11 -8.056 10.358 9.345 1.00 0.00 O ATOM 168 CB GLN A 11 -7.807 10.296 12.705 1.00 0.00 C ATOM 169 CG GLN A 11 -8.010 11.094 13.979 1.00 0.00 C ATOM 170 CD GLN A 11 -7.353 10.456 15.188 1.00 0.00 C ATOM 171 OE1 GLN A 11 -6.343 9.764 15.075 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.939 10.674 16.356 1.00 0.00 N ATOM 0 H GLN A 11 -10.200 10.111 13.048 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.688 11.716 11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.901 9.234 12.930 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.792 10.456 12.341 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.608 12.098 13.841 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.078 11.202 14.167 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.776 11.255 16.406 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.553 10.261 17.205 1.00 0.00 H new ATOM 181 N VAL A 12 -8.826 8.545 10.438 1.00 0.00 N ATOM 182 CA VAL A 12 -8.579 7.622 9.335 1.00 0.00 C ATOM 183 C VAL A 12 -9.329 8.058 8.081 1.00 0.00 C ATOM 184 O VAL A 12 -8.751 8.135 6.995 1.00 0.00 O ATOM 185 CB VAL A 12 -8.998 6.181 9.701 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.638 5.212 8.583 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.356 5.752 11.012 1.00 0.00 C ATOM 0 H VAL A 12 -9.248 8.113 11.260 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.507 7.639 9.139 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.080 6.164 9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.943 4.204 8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.152 5.505 7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.561 5.233 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.664 4.734 11.252 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.271 5.790 10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.673 6.424 11.809 1.00 0.00 H new ATOM 197 N GLU A 13 -10.611 8.362 8.244 1.00 0.00 N ATOM 198 CA GLU A 13 -11.457 8.736 7.122 1.00 0.00 C ATOM 199 C GLU A 13 -10.993 10.046 6.498 1.00 0.00 C ATOM 200 O GLU A 13 -10.785 10.118 5.292 1.00 0.00 O ATOM 201 CB GLU A 13 -12.912 8.860 7.568 1.00 0.00 C ATOM 202 CG GLU A 13 -13.881 9.089 6.422 1.00 0.00 C ATOM 203 CD GLU A 13 -15.291 9.338 6.900 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.905 8.416 7.478 1.00 0.00 O ATOM 205 OE2 GLU A 13 -15.798 10.466 6.710 1.00 0.00 O ATOM 0 H GLU A 13 -11.087 8.356 9.146 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.381 7.950 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.199 7.953 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.997 9.685 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.545 9.941 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.872 8.221 5.763 1.00 0.00 H new ATOM 212 N GLN A 14 -10.810 11.071 7.326 1.00 0.00 N ATOM 213 CA GLN A 14 -10.445 12.394 6.827 1.00 0.00 C ATOM 214 C GLN A 14 -9.094 12.365 6.121 1.00 0.00 C ATOM 215 O GLN A 14 -8.907 13.028 5.102 1.00 0.00 O ATOM 216 CB GLN A 14 -10.426 13.417 7.964 1.00 0.00 C ATOM 217 CG GLN A 14 -11.787 13.639 8.606 1.00 0.00 C ATOM 218 CD GLN A 14 -12.853 14.029 7.602 1.00 0.00 C ATOM 219 OE1 GLN A 14 -13.058 15.208 7.317 1.00 0.00 O ATOM 220 NE2 GLN A 14 -13.545 13.037 7.059 1.00 0.00 N ATOM 0 H GLN A 14 -10.908 11.012 8.340 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.202 12.693 6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.723 13.086 8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.055 14.367 7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.094 12.728 9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.704 14.419 9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.345 12.072 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.278 13.239 6.379 1.00 0.00 H new ATOM 229 N LEU A 15 -8.164 11.582 6.658 1.00 0.00 N ATOM 230 CA LEU A 15 -6.841 11.452 6.065 1.00 0.00 C ATOM 231 C LEU A 15 -6.946 10.754 4.709 1.00 0.00 C ATOM 232 O LEU A 15 -6.432 11.245 3.703 1.00 0.00 O ATOM 233 CB LEU A 15 -5.921 10.667 7.017 1.00 0.00 C ATOM 234 CG LEU A 15 -4.410 10.925 6.878 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.862 10.338 5.588 1.00 0.00 C ATOM 236 CD2 LEU A 15 -4.114 12.416 6.955 1.00 0.00 C ATOM 0 H LEU A 15 -8.304 11.028 7.503 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.412 12.442 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.214 10.897 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.101 9.603 6.865 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.910 10.426 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.793 10.539 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.030 9.261 5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.369 10.793 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.041 12.580 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.637 12.933 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.452 12.805 7.915 1.00 0.00 H new ATOM 248 N LEU A 16 -7.642 9.624 4.687 1.00 0.00 N ATOM 249 CA LEU A 16 -7.797 8.833 3.471 1.00 0.00 C ATOM 250 C LEU A 16 -8.586 9.605 2.414 1.00 0.00 C ATOM 251 O LEU A 16 -8.184 9.672 1.250 1.00 0.00 O ATOM 252 CB LEU A 16 -8.484 7.500 3.808 1.00 0.00 C ATOM 253 CG LEU A 16 -8.591 6.482 2.664 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.593 5.066 3.220 1.00 0.00 C ATOM 255 CD2 LEU A 16 -9.855 6.712 1.845 1.00 0.00 C ATOM 0 H LEU A 16 -8.111 9.232 5.503 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.811 8.626 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.942 7.034 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.489 7.715 4.170 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.727 6.615 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.669 4.353 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.668 4.889 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.443 4.940 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.906 5.978 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.729 6.608 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.835 7.715 1.419 1.00 0.00 H new ATOM 267 N ALA A 17 -9.697 10.201 2.832 1.00 0.00 N ATOM 268 CA ALA A 17 -10.575 10.927 1.921 1.00 0.00 C ATOM 269 C ALA A 17 -9.861 12.113 1.295 1.00 0.00 C ATOM 270 O ALA A 17 -10.060 12.411 0.119 1.00 0.00 O ATOM 271 CB ALA A 17 -11.832 11.392 2.644 1.00 0.00 C ATOM 0 H ALA A 17 -10.013 10.195 3.802 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.861 10.243 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.474 11.931 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.368 10.527 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.556 12.051 3.467 1.00 0.00 H new ATOM 277 N GLU A 18 -9.018 12.779 2.073 1.00 0.00 N ATOM 278 CA GLU A 18 -8.293 13.939 1.578 1.00 0.00 C ATOM 279 C GLU A 18 -7.221 13.509 0.580 1.00 0.00 C ATOM 280 O GLU A 18 -6.963 14.204 -0.403 1.00 0.00 O ATOM 281 CB GLU A 18 -7.679 14.723 2.738 1.00 0.00 C ATOM 282 CG GLU A 18 -7.213 16.118 2.352 1.00 0.00 C ATOM 283 CD GLU A 18 -6.876 16.972 3.555 1.00 0.00 C ATOM 284 OE1 GLU A 18 -7.808 17.504 4.193 1.00 0.00 O ATOM 285 OE2 GLU A 18 -5.682 17.122 3.868 1.00 0.00 O ATOM 0 H GLU A 18 -8.821 12.537 3.044 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.994 14.595 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.413 14.803 3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.832 14.163 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.336 16.039 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.992 16.609 1.769 1.00 0.00 H new ATOM 292 N LEU A 19 -6.614 12.350 0.818 1.00 0.00 N ATOM 293 CA LEU A 19 -5.648 11.792 -0.124 1.00 0.00 C ATOM 294 C LEU A 19 -6.341 11.435 -1.433 1.00 0.00 C ATOM 295 O LEU A 19 -5.830 11.722 -2.518 1.00 0.00 O ATOM 296 CB LEU A 19 -4.957 10.555 0.457 1.00 0.00 C ATOM 297 CG LEU A 19 -4.065 10.814 1.671 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.391 9.526 2.117 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.022 11.880 1.360 1.00 0.00 C ATOM 0 H LEU A 19 -6.772 11.781 1.650 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.886 12.548 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.721 9.830 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.353 10.096 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.693 11.179 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.759 9.727 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.151 8.792 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.779 9.135 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.399 12.047 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.398 11.547 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.522 12.810 1.088 1.00 0.00 H new ATOM 311 N LEU A 20 -7.515 10.816 -1.324 1.00 0.00 N ATOM 312 CA LEU A 20 -8.331 10.512 -2.495 1.00 0.00 C ATOM 313 C LEU A 20 -8.733 11.795 -3.205 1.00 0.00 C ATOM 314 O LEU A 20 -8.744 11.854 -4.429 1.00 0.00 O ATOM 315 CB LEU A 20 -9.582 9.711 -2.109 1.00 0.00 C ATOM 316 CG LEU A 20 -9.465 8.189 -2.263 1.00 0.00 C ATOM 317 CD1 LEU A 20 -9.212 7.819 -3.716 1.00 0.00 C ATOM 318 CD2 LEU A 20 -8.365 7.638 -1.371 1.00 0.00 C ATOM 0 H LEU A 20 -7.921 10.516 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.732 9.902 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.830 9.936 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.416 10.057 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.409 7.741 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.132 6.736 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.039 8.174 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.284 8.281 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.301 6.557 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.413 8.092 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.591 7.869 -0.330 1.00 0.00 H new ATOM 330 N ASN A 21 -9.050 12.820 -2.421 1.00 0.00 N ATOM 331 CA ASN A 21 -9.382 14.136 -2.957 1.00 0.00 C ATOM 332 C ASN A 21 -8.263 14.648 -3.862 1.00 0.00 C ATOM 333 O ASN A 21 -8.516 15.128 -4.964 1.00 0.00 O ATOM 334 CB ASN A 21 -9.618 15.123 -1.810 1.00 0.00 C ATOM 335 CG ASN A 21 -9.902 16.533 -2.289 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.516 16.742 -3.334 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.447 17.513 -1.525 1.00 0.00 N ATOM 0 H ASN A 21 -9.084 12.764 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.293 14.048 -3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.456 14.775 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.741 15.135 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.601 18.484 -1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.942 17.297 -0.665 1.00 0.00 H new ATOM 344 N VAL A 22 -7.027 14.525 -3.389 1.00 0.00 N ATOM 345 CA VAL A 22 -5.861 14.962 -4.151 1.00 0.00 C ATOM 346 C VAL A 22 -5.711 14.156 -5.440 1.00 0.00 C ATOM 347 O VAL A 22 -5.555 14.723 -6.523 1.00 0.00 O ATOM 348 CB VAL A 22 -4.566 14.837 -3.318 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.350 15.239 -4.139 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.659 15.682 -2.058 1.00 0.00 C ATOM 0 H VAL A 22 -6.806 14.124 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.020 16.011 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.450 13.793 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.451 15.142 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.269 14.590 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.457 16.273 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.738 15.582 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.804 16.727 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.501 15.344 -1.455 1.00 0.00 H new ATOM 360 N LEU A 23 -5.775 12.837 -5.324 1.00 0.00 N ATOM 361 CA LEU A 23 -5.602 11.963 -6.479 1.00 0.00 C ATOM 362 C LEU A 23 -6.728 12.154 -7.490 1.00 0.00 C ATOM 363 O LEU A 23 -6.486 12.193 -8.694 1.00 0.00 O ATOM 364 CB LEU A 23 -5.519 10.499 -6.041 1.00 0.00 C ATOM 365 CG LEU A 23 -4.315 10.156 -5.158 1.00 0.00 C ATOM 366 CD1 LEU A 23 -4.282 8.667 -4.861 1.00 0.00 C ATOM 367 CD2 LEU A 23 -3.018 10.594 -5.826 1.00 0.00 C ATOM 0 H LEU A 23 -5.945 12.348 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.664 12.234 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.431 10.244 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.489 9.870 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.415 10.695 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.421 8.440 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.196 8.379 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.206 8.111 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.175 10.342 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.911 10.083 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.039 11.671 -5.991 1.00 0.00 H new ATOM 379 N GLU A 24 -7.952 12.295 -6.996 1.00 0.00 N ATOM 380 CA GLU A 24 -9.107 12.519 -7.859 1.00 0.00 C ATOM 381 C GLU A 24 -9.033 13.904 -8.500 1.00 0.00 C ATOM 382 O GLU A 24 -9.550 14.125 -9.592 1.00 0.00 O ATOM 383 CB GLU A 24 -10.403 12.376 -7.055 1.00 0.00 C ATOM 384 CG GLU A 24 -11.670 12.506 -7.886 1.00 0.00 C ATOM 385 CD GLU A 24 -11.793 11.422 -8.939 1.00 0.00 C ATOM 386 OE1 GLU A 24 -11.291 11.616 -10.066 1.00 0.00 O ATOM 387 OE2 GLU A 24 -12.409 10.374 -8.650 1.00 0.00 O ATOM 0 H GLU A 24 -8.171 12.258 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.100 11.770 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.405 11.405 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.417 13.133 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.537 12.467 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.683 13.482 -8.372 1.00 0.00 H new ATOM 394 N LYS A 25 -8.380 14.832 -7.814 1.00 0.00 N ATOM 395 CA LYS A 25 -8.218 16.193 -8.313 1.00 0.00 C ATOM 396 C LYS A 25 -7.301 16.223 -9.534 1.00 0.00 C ATOM 397 O LYS A 25 -7.510 16.998 -10.466 1.00 0.00 O ATOM 398 CB LYS A 25 -7.650 17.087 -7.207 1.00 0.00 C ATOM 399 CG LYS A 25 -7.422 18.529 -7.621 1.00 0.00 C ATOM 400 CD LYS A 25 -6.946 19.369 -6.448 1.00 0.00 C ATOM 401 CE LYS A 25 -7.990 19.426 -5.342 1.00 0.00 C ATOM 402 NZ LYS A 25 -9.234 20.110 -5.786 1.00 0.00 N ATOM 0 H LYS A 25 -7.951 14.666 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.196 16.568 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.332 17.069 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.704 16.666 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.684 18.568 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.347 18.946 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.019 18.953 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.721 20.379 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.229 18.414 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.577 19.949 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.834 20.309 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.989 21.003 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.750 19.497 -6.449 1.00 0.00 H new ATOM 416 N HIS A 26 -6.290 15.369 -9.527 1.00 0.00 N ATOM 417 CA HIS A 26 -5.330 15.323 -10.623 1.00 0.00 C ATOM 418 C HIS A 26 -5.731 14.260 -11.639 1.00 0.00 C ATOM 419 O HIS A 26 -5.209 14.234 -12.754 1.00 0.00 O ATOM 420 CB HIS A 26 -3.915 15.041 -10.099 1.00 0.00 C ATOM 421 CG HIS A 26 -3.341 16.147 -9.259 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.302 16.949 -9.675 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.658 16.568 -8.012 1.00 0.00 C ATOM 424 CE1 HIS A 26 -2.005 17.812 -8.721 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.815 17.602 -7.701 1.00 0.00 N ATOM 0 H HIS A 26 -6.111 14.700 -8.778 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.330 16.297 -11.112 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.933 14.124 -9.510 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.254 14.862 -10.947 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.433 16.163 -7.379 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.230 18.563 -8.768 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.814 18.124 -6.825 1.00 0.00 H new ATOM 434 N LYS A 27 -6.675 13.405 -11.240 1.00 0.00 N ATOM 435 CA LYS A 27 -7.115 12.263 -12.045 1.00 0.00 C ATOM 436 C LYS A 27 -5.971 11.279 -12.258 1.00 0.00 C ATOM 437 O LYS A 27 -5.231 11.358 -13.239 1.00 0.00 O ATOM 438 CB LYS A 27 -7.717 12.692 -13.394 1.00 0.00 C ATOM 439 CG LYS A 27 -9.148 13.212 -13.301 1.00 0.00 C ATOM 440 CD LYS A 27 -9.220 14.582 -12.649 1.00 0.00 C ATOM 441 CE LYS A 27 -10.658 15.051 -12.471 1.00 0.00 C ATOM 442 NZ LYS A 27 -11.425 14.174 -11.546 1.00 0.00 N ATOM 0 H LYS A 27 -7.158 13.486 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.907 11.767 -11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.088 13.468 -13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.694 11.842 -14.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.579 13.264 -14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.752 12.507 -12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.726 14.548 -11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.676 15.303 -13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.661 16.071 -12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.154 15.074 -13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.207 14.714 -11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.809 13.365 -12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.796 13.829 -10.793 1.00 0.00 H new ATOM 456 N ALA A 28 -5.822 10.362 -11.316 1.00 0.00 N ATOM 457 CA ALA A 28 -4.740 9.394 -11.359 1.00 0.00 C ATOM 458 C ALA A 28 -5.245 8.028 -11.808 1.00 0.00 C ATOM 459 O ALA A 28 -6.204 7.497 -11.250 1.00 0.00 O ATOM 460 CB ALA A 28 -4.073 9.292 -9.997 1.00 0.00 C ATOM 0 H ALA A 28 -6.440 10.268 -10.510 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.005 9.737 -12.087 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.264 8.563 -10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.670 10.265 -9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.806 8.975 -9.256 1.00 0.00 H new ATOM 466 N PRO A 29 -4.615 7.455 -12.842 1.00 0.00 N ATOM 467 CA PRO A 29 -4.944 6.113 -13.328 1.00 0.00 C ATOM 468 C PRO A 29 -4.553 5.037 -12.318 1.00 0.00 C ATOM 469 O PRO A 29 -3.652 5.244 -11.503 1.00 0.00 O ATOM 470 CB PRO A 29 -4.108 5.966 -14.608 1.00 0.00 C ATOM 471 CG PRO A 29 -3.640 7.342 -14.943 1.00 0.00 C ATOM 472 CD PRO A 29 -3.544 8.072 -13.635 1.00 0.00 C ATOM 0 HA PRO A 29 -6.014 5.992 -13.495 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.265 5.293 -14.450 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.703 5.546 -15.419 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.674 7.314 -15.447 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.337 7.839 -15.618 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.568 7.941 -13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.697 9.144 -13.757 1.00 0.00 H new ATOM 480 N THR A 30 -5.213 3.887 -12.390 1.00 0.00 N ATOM 481 CA THR A 30 -4.964 2.793 -11.456 1.00 0.00 C ATOM 482 C THR A 30 -3.504 2.345 -11.501 1.00 0.00 C ATOM 483 O THR A 30 -2.877 2.127 -10.462 1.00 0.00 O ATOM 484 CB THR A 30 -5.879 1.592 -11.765 1.00 0.00 C ATOM 485 OG1 THR A 30 -5.880 1.330 -13.177 1.00 0.00 O ATOM 486 CG2 THR A 30 -7.301 1.859 -11.293 1.00 0.00 C ATOM 0 H THR A 30 -5.928 3.687 -13.089 1.00 0.00 H new ATOM 0 HA THR A 30 -5.184 3.165 -10.455 1.00 0.00 H new ATOM 0 HB THR A 30 -5.494 0.722 -11.233 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.462 0.565 -13.367 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.928 0.997 -11.522 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.301 2.032 -10.217 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.694 2.739 -11.802 1.00 0.00 H new ATOM 494 N ASP A 31 -2.974 2.226 -12.715 1.00 0.00 N ATOM 495 CA ASP A 31 -1.587 1.830 -12.931 1.00 0.00 C ATOM 496 C ASP A 31 -0.640 2.769 -12.197 1.00 0.00 C ATOM 497 O ASP A 31 0.255 2.333 -11.476 1.00 0.00 O ATOM 498 CB ASP A 31 -1.254 1.859 -14.423 1.00 0.00 C ATOM 499 CG ASP A 31 -2.199 1.026 -15.265 1.00 0.00 C ATOM 500 OD1 ASP A 31 -3.399 1.364 -15.325 1.00 0.00 O ATOM 501 OD2 ASP A 31 -1.736 0.059 -15.905 1.00 0.00 O ATOM 0 H ASP A 31 -3.494 2.401 -13.575 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.463 0.818 -12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.280 2.891 -14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.236 1.498 -14.568 1.00 0.00 H new ATOM 506 N LEU A 32 -0.861 4.063 -12.382 1.00 0.00 N ATOM 507 CA LEU A 32 -0.012 5.082 -11.784 1.00 0.00 C ATOM 508 C LEU A 32 -0.204 5.129 -10.273 1.00 0.00 C ATOM 509 O LEU A 32 0.757 5.291 -9.528 1.00 0.00 O ATOM 510 CB LEU A 32 -0.319 6.453 -12.390 1.00 0.00 C ATOM 511 CG LEU A 32 0.573 7.598 -11.900 1.00 0.00 C ATOM 512 CD1 LEU A 32 2.012 7.386 -12.349 1.00 0.00 C ATOM 513 CD2 LEU A 32 0.046 8.934 -12.399 1.00 0.00 C ATOM 0 H LEU A 32 -1.627 4.433 -12.945 1.00 0.00 H new ATOM 0 HA LEU A 32 1.026 4.824 -11.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.228 6.382 -13.474 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.357 6.704 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 32 0.554 7.607 -10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.630 8.210 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.386 6.447 -11.940 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.052 7.349 -13.438 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.692 9.736 -12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.034 8.936 -13.489 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.966 9.089 -12.025 1.00 0.00 H new ATOM 525 N SER A 33 -1.448 4.981 -9.831 1.00 0.00 N ATOM 526 CA SER A 33 -1.771 5.025 -8.411 1.00 0.00 C ATOM 527 C SER A 33 -0.970 3.973 -7.643 1.00 0.00 C ATOM 528 O SER A 33 -0.275 4.292 -6.677 1.00 0.00 O ATOM 529 CB SER A 33 -3.277 4.812 -8.209 1.00 0.00 C ATOM 530 OG SER A 33 -3.649 4.994 -6.854 1.00 0.00 O ATOM 0 H SER A 33 -2.252 4.829 -10.440 1.00 0.00 H new ATOM 0 HA SER A 33 -1.501 6.006 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.832 5.509 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.550 3.807 -8.531 1.00 0.00 H new ATOM 0 HG SER A 33 -4.614 4.853 -6.758 1.00 0.00 H new ATOM 536 N LEU A 34 -1.038 2.726 -8.102 1.00 0.00 N ATOM 537 CA LEU A 34 -0.328 1.633 -7.449 1.00 0.00 C ATOM 538 C LEU A 34 1.182 1.811 -7.576 1.00 0.00 C ATOM 539 O LEU A 34 1.941 1.403 -6.698 1.00 0.00 O ATOM 540 CB LEU A 34 -0.752 0.290 -8.046 1.00 0.00 C ATOM 541 CG LEU A 34 -2.234 -0.055 -7.883 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.548 -1.386 -8.546 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.618 -0.090 -6.410 1.00 0.00 C ATOM 0 H LEU A 34 -1.577 2.449 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.587 1.646 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.510 0.290 -9.109 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.158 -0.499 -7.584 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.822 0.721 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.606 -1.615 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.314 -1.327 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.950 -2.172 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.675 -0.337 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.022 -0.844 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.432 0.886 -5.962 1.00 0.00 H new ATOM 555 N MET A 35 1.608 2.429 -8.670 1.00 0.00 N ATOM 556 CA MET A 35 3.021 2.694 -8.905 1.00 0.00 C ATOM 557 C MET A 35 3.547 3.725 -7.908 1.00 0.00 C ATOM 558 O MET A 35 4.563 3.503 -7.248 1.00 0.00 O ATOM 559 CB MET A 35 3.232 3.191 -10.338 1.00 0.00 C ATOM 560 CG MET A 35 4.685 3.462 -10.694 1.00 0.00 C ATOM 561 SD MET A 35 4.874 4.058 -12.385 1.00 0.00 S ATOM 562 CE MET A 35 6.654 4.232 -12.491 1.00 0.00 C ATOM 0 H MET A 35 0.991 2.758 -9.413 1.00 0.00 H new ATOM 0 HA MET A 35 3.575 1.766 -8.767 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.832 2.451 -11.030 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.657 4.106 -10.482 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.095 4.199 -10.003 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.265 2.548 -10.566 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.926 4.594 -13.483 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.995 4.943 -11.739 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.125 3.265 -12.316 1.00 0.00 H new ATOM 572 N VAL A 36 2.838 4.844 -7.796 1.00 0.00 N ATOM 573 CA VAL A 36 3.231 5.915 -6.886 1.00 0.00 C ATOM 574 C VAL A 36 3.191 5.436 -5.440 1.00 0.00 C ATOM 575 O VAL A 36 4.163 5.600 -4.704 1.00 0.00 O ATOM 576 CB VAL A 36 2.329 7.163 -7.044 1.00 0.00 C ATOM 577 CG1 VAL A 36 2.693 8.231 -6.020 1.00 0.00 C ATOM 578 CG2 VAL A 36 2.437 7.727 -8.452 1.00 0.00 C ATOM 0 H VAL A 36 1.987 5.033 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 36 4.252 6.196 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 36 1.298 6.856 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.045 9.097 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.563 7.830 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.732 8.530 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.796 8.604 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.470 8.011 -8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.123 6.971 -9.172 1.00 0.00 H new ATOM 588 N LEU A 37 2.074 4.829 -5.046 1.00 0.00 N ATOM 589 CA LEU A 37 1.911 4.333 -3.681 1.00 0.00 C ATOM 590 C LEU A 37 2.963 3.280 -3.354 1.00 0.00 C ATOM 591 O LEU A 37 3.498 3.259 -2.249 1.00 0.00 O ATOM 592 CB LEU A 37 0.508 3.749 -3.484 1.00 0.00 C ATOM 593 CG LEU A 37 -0.641 4.757 -3.590 1.00 0.00 C ATOM 594 CD1 LEU A 37 -1.979 4.053 -3.429 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.487 5.856 -2.549 1.00 0.00 C ATOM 0 H LEU A 37 1.269 4.669 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 37 2.042 5.175 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.351 2.965 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.464 3.275 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.608 5.216 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.785 4.782 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.092 3.303 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.020 3.569 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.312 6.562 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.494 5.416 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.456 6.378 -2.708 1.00 0.00 H new ATOM 607 N GLY A 38 3.265 2.421 -4.323 1.00 0.00 N ATOM 608 CA GLY A 38 4.265 1.387 -4.120 1.00 0.00 C ATOM 609 C GLY A 38 5.625 1.958 -3.777 1.00 0.00 C ATOM 610 O GLY A 38 6.223 1.592 -2.763 1.00 0.00 O ATOM 0 H GLY A 38 2.834 2.422 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.940 0.724 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.346 0.781 -5.023 1.00 0.00 H new ATOM 614 N ASN A 39 6.106 2.868 -4.614 1.00 0.00 N ATOM 615 CA ASN A 39 7.397 3.514 -4.391 1.00 0.00 C ATOM 616 C ASN A 39 7.353 4.380 -3.137 1.00 0.00 C ATOM 617 O ASN A 39 8.343 4.492 -2.408 1.00 0.00 O ATOM 618 CB ASN A 39 7.794 4.372 -5.601 1.00 0.00 C ATOM 619 CG ASN A 39 8.129 3.549 -6.834 1.00 0.00 C ATOM 620 OD1 ASN A 39 7.603 2.457 -7.038 1.00 0.00 O ATOM 621 ND2 ASN A 39 9.011 4.074 -7.673 1.00 0.00 N ATOM 0 H ASN A 39 5.621 3.177 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 39 8.144 2.732 -4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.978 5.054 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.655 4.985 -5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.273 3.569 -8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.428 4.983 -7.472 1.00 0.00 H new ATOM 628 N MET A 40 6.193 4.980 -2.893 1.00 0.00 N ATOM 629 CA MET A 40 5.983 5.830 -1.728 1.00 0.00 C ATOM 630 C MET A 40 6.153 5.025 -0.444 1.00 0.00 C ATOM 631 O MET A 40 7.003 5.348 0.386 1.00 0.00 O ATOM 632 CB MET A 40 4.587 6.464 -1.803 1.00 0.00 C ATOM 633 CG MET A 40 4.285 7.486 -0.717 1.00 0.00 C ATOM 634 SD MET A 40 3.841 6.740 0.863 1.00 0.00 S ATOM 635 CE MET A 40 3.330 8.188 1.779 1.00 0.00 C ATOM 0 H MET A 40 5.375 4.891 -3.495 1.00 0.00 H new ATOM 0 HA MET A 40 6.728 6.626 -1.721 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.475 6.945 -2.775 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.841 5.671 -1.752 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.157 8.125 -0.577 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.469 8.128 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.973 7.888 2.764 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.176 8.866 1.890 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.528 8.694 1.242 1.00 0.00 H new ATOM 645 N VAL A 41 5.363 3.961 -0.304 1.00 0.00 N ATOM 646 CA VAL A 41 5.428 3.104 0.876 1.00 0.00 C ATOM 647 C VAL A 41 6.823 2.505 1.023 1.00 0.00 C ATOM 648 O VAL A 41 7.344 2.388 2.134 1.00 0.00 O ATOM 649 CB VAL A 41 4.380 1.966 0.813 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.486 1.053 2.026 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.975 2.538 0.711 1.00 0.00 C ATOM 0 H VAL A 41 4.670 3.673 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 41 5.206 3.727 1.743 1.00 0.00 H new ATOM 0 HB VAL A 41 4.586 1.374 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.738 0.264 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.480 0.608 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.316 1.632 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.253 1.723 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.770 3.158 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.893 3.143 -0.192 1.00 0.00 H new ATOM 661 N THR A 42 7.431 2.157 -0.108 1.00 0.00 N ATOM 662 CA THR A 42 8.777 1.606 -0.118 1.00 0.00 C ATOM 663 C THR A 42 9.761 2.515 0.614 1.00 0.00 C ATOM 664 O THR A 42 10.363 2.111 1.608 1.00 0.00 O ATOM 665 CB THR A 42 9.279 1.381 -1.558 1.00 0.00 C ATOM 666 OG1 THR A 42 8.512 0.350 -2.193 1.00 0.00 O ATOM 667 CG2 THR A 42 10.753 1.006 -1.573 1.00 0.00 C ATOM 0 H THR A 42 7.008 2.249 -1.032 1.00 0.00 H new ATOM 0 HA THR A 42 8.725 0.648 0.400 1.00 0.00 H new ATOM 0 HB THR A 42 9.156 2.315 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.689 0.734 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.079 0.853 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.337 1.808 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.900 0.087 -1.006 1.00 0.00 H new ATOM 675 N ASN A 43 9.911 3.747 0.137 1.00 0.00 N ATOM 676 CA ASN A 43 10.916 4.643 0.692 1.00 0.00 C ATOM 677 C ASN A 43 10.479 5.162 2.058 1.00 0.00 C ATOM 678 O ASN A 43 11.314 5.525 2.887 1.00 0.00 O ATOM 679 CB ASN A 43 11.208 5.811 -0.252 1.00 0.00 C ATOM 680 CG ASN A 43 12.545 6.465 0.058 1.00 0.00 C ATOM 681 OD1 ASN A 43 13.472 5.806 0.531 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.658 7.758 -0.208 1.00 0.00 N ATOM 0 H ASN A 43 9.357 4.143 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 43 11.836 4.071 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.207 5.455 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.413 6.552 -0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.536 8.242 -0.021 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.867 8.269 -0.600 1.00 0.00 H new ATOM 689 N LEU A 44 9.171 5.183 2.292 1.00 0.00 N ATOM 690 CA LEU A 44 8.635 5.579 3.587 1.00 0.00 C ATOM 691 C LEU A 44 9.115 4.616 4.668 1.00 0.00 C ATOM 692 O LEU A 44 9.731 5.028 5.647 1.00 0.00 O ATOM 693 CB LEU A 44 7.102 5.617 3.551 1.00 0.00 C ATOM 694 CG LEU A 44 6.427 6.089 4.843 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.853 7.506 5.188 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.915 6.005 4.709 1.00 0.00 C ATOM 0 H LEU A 44 8.464 4.930 1.602 1.00 0.00 H new ATOM 0 HA LEU A 44 8.996 6.581 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.790 6.272 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.736 4.618 3.313 1.00 0.00 H new ATOM 0 HG LEU A 44 6.742 5.433 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.361 7.820 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.934 7.538 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.570 8.178 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.448 6.343 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.587 6.638 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.624 4.973 4.512 1.00 0.00 H new ATOM 708 N ILE A 45 8.860 3.327 4.469 1.00 0.00 N ATOM 709 CA ILE A 45 9.315 2.308 5.407 1.00 0.00 C ATOM 710 C ILE A 45 10.842 2.221 5.383 1.00 0.00 C ATOM 711 O ILE A 45 11.483 1.947 6.396 1.00 0.00 O ATOM 712 CB ILE A 45 8.708 0.923 5.076 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.178 0.987 5.118 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.218 -0.136 6.045 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.504 -0.329 4.786 1.00 0.00 C ATOM 0 H ILE A 45 8.342 2.964 3.669 1.00 0.00 H new ATOM 0 HA ILE A 45 8.979 2.596 6.403 1.00 0.00 H new ATOM 0 HB ILE A 45 9.020 0.646 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.864 1.305 6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.836 1.748 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.778 -1.101 5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.304 -0.202 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.937 0.136 7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.422 -0.206 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.788 -0.640 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.816 -1.089 5.502 1.00 0.00 H new ATOM 727 N ASN A 46 11.409 2.489 4.217 1.00 0.00 N ATOM 728 CA ASN A 46 12.853 2.432 4.015 1.00 0.00 C ATOM 729 C ASN A 46 13.595 3.413 4.925 1.00 0.00 C ATOM 730 O ASN A 46 14.645 3.084 5.474 1.00 0.00 O ATOM 731 CB ASN A 46 13.180 2.752 2.555 1.00 0.00 C ATOM 732 CG ASN A 46 14.631 2.506 2.198 1.00 0.00 C ATOM 733 OD1 ASN A 46 15.250 1.558 2.679 1.00 0.00 O ATOM 734 ND2 ASN A 46 15.183 3.362 1.352 1.00 0.00 N ATOM 0 H ASN A 46 10.884 2.752 3.383 1.00 0.00 H new ATOM 0 HA ASN A 46 13.183 1.424 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.546 2.147 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.936 3.795 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.158 3.249 1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.633 4.135 0.977 1.00 0.00 H new ATOM 741 N THR A 47 13.049 4.614 5.084 1.00 0.00 N ATOM 742 CA THR A 47 13.749 5.671 5.808 1.00 0.00 C ATOM 743 C THR A 47 13.122 5.980 7.171 1.00 0.00 C ATOM 744 O THR A 47 13.841 6.256 8.137 1.00 0.00 O ATOM 745 CB THR A 47 13.807 6.964 4.971 1.00 0.00 C ATOM 746 OG1 THR A 47 12.493 7.319 4.516 1.00 0.00 O ATOM 747 CG2 THR A 47 14.737 6.797 3.780 1.00 0.00 C ATOM 0 H THR A 47 12.132 4.879 4.725 1.00 0.00 H new ATOM 0 HA THR A 47 14.757 5.296 5.985 1.00 0.00 H new ATOM 0 HB THR A 47 14.195 7.761 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.199 6.679 3.835 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.761 7.723 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.741 6.563 4.133 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.376 5.986 3.147 1.00 0.00 H new ATOM 755 N SER A 48 11.799 5.938 7.257 1.00 0.00 N ATOM 756 CA SER A 48 11.105 6.316 8.485 1.00 0.00 C ATOM 757 C SER A 48 11.126 5.170 9.497 1.00 0.00 C ATOM 758 O SER A 48 11.061 5.393 10.706 1.00 0.00 O ATOM 759 CB SER A 48 9.662 6.735 8.172 1.00 0.00 C ATOM 760 OG SER A 48 9.052 7.376 9.282 1.00 0.00 O ATOM 0 H SER A 48 11.185 5.648 6.496 1.00 0.00 H new ATOM 0 HA SER A 48 11.626 7.165 8.927 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.656 7.407 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.080 5.857 7.893 1.00 0.00 H new ATOM 0 HG SER A 48 8.660 8.226 8.994 1.00 0.00 H new ATOM 766 N ILE A 49 11.232 3.947 8.996 1.00 0.00 N ATOM 767 CA ILE A 49 11.255 2.768 9.849 1.00 0.00 C ATOM 768 C ILE A 49 12.697 2.308 10.073 1.00 0.00 C ATOM 769 O ILE A 49 13.571 2.575 9.246 1.00 0.00 O ATOM 770 CB ILE A 49 10.415 1.622 9.229 1.00 0.00 C ATOM 771 CG1 ILE A 49 8.965 2.077 9.015 1.00 0.00 C ATOM 772 CG2 ILE A 49 10.454 0.369 10.094 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.255 2.494 10.288 1.00 0.00 C ATOM 0 H ILE A 49 11.304 3.746 7.999 1.00 0.00 H new ATOM 0 HA ILE A 49 10.814 3.031 10.811 1.00 0.00 H new ATOM 0 HB ILE A 49 10.855 1.374 8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.957 2.913 8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.406 1.266 8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.854 -0.413 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.484 0.027 10.192 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.051 0.596 11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.236 2.802 10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.229 1.654 10.982 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.789 3.327 10.746 1.00 0.00 H new ATOM 785 N ALA A 50 12.940 1.649 11.205 1.00 0.00 N ATOM 786 CA ALA A 50 14.268 1.152 11.555 1.00 0.00 C ATOM 787 C ALA A 50 14.868 0.309 10.427 1.00 0.00 C ATOM 788 O ALA A 50 14.187 -0.527 9.834 1.00 0.00 O ATOM 789 CB ALA A 50 14.198 0.349 12.840 1.00 0.00 C ATOM 0 H ALA A 50 12.224 1.446 11.902 1.00 0.00 H new ATOM 0 HA ALA A 50 14.922 2.011 11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.192 -0.018 13.094 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.828 0.983 13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.523 -0.496 12.705 1.00 0.00 H new ATOM 795 N PRO A 51 16.166 0.520 10.142 1.00 0.00 N ATOM 796 CA PRO A 51 16.857 -0.064 8.981 1.00 0.00 C ATOM 797 C PRO A 51 16.708 -1.584 8.841 1.00 0.00 C ATOM 798 O PRO A 51 16.571 -2.096 7.731 1.00 0.00 O ATOM 799 CB PRO A 51 18.324 0.295 9.226 1.00 0.00 C ATOM 800 CG PRO A 51 18.275 1.525 10.057 1.00 0.00 C ATOM 801 CD PRO A 51 17.071 1.375 10.940 1.00 0.00 C ATOM 0 HA PRO A 51 16.433 0.324 8.055 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.849 -0.510 9.740 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.851 0.471 8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.183 1.633 10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.194 2.415 9.433 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.326 0.911 11.893 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.616 2.339 11.167 1.00 0.00 H new ATOM 809 N ALA A 52 16.733 -2.303 9.952 1.00 0.00 N ATOM 810 CA ALA A 52 16.712 -3.759 9.893 1.00 0.00 C ATOM 811 C ALA A 52 15.287 -4.298 9.827 1.00 0.00 C ATOM 812 O ALA A 52 14.924 -5.005 8.886 1.00 0.00 O ATOM 813 CB ALA A 52 17.452 -4.352 11.083 1.00 0.00 C ATOM 0 H ALA A 52 16.767 -1.911 10.893 1.00 0.00 H new ATOM 0 HA ALA A 52 17.222 -4.060 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.426 -5.440 11.022 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.488 -4.013 11.073 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.973 -4.029 12.007 1.00 0.00 H new ATOM 819 N GLN A 53 14.467 -3.940 10.806 1.00 0.00 N ATOM 820 CA GLN A 53 13.122 -4.503 10.920 1.00 0.00 C ATOM 821 C GLN A 53 12.145 -3.869 9.931 1.00 0.00 C ATOM 822 O GLN A 53 10.953 -4.177 9.948 1.00 0.00 O ATOM 823 CB GLN A 53 12.592 -4.344 12.346 1.00 0.00 C ATOM 824 CG GLN A 53 12.482 -2.899 12.797 1.00 0.00 C ATOM 825 CD GLN A 53 11.879 -2.761 14.180 1.00 0.00 C ATOM 826 OE1 GLN A 53 11.044 -3.564 14.594 1.00 0.00 O ATOM 827 NE2 GLN A 53 12.310 -1.745 14.910 1.00 0.00 N ATOM 0 H GLN A 53 14.706 -3.265 11.532 1.00 0.00 H new ATOM 0 HA GLN A 53 13.200 -5.563 10.677 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.610 -4.813 12.414 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.249 -4.880 13.031 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.473 -2.444 12.790 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.873 -2.345 12.083 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.004 -1.101 14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.949 -1.605 15.854 1.00 0.00 H new ATOM 836 N ARG A 54 12.641 -2.999 9.059 1.00 0.00 N ATOM 837 CA ARG A 54 11.780 -2.349 8.079 1.00 0.00 C ATOM 838 C ARG A 54 11.251 -3.368 7.070 1.00 0.00 C ATOM 839 O ARG A 54 10.181 -3.187 6.493 1.00 0.00 O ATOM 840 CB ARG A 54 12.509 -1.189 7.383 1.00 0.00 C ATOM 841 CG ARG A 54 13.581 -1.593 6.380 1.00 0.00 C ATOM 842 CD ARG A 54 14.547 -0.439 6.125 1.00 0.00 C ATOM 843 NE ARG A 54 15.053 -0.402 4.749 1.00 0.00 N ATOM 844 CZ ARG A 54 15.907 -1.281 4.217 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.388 -2.287 4.940 1.00 0.00 N ATOM 846 NH2 ARG A 54 16.298 -1.125 2.957 1.00 0.00 N ATOM 0 H ARG A 54 13.624 -2.730 9.010 1.00 0.00 H new ATOM 0 HA ARG A 54 10.924 -1.923 8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.769 -0.575 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.969 -0.562 8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.130 -2.456 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.113 -1.896 5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.044 0.503 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.389 -0.520 6.813 1.00 0.00 H new ATOM 0 HE ARG A 54 14.727 0.356 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.106 -2.396 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.039 -2.951 4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.947 -0.341 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.950 -1.789 2.539 1.00 0.00 H new ATOM 860 N GLN A 55 11.983 -4.461 6.884 1.00 0.00 N ATOM 861 CA GLN A 55 11.512 -5.541 6.027 1.00 0.00 C ATOM 862 C GLN A 55 10.446 -6.364 6.741 1.00 0.00 C ATOM 863 O GLN A 55 9.529 -6.886 6.111 1.00 0.00 O ATOM 864 CB GLN A 55 12.659 -6.450 5.586 1.00 0.00 C ATOM 865 CG GLN A 55 13.579 -5.817 4.557 1.00 0.00 C ATOM 866 CD GLN A 55 14.552 -6.815 3.963 1.00 0.00 C ATOM 867 OE1 GLN A 55 14.961 -7.770 4.621 1.00 0.00 O ATOM 868 NE2 GLN A 55 14.916 -6.613 2.710 1.00 0.00 N ATOM 0 H GLN A 55 12.896 -4.621 7.311 1.00 0.00 H new ATOM 0 HA GLN A 55 11.078 -5.085 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.246 -6.730 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.244 -7.369 5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.980 -5.378 3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.136 -5.003 5.022 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.555 -5.809 2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.558 -7.261 2.255 1.00 0.00 H new ATOM 877 N ALA A 56 10.559 -6.457 8.063 1.00 0.00 N ATOM 878 CA ALA A 56 9.591 -7.194 8.862 1.00 0.00 C ATOM 879 C ALA A 56 8.221 -6.531 8.772 1.00 0.00 C ATOM 880 O ALA A 56 7.200 -7.203 8.621 1.00 0.00 O ATOM 881 CB ALA A 56 10.051 -7.283 10.312 1.00 0.00 C ATOM 0 H ALA A 56 11.313 -6.030 8.602 1.00 0.00 H new ATOM 0 HA ALA A 56 9.513 -8.207 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.315 -7.837 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.011 -7.797 10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.156 -6.279 10.723 1.00 0.00 H new ATOM 887 N ILE A 57 8.210 -5.205 8.841 1.00 0.00 N ATOM 888 CA ILE A 57 6.977 -4.446 8.693 1.00 0.00 C ATOM 889 C ILE A 57 6.452 -4.554 7.261 1.00 0.00 C ATOM 890 O ILE A 57 5.245 -4.595 7.035 1.00 0.00 O ATOM 891 CB ILE A 57 7.171 -2.964 9.086 1.00 0.00 C ATOM 892 CG1 ILE A 57 7.572 -2.874 10.562 1.00 0.00 C ATOM 893 CG2 ILE A 57 5.902 -2.159 8.822 1.00 0.00 C ATOM 894 CD1 ILE A 57 7.718 -1.460 11.077 1.00 0.00 C ATOM 0 H ILE A 57 9.041 -4.635 8.998 1.00 0.00 H new ATOM 0 HA ILE A 57 6.241 -4.875 9.372 1.00 0.00 H new ATOM 0 HB ILE A 57 7.966 -2.538 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.825 -3.393 11.163 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.516 -3.400 10.704 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.065 -1.120 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.653 -2.210 7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.081 -2.572 9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.003 -1.483 12.129 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.487 -0.942 10.504 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.769 -0.934 10.970 1.00 0.00 H new ATOM 906 N ALA A 58 7.366 -4.623 6.298 1.00 0.00 N ATOM 907 CA ALA A 58 6.988 -4.851 4.908 1.00 0.00 C ATOM 908 C ALA A 58 6.290 -6.203 4.764 1.00 0.00 C ATOM 909 O ALA A 58 5.314 -6.336 4.026 1.00 0.00 O ATOM 910 CB ALA A 58 8.208 -4.777 4.001 1.00 0.00 C ATOM 0 H ALA A 58 8.369 -4.525 6.454 1.00 0.00 H new ATOM 0 HA ALA A 58 6.292 -4.068 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.905 -4.950 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.664 -3.791 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.930 -5.537 4.299 1.00 0.00 H new ATOM 916 N ASN A 59 6.793 -7.200 5.489 1.00 0.00 N ATOM 917 CA ASN A 59 6.155 -8.514 5.535 1.00 0.00 C ATOM 918 C ASN A 59 4.784 -8.400 6.186 1.00 0.00 C ATOM 919 O ASN A 59 3.812 -8.995 5.724 1.00 0.00 O ATOM 920 CB ASN A 59 6.999 -9.523 6.327 1.00 0.00 C ATOM 921 CG ASN A 59 8.183 -10.086 5.557 1.00 0.00 C ATOM 922 OD1 ASN A 59 8.806 -9.278 4.717 1.00 0.00 O flip ATOM 923 ND2 ASN A 59 8.548 -11.249 5.735 1.00 0.00 N flip ATOM 0 H ASN A 59 7.640 -7.123 6.052 1.00 0.00 H new ATOM 0 HA ASN A 59 6.059 -8.870 4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.366 -9.041 7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.359 -10.348 6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.045 -11.847 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.353 -11.614 5.227 1.00 0.00 H new ATOM 930 N SER A 60 4.719 -7.619 7.259 1.00 0.00 N ATOM 931 CA SER A 60 3.476 -7.419 7.994 1.00 0.00 C ATOM 932 C SER A 60 2.428 -6.749 7.107 1.00 0.00 C ATOM 933 O SER A 60 1.247 -7.083 7.167 1.00 0.00 O ATOM 934 CB SER A 60 3.729 -6.564 9.238 1.00 0.00 C ATOM 935 OG SER A 60 4.779 -7.101 10.028 1.00 0.00 O ATOM 0 H SER A 60 5.518 -7.112 7.640 1.00 0.00 H new ATOM 0 HA SER A 60 3.100 -8.394 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.981 -5.547 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.817 -6.505 9.833 1.00 0.00 H new ATOM 0 HG SER A 60 5.630 -7.005 9.551 1.00 0.00 H new ATOM 941 N PHE A 61 2.875 -5.806 6.281 1.00 0.00 N ATOM 942 CA PHE A 61 1.995 -5.103 5.356 1.00 0.00 C ATOM 943 C PHE A 61 1.391 -6.086 4.356 1.00 0.00 C ATOM 944 O PHE A 61 0.193 -6.048 4.077 1.00 0.00 O ATOM 945 CB PHE A 61 2.776 -4.004 4.623 1.00 0.00 C ATOM 946 CG PHE A 61 1.917 -3.066 3.820 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.289 -1.991 4.430 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.742 -3.254 2.457 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.504 -1.122 3.698 1.00 0.00 C ATOM 950 CE2 PHE A 61 0.956 -2.387 1.720 1.00 0.00 C ATOM 951 CZ PHE A 61 0.336 -1.320 2.341 1.00 0.00 C ATOM 0 H PHE A 61 3.850 -5.511 6.235 1.00 0.00 H new ATOM 0 HA PHE A 61 1.185 -4.640 5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.340 -3.425 5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.502 -4.472 3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.415 -1.831 5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.225 -4.086 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.022 -0.288 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.827 -2.544 0.659 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.279 -0.642 1.767 1.00 0.00 H new ATOM 961 N ALA A 62 2.228 -6.978 3.837 1.00 0.00 N ATOM 962 CA ALA A 62 1.775 -8.017 2.921 1.00 0.00 C ATOM 963 C ALA A 62 0.763 -8.929 3.607 1.00 0.00 C ATOM 964 O ALA A 62 -0.321 -9.185 3.079 1.00 0.00 O ATOM 965 CB ALA A 62 2.960 -8.825 2.417 1.00 0.00 C ATOM 0 H ALA A 62 3.228 -7.001 4.037 1.00 0.00 H new ATOM 0 HA ALA A 62 1.288 -7.542 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.609 -9.598 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.654 -8.166 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.468 -9.291 3.261 1.00 0.00 H new ATOM 971 N ARG A 63 1.135 -9.406 4.791 1.00 0.00 N ATOM 972 CA ARG A 63 0.270 -10.238 5.608 1.00 0.00 C ATOM 973 C ARG A 63 -1.074 -9.554 5.864 1.00 0.00 C ATOM 974 O ARG A 63 -2.126 -10.193 5.805 1.00 0.00 O ATOM 975 CB ARG A 63 0.969 -10.546 6.936 1.00 0.00 C ATOM 976 CG ARG A 63 0.255 -11.594 7.763 1.00 0.00 C ATOM 977 CD ARG A 63 0.136 -12.891 6.990 1.00 0.00 C ATOM 978 NE ARG A 63 1.414 -13.597 6.879 1.00 0.00 N ATOM 979 CZ ARG A 63 1.529 -14.925 6.868 1.00 0.00 C ATOM 980 NH1 ARG A 63 0.450 -15.690 7.001 1.00 0.00 N ATOM 981 NH2 ARG A 63 2.721 -15.489 6.732 1.00 0.00 N ATOM 0 H ARG A 63 2.048 -9.224 5.208 1.00 0.00 H new ATOM 0 HA ARG A 63 0.073 -11.167 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.985 -10.884 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.049 -9.628 7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.800 -11.766 8.691 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.737 -11.235 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.591 -13.538 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.247 -12.681 5.991 1.00 0.00 H new ATOM 0 HE ARG A 63 2.266 -13.040 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.469 -15.261 7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.541 -16.706 6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.553 -14.907 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.806 -16.505 6.724 1.00 0.00 H new ATOM 995 N ALA A 64 -1.027 -8.257 6.142 1.00 0.00 N ATOM 996 CA ALA A 64 -2.230 -7.478 6.409 1.00 0.00 C ATOM 997 C ALA A 64 -3.176 -7.498 5.215 1.00 0.00 C ATOM 998 O ALA A 64 -4.360 -7.799 5.362 1.00 0.00 O ATOM 999 CB ALA A 64 -1.864 -6.047 6.771 1.00 0.00 C ATOM 0 H ALA A 64 -0.162 -7.719 6.189 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.746 -7.934 7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.772 -5.478 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.236 -6.046 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.321 -5.590 5.944 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.642 -7.205 4.032 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.443 -7.177 2.808 1.00 0.00 C ATOM 1007 C LEU A 65 -4.055 -8.542 2.511 1.00 0.00 C ATOM 1008 O LEU A 65 -5.178 -8.636 2.020 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.599 -6.718 1.615 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.623 -5.214 1.323 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -2.136 -4.413 2.520 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.779 -4.905 0.097 1.00 0.00 C ATOM 0 H LEU A 65 -1.656 -6.983 3.893 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.252 -6.464 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.566 -7.019 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.942 -7.247 0.726 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.655 -4.923 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.165 -3.350 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.780 -4.611 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.113 -4.704 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.804 -3.833 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.750 -5.218 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.177 -5.442 -0.764 1.00 0.00 H new ATOM 1024 N GLN A 66 -3.319 -9.601 2.817 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.803 -10.957 2.576 1.00 0.00 C ATOM 1026 C GLN A 66 -4.819 -11.371 3.637 1.00 0.00 C ATOM 1027 O GLN A 66 -5.499 -12.390 3.499 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.634 -11.943 2.540 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.625 -11.644 1.441 1.00 0.00 C ATOM 1030 CD GLN A 66 -2.230 -11.717 0.050 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -2.234 -12.770 -0.583 1.00 0.00 O ATOM 1032 NE2 GLN A 66 -2.744 -10.597 -0.438 1.00 0.00 N ATOM 0 H GLN A 66 -2.388 -9.550 3.231 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.301 -10.972 1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.125 -11.927 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.023 -12.952 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.207 -10.650 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.799 -12.352 1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.722 -9.742 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.161 -10.590 -1.369 1.00 0.00 H new ATOM 1041 N SER A 67 -4.925 -10.576 4.692 1.00 0.00 N ATOM 1042 CA SER A 67 -5.892 -10.831 5.749 1.00 0.00 C ATOM 1043 C SER A 67 -7.156 -10.005 5.523 1.00 0.00 C ATOM 1044 O SER A 67 -8.266 -10.454 5.817 1.00 0.00 O ATOM 1045 CB SER A 67 -5.281 -10.508 7.113 1.00 0.00 C ATOM 1046 OG SER A 67 -4.088 -11.248 7.321 1.00 0.00 O ATOM 0 H SER A 67 -4.351 -9.746 4.839 1.00 0.00 H new ATOM 0 HA SER A 67 -6.161 -11.887 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.068 -9.441 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.998 -10.738 7.901 1.00 0.00 H new ATOM 0 HG SER A 67 -3.329 -10.758 6.942 1.00 0.00 H new ATOM 1052 N SER A 68 -6.982 -8.800 4.995 1.00 0.00 N ATOM 1053 CA SER A 68 -8.107 -7.929 4.693 1.00 0.00 C ATOM 1054 C SER A 68 -8.802 -8.380 3.411 1.00 0.00 C ATOM 1055 O SER A 68 -10.028 -8.496 3.364 1.00 0.00 O ATOM 1056 CB SER A 68 -7.627 -6.481 4.576 1.00 0.00 C ATOM 1057 OG SER A 68 -6.491 -6.387 3.731 1.00 0.00 O ATOM 0 H SER A 68 -6.070 -8.404 4.767 1.00 0.00 H new ATOM 0 HA SER A 68 -8.831 -7.989 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.430 -5.859 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.381 -6.095 5.565 1.00 0.00 H new ATOM 0 HG SER A 68 -6.473 -5.505 3.305 1.00 0.00 H new ATOM 1063 N ILE A 69 -8.014 -8.645 2.377 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.546 -9.150 1.123 1.00 0.00 C ATOM 1065 C ILE A 69 -8.712 -10.662 1.207 1.00 0.00 C ATOM 1066 O ILE A 69 -7.748 -11.415 1.056 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.634 -8.787 -0.072 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -7.461 -7.268 -0.165 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -8.205 -9.339 -1.373 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -6.527 -6.822 -1.272 1.00 0.00 C ATOM 0 H ILE A 69 -7.002 -8.517 2.385 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.515 -8.680 0.956 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.656 -9.240 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.438 -6.810 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.083 -6.896 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.548 -9.072 -2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.281 -10.424 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.195 -8.916 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.457 -5.734 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.538 -7.249 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.914 -7.161 -2.233 1.00 0.00 H new ATOM 1082 N ASN A 70 -9.934 -11.099 1.484 1.00 0.00 N ATOM 1083 CA ASN A 70 -10.228 -12.520 1.638 1.00 0.00 C ATOM 1084 C ASN A 70 -9.994 -13.265 0.331 1.00 0.00 C ATOM 1085 O ASN A 70 -10.347 -12.774 -0.740 1.00 0.00 O ATOM 1086 CB ASN A 70 -11.672 -12.731 2.103 1.00 0.00 C ATOM 1087 CG ASN A 70 -11.951 -12.125 3.469 1.00 0.00 C ATOM 1088 OD1 ASN A 70 -10.943 -12.084 4.329 1.00 0.00 O flip ATOM 1089 ND2 ASN A 70 -13.069 -11.698 3.752 1.00 0.00 N flip ATOM 0 H ASN A 70 -10.741 -10.488 1.607 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.553 -12.918 2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.351 -12.293 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.885 -13.800 2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.822 -11.745 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.243 -11.296 4.673 1.00 0.00 H new ATOM 1096 N GLU A 71 -9.400 -14.446 0.425 1.00 0.00 N ATOM 1097 CA GLU A 71 -9.058 -15.233 -0.753 1.00 0.00 C ATOM 1098 C GLU A 71 -10.307 -15.822 -1.410 1.00 0.00 C ATOM 1099 O GLU A 71 -10.309 -16.133 -2.602 1.00 0.00 O ATOM 1100 CB GLU A 71 -8.079 -16.344 -0.365 1.00 0.00 C ATOM 1101 CG GLU A 71 -7.519 -17.109 -1.550 1.00 0.00 C ATOM 1102 CD GLU A 71 -6.387 -18.034 -1.164 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -5.269 -17.536 -0.906 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -6.606 -19.261 -1.121 1.00 0.00 O ATOM 0 H GLU A 71 -9.143 -14.883 1.310 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.584 -14.575 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.253 -15.908 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.584 -17.044 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.317 -17.691 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.165 -16.401 -2.300 1.00 0.00 H new ATOM 1111 N ASP A 72 -11.368 -15.968 -0.629 1.00 0.00 N ATOM 1112 CA ASP A 72 -12.630 -16.476 -1.149 1.00 0.00 C ATOM 1113 C ASP A 72 -13.362 -15.368 -1.901 1.00 0.00 C ATOM 1114 O ASP A 72 -13.160 -14.185 -1.616 1.00 0.00 O ATOM 1115 CB ASP A 72 -13.503 -17.018 -0.013 1.00 0.00 C ATOM 1116 CG ASP A 72 -14.761 -17.701 -0.519 1.00 0.00 C ATOM 1117 OD1 ASP A 72 -14.676 -18.881 -0.922 1.00 0.00 O ATOM 1118 OD2 ASP A 72 -15.834 -17.063 -0.522 1.00 0.00 O ATOM 0 H ASP A 72 -11.380 -15.742 0.366 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.422 -17.295 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.923 -17.725 0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.780 -16.198 0.650 1.00 0.00 H new ATOM 1123 N LYS A 73 -14.203 -15.748 -2.856 1.00 0.00 N ATOM 1124 CA LYS A 73 -14.930 -14.778 -3.673 1.00 0.00 C ATOM 1125 C LYS A 73 -16.013 -14.072 -2.859 1.00 0.00 C ATOM 1126 O LYS A 73 -16.570 -13.064 -3.302 1.00 0.00 O ATOM 1127 CB LYS A 73 -15.545 -15.467 -4.895 1.00 0.00 C ATOM 1128 CG LYS A 73 -16.561 -16.539 -4.543 1.00 0.00 C ATOM 1129 CD LYS A 73 -16.961 -17.353 -5.761 1.00 0.00 C ATOM 1130 CE LYS A 73 -17.988 -18.416 -5.404 1.00 0.00 C ATOM 1131 NZ LYS A 73 -17.499 -19.333 -4.342 1.00 0.00 N ATOM 0 H LYS A 73 -14.400 -16.722 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.220 -14.024 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.025 -14.715 -5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.748 -15.915 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.144 -17.201 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.446 -16.074 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.370 -16.691 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.078 -17.827 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.907 -17.934 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.236 -18.993 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.134 -20.153 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.539 -19.657 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.481 -18.831 -3.431 1.00 0.00 H new ATOM 1145 N ALA A 74 -16.299 -14.623 -1.677 1.00 0.00 N ATOM 1146 CA ALA A 74 -17.259 -14.058 -0.730 1.00 0.00 C ATOM 1147 C ALA A 74 -18.700 -14.258 -1.188 1.00 0.00 C ATOM 1148 O ALA A 74 -18.981 -14.427 -2.377 1.00 0.00 O ATOM 1149 CB ALA A 74 -16.979 -12.583 -0.461 1.00 0.00 C ATOM 0 H ALA A 74 -15.864 -15.485 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.132 -14.603 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -17.712 -12.197 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.978 -12.473 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -17.046 -12.024 -1.394 1.00 0.00 H new ATOM 1155 N HIS A 75 -19.604 -14.258 -0.223 1.00 0.00 N ATOM 1156 CA HIS A 75 -21.029 -14.391 -0.487 1.00 0.00 C ATOM 1157 C HIS A 75 -21.828 -13.641 0.563 1.00 0.00 C ATOM 1158 O HIS A 75 -22.835 -13.004 0.249 1.00 0.00 O ATOM 1159 CB HIS A 75 -21.454 -15.862 -0.499 1.00 0.00 C ATOM 1160 CG HIS A 75 -21.456 -16.479 -1.861 1.00 0.00 C ATOM 1161 ND1 HIS A 75 -22.262 -16.259 -2.927 1.00 0.00 N flip ATOM 1162 CD2 HIS A 75 -20.570 -17.461 -2.250 1.00 0.00 C flip ATOM 1163 CE1 HIS A 75 -21.854 -17.104 -3.926 1.00 0.00 C flip ATOM 1164 NE2 HIS A 75 -20.834 -17.819 -3.494 1.00 0.00 N flip ATOM 0 H HIS A 75 -19.372 -14.166 0.766 1.00 0.00 H new ATOM 0 HA HIS A 75 -21.228 -13.965 -1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -20.783 -16.430 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -22.453 -15.945 -0.071 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -23.030 -15.589 -2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.784 -17.873 -1.635 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -22.297 -17.173 -4.909 1.00 0.00 H new ATOM 1173 N LEU A 76 -21.350 -13.717 1.806 1.00 0.00 N ATOM 1174 CA LEU A 76 -22.012 -13.103 2.956 1.00 0.00 C ATOM 1175 C LEU A 76 -23.318 -13.825 3.274 1.00 0.00 C ATOM 1176 O LEU A 76 -23.895 -14.511 2.426 1.00 0.00 O ATOM 1177 CB LEU A 76 -22.276 -11.603 2.737 1.00 0.00 C ATOM 1178 CG LEU A 76 -21.050 -10.682 2.820 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -20.126 -10.874 1.625 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -21.489 -9.230 2.918 1.00 0.00 C ATOM 0 H LEU A 76 -20.489 -14.209 2.043 1.00 0.00 H new ATOM 0 HA LEU A 76 -21.335 -13.199 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -22.735 -11.475 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -23.005 -11.271 3.476 1.00 0.00 H new ATOM 0 HG LEU A 76 -20.493 -10.948 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.269 -10.207 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -19.780 -11.907 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -20.667 -10.646 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.610 -8.587 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -22.074 -8.966 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -22.098 -9.094 3.812 1.00 0.00 H new ATOM 1192 N GLU A 77 -23.765 -13.699 4.507 1.00 0.00 N ATOM 1193 CA GLU A 77 -25.032 -14.279 4.905 1.00 0.00 C ATOM 1194 C GLU A 77 -26.128 -13.230 4.787 1.00 0.00 C ATOM 1195 O GLU A 77 -25.872 -12.034 4.944 1.00 0.00 O ATOM 1196 CB GLU A 77 -24.946 -14.835 6.329 1.00 0.00 C ATOM 1197 CG GLU A 77 -24.548 -13.808 7.376 1.00 0.00 C ATOM 1198 CD GLU A 77 -24.304 -14.436 8.735 1.00 0.00 C ATOM 1199 OE1 GLU A 77 -25.278 -14.894 9.368 1.00 0.00 O ATOM 1200 OE2 GLU A 77 -23.135 -14.472 9.174 1.00 0.00 O ATOM 0 H GLU A 77 -23.272 -13.202 5.249 1.00 0.00 H new ATOM 0 HA GLU A 77 -25.273 -15.111 4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -25.913 -15.258 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -24.225 -15.652 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -23.646 -13.291 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -25.333 -13.056 7.461 1.00 0.00 H new ATOM 1207 N HIS A 78 -27.338 -13.670 4.483 1.00 0.00 N ATOM 1208 CA HIS A 78 -28.452 -12.750 4.310 1.00 0.00 C ATOM 1209 C HIS A 78 -28.985 -12.292 5.654 1.00 0.00 C ATOM 1210 O HIS A 78 -29.613 -13.061 6.381 1.00 0.00 O ATOM 1211 CB HIS A 78 -29.571 -13.381 3.479 1.00 0.00 C ATOM 1212 CG HIS A 78 -29.309 -13.349 2.003 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -29.434 -14.449 1.183 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -28.938 -12.324 1.198 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -29.151 -14.106 -0.059 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -28.848 -12.823 -0.080 1.00 0.00 N ATOM 0 H HIS A 78 -27.574 -14.653 4.351 1.00 0.00 H new ATOM 0 HA HIS A 78 -28.080 -11.880 3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -29.708 -14.416 3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -30.505 -12.859 3.686 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -28.748 -11.306 1.503 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -29.165 -14.765 -0.914 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -28.589 -12.288 -0.909 1.00 0.00 H new ATOM 1225 N HIS A 79 -28.715 -11.036 5.981 1.00 0.00 N ATOM 1226 CA HIS A 79 -29.190 -10.449 7.224 1.00 0.00 C ATOM 1227 C HIS A 79 -30.705 -10.294 7.158 1.00 0.00 C ATOM 1228 O HIS A 79 -31.394 -10.302 8.179 1.00 0.00 O ATOM 1229 CB HIS A 79 -28.512 -9.097 7.467 1.00 0.00 C ATOM 1230 CG HIS A 79 -28.646 -8.597 8.873 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -29.397 -7.498 9.215 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -28.098 -9.047 10.026 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -29.304 -7.290 10.515 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -28.520 -8.216 11.033 1.00 0.00 N ATOM 0 H HIS A 79 -28.167 -10.402 5.399 1.00 0.00 H new ATOM 0 HA HIS A 79 -28.937 -11.104 8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -27.454 -9.183 7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -28.939 -8.360 6.787 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -27.448 -9.903 10.134 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -29.788 -6.495 11.063 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -28.269 -8.300 12.018 1.00 0.00 H new ATOM 1243 N HIS A 80 -31.208 -10.152 5.937 1.00 0.00 N ATOM 1244 CA HIS A 80 -32.636 -10.174 5.683 1.00 0.00 C ATOM 1245 C HIS A 80 -32.890 -10.626 4.243 1.00 0.00 C ATOM 1246 O HIS A 80 -32.588 -11.771 3.900 1.00 0.00 O ATOM 1247 CB HIS A 80 -33.277 -8.804 5.950 1.00 0.00 C ATOM 1248 CG HIS A 80 -34.774 -8.854 6.044 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -35.617 -8.334 5.080 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -35.579 -9.371 6.999 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -36.870 -8.533 5.442 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -36.872 -9.158 6.600 1.00 0.00 N ATOM 0 H HIS A 80 -30.637 -10.019 5.102 1.00 0.00 H new ATOM 0 HA HIS A 80 -33.101 -10.883 6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -32.876 -8.398 6.879 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -32.993 -8.117 5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -35.262 -9.861 7.908 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -37.745 -8.234 4.883 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -37.704 -9.439 7.118 1.00 0.00 H new ATOM 1261 N HIS A 81 -33.376 -9.706 3.398 1.00 0.00 N ATOM 1262 CA HIS A 81 -33.779 -10.003 2.016 1.00 0.00 C ATOM 1263 C HIS A 81 -34.917 -11.026 1.982 1.00 0.00 C ATOM 1264 O HIS A 81 -36.042 -10.705 1.613 1.00 0.00 O ATOM 1265 CB HIS A 81 -32.586 -10.494 1.185 1.00 0.00 C ATOM 1266 CG HIS A 81 -32.850 -10.514 -0.290 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -32.700 -9.408 -1.098 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -33.251 -11.517 -1.108 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -32.996 -9.728 -2.341 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -33.333 -11.004 -2.378 1.00 0.00 N ATOM 0 H HIS A 81 -33.501 -8.727 3.656 1.00 0.00 H new ATOM 0 HA HIS A 81 -34.142 -9.076 1.572 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -31.727 -9.853 1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -32.316 -11.498 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -33.467 -12.534 -0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -32.968 -9.059 -3.188 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -33.609 -11.522 -3.212 1.00 0.00 H new ATOM 1279 N HIS A 82 -34.610 -12.250 2.370 1.00 0.00 N ATOM 1280 CA HIS A 82 -35.603 -13.301 2.492 1.00 0.00 C ATOM 1281 C HIS A 82 -35.451 -13.962 3.853 1.00 0.00 C ATOM 1282 O HIS A 82 -34.733 -14.952 4.006 1.00 0.00 O ATOM 1283 CB HIS A 82 -35.459 -14.326 1.361 1.00 0.00 C ATOM 1284 CG HIS A 82 -36.417 -15.474 1.460 1.00 0.00 C ATOM 1285 ND1 HIS A 82 -37.761 -15.360 1.183 1.00 0.00 N ATOM 1286 CD2 HIS A 82 -36.218 -16.764 1.819 1.00 0.00 C ATOM 1287 CE1 HIS A 82 -38.348 -16.527 1.369 1.00 0.00 C ATOM 1288 NE2 HIS A 82 -37.433 -17.395 1.755 1.00 0.00 N ATOM 0 H HIS A 82 -33.663 -12.544 2.610 1.00 0.00 H new ATOM 0 HA HIS A 82 -36.601 -12.870 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -35.607 -13.822 0.406 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -34.440 -14.714 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -35.277 -17.212 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -39.398 -16.736 1.229 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -37.602 -18.377 1.971 1.00 0.00 H new ATOM 1297 N HIS A 83 -36.107 -13.378 4.842 1.00 0.00 N ATOM 1298 CA HIS A 83 -35.993 -13.825 6.219 1.00 0.00 C ATOM 1299 C HIS A 83 -37.041 -13.109 7.060 1.00 0.00 C ATOM 1300 O HIS A 83 -36.713 -12.064 7.647 1.00 0.00 O ATOM 1301 CB HIS A 83 -34.580 -13.531 6.754 1.00 0.00 C ATOM 1302 CG HIS A 83 -34.293 -14.101 8.113 1.00 0.00 C ATOM 1303 ND1 HIS A 83 -33.351 -15.084 8.332 1.00 0.00 N ATOM 1304 CD2 HIS A 83 -34.808 -13.804 9.329 1.00 0.00 C ATOM 1305 CE1 HIS A 83 -33.304 -15.366 9.620 1.00 0.00 C ATOM 1306 NE2 HIS A 83 -34.175 -14.602 10.247 1.00 0.00 N ATOM 1307 OXT HIS A 83 -38.196 -13.578 7.096 1.00 0.00 O ATOM 0 H HIS A 83 -36.732 -12.582 4.713 1.00 0.00 H new ATOM 0 HA HIS A 83 -36.161 -14.901 6.273 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -33.849 -13.925 6.048 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -34.437 -12.451 6.790 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -35.576 -13.074 9.538 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -32.660 -16.099 10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -34.350 -14.604 11.252 1.00 0.00 H new TER 1316 HIS A 83 ATOM 1317 N MET B 1 20.207 -1.286 -15.113 1.00 0.00 N ATOM 1318 CA MET B 1 19.011 -0.755 -15.799 1.00 0.00 C ATOM 1319 C MET B 1 17.740 -1.137 -15.043 1.00 0.00 C ATOM 1320 O MET B 1 17.374 -2.310 -14.969 1.00 0.00 O ATOM 1321 CB MET B 1 18.952 -1.250 -17.252 1.00 0.00 C ATOM 1322 CG MET B 1 18.995 -2.762 -17.405 1.00 0.00 C ATOM 1323 SD MET B 1 18.876 -3.290 -19.127 1.00 0.00 S ATOM 1324 CE MET B 1 17.258 -2.659 -19.564 1.00 0.00 C ATOM 0 H1 MET B 1 21.052 -1.089 -15.686 1.00 0.00 H new ATOM 0 H2 MET B 1 20.305 -0.830 -14.183 1.00 0.00 H new ATOM 0 H3 MET B 1 20.107 -2.313 -14.986 1.00 0.00 H new ATOM 0 HA MET B 1 19.082 0.333 -15.815 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.037 -0.877 -17.713 1.00 0.00 H new ATOM 0 HB3 MET B 1 19.787 -0.818 -17.804 1.00 0.00 H new ATOM 0 HG2 MET B 1 19.923 -3.140 -16.976 1.00 0.00 H new ATOM 0 HG3 MET B 1 18.177 -3.204 -16.836 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.871 -3.211 -20.421 1.00 0.00 H new ATOM 0 HE2 MET B 1 16.580 -2.779 -18.719 1.00 0.00 H new ATOM 0 HE3 MET B 1 17.336 -1.602 -19.819 1.00 0.00 H new ATOM 1336 N PRO B 2 17.068 -0.150 -14.439 1.00 0.00 N ATOM 1337 CA PRO B 2 15.810 -0.368 -13.734 1.00 0.00 C ATOM 1338 C PRO B 2 14.610 -0.310 -14.675 1.00 0.00 C ATOM 1339 O PRO B 2 14.750 0.034 -15.853 1.00 0.00 O ATOM 1340 CB PRO B 2 15.773 0.802 -12.753 1.00 0.00 C ATOM 1341 CG PRO B 2 16.478 1.908 -13.464 1.00 0.00 C ATOM 1342 CD PRO B 2 17.491 1.263 -14.380 1.00 0.00 C ATOM 0 HA PRO B 2 15.756 -1.349 -13.263 1.00 0.00 H new ATOM 0 HB2 PRO B 2 14.749 1.079 -12.504 1.00 0.00 H new ATOM 0 HB3 PRO B 2 16.271 0.551 -11.817 1.00 0.00 H new ATOM 0 HG2 PRO B 2 15.772 2.513 -14.033 1.00 0.00 H new ATOM 0 HG3 PRO B 2 16.968 2.574 -12.754 1.00 0.00 H new ATOM 0 HD2 PRO B 2 17.486 1.723 -15.368 1.00 0.00 H new ATOM 0 HD3 PRO B 2 18.503 1.361 -13.988 1.00 0.00 H new ATOM 1350 N GLN B 3 13.438 -0.649 -14.159 1.00 0.00 N ATOM 1351 CA GLN B 3 12.214 -0.536 -14.934 1.00 0.00 C ATOM 1352 C GLN B 3 11.736 0.909 -14.902 1.00 0.00 C ATOM 1353 O GLN B 3 11.082 1.340 -13.953 1.00 0.00 O ATOM 1354 CB GLN B 3 11.129 -1.470 -14.390 1.00 0.00 C ATOM 1355 CG GLN B 3 9.871 -1.496 -15.246 1.00 0.00 C ATOM 1356 CD GLN B 3 8.791 -2.395 -14.678 1.00 0.00 C ATOM 1357 OE1 GLN B 3 9.077 -3.384 -14.004 1.00 0.00 O ATOM 1358 NE2 GLN B 3 7.541 -2.059 -14.952 1.00 0.00 N ATOM 0 H GLN B 3 13.310 -1.003 -13.211 1.00 0.00 H new ATOM 0 HA GLN B 3 12.418 -0.832 -15.963 1.00 0.00 H new ATOM 0 HB2 GLN B 3 11.532 -2.480 -14.318 1.00 0.00 H new ATOM 0 HB3 GLN B 3 10.866 -1.159 -13.379 1.00 0.00 H new ATOM 0 HG2 GLN B 3 9.481 -0.483 -15.341 1.00 0.00 H new ATOM 0 HG3 GLN B 3 10.127 -1.834 -16.250 1.00 0.00 H new ATOM 0 HE21 GLN B 3 7.347 -1.231 -15.515 1.00 0.00 H new ATOM 0 HE22 GLN B 3 6.771 -2.628 -14.600 1.00 0.00 H new ATOM 1367 N ILE B 4 12.099 1.655 -15.931 1.00 0.00 N ATOM 1368 CA ILE B 4 11.796 3.077 -15.990 1.00 0.00 C ATOM 1369 C ILE B 4 10.391 3.314 -16.540 1.00 0.00 C ATOM 1370 O ILE B 4 9.763 4.330 -16.236 1.00 0.00 O ATOM 1371 CB ILE B 4 12.841 3.836 -16.848 1.00 0.00 C ATOM 1372 CG1 ILE B 4 12.548 5.342 -16.861 1.00 0.00 C ATOM 1373 CG2 ILE B 4 12.879 3.284 -18.268 1.00 0.00 C ATOM 1374 CD1 ILE B 4 13.584 6.163 -17.600 1.00 0.00 C ATOM 0 H ILE B 4 12.606 1.299 -16.741 1.00 0.00 H new ATOM 0 HA ILE B 4 11.840 3.465 -14.972 1.00 0.00 H new ATOM 0 HB ILE B 4 13.821 3.684 -16.396 1.00 0.00 H new ATOM 0 HG12 ILE B 4 11.573 5.508 -17.319 1.00 0.00 H new ATOM 0 HG13 ILE B 4 12.482 5.698 -15.833 1.00 0.00 H new ATOM 0 HG21 ILE B 4 13.619 3.832 -18.852 1.00 0.00 H new ATOM 0 HG22 ILE B 4 13.147 2.228 -18.241 1.00 0.00 H new ATOM 0 HG23 ILE B 4 11.898 3.397 -18.729 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.306 7.216 -17.565 1.00 0.00 H new ATOM 0 HD12 ILE B 4 14.558 6.028 -17.130 1.00 0.00 H new ATOM 0 HD13 ILE B 4 13.634 5.836 -18.639 1.00 0.00 H new ATOM 1386 N SER B 5 9.903 2.348 -17.325 1.00 0.00 N ATOM 1387 CA SER B 5 8.594 2.426 -17.985 1.00 0.00 C ATOM 1388 C SER B 5 8.452 3.723 -18.791 1.00 0.00 C ATOM 1389 O SER B 5 9.440 4.407 -19.065 1.00 0.00 O ATOM 1390 CB SER B 5 7.447 2.265 -16.969 1.00 0.00 C ATOM 1391 OG SER B 5 7.453 3.282 -15.982 1.00 0.00 O ATOM 0 H SER B 5 10.408 1.484 -17.522 1.00 0.00 H new ATOM 0 HA SER B 5 8.528 1.596 -18.689 1.00 0.00 H new ATOM 0 HB2 SER B 5 6.493 2.280 -17.496 1.00 0.00 H new ATOM 0 HB3 SER B 5 7.528 1.292 -16.485 1.00 0.00 H new ATOM 0 HG SER B 5 8.091 3.981 -16.237 1.00 0.00 H new ATOM 1397 N ARG B 6 7.232 4.047 -19.200 1.00 0.00 N ATOM 1398 CA ARG B 6 6.997 5.251 -19.985 1.00 0.00 C ATOM 1399 C ARG B 6 6.181 6.274 -19.205 1.00 0.00 C ATOM 1400 O ARG B 6 5.491 7.113 -19.792 1.00 0.00 O ATOM 1401 CB ARG B 6 6.304 4.909 -21.302 1.00 0.00 C ATOM 1402 CG ARG B 6 7.166 4.067 -22.224 1.00 0.00 C ATOM 1403 CD ARG B 6 6.593 4.008 -23.629 1.00 0.00 C ATOM 1404 NE ARG B 6 7.455 3.247 -24.531 1.00 0.00 N ATOM 1405 CZ ARG B 6 8.312 3.803 -25.386 1.00 0.00 C ATOM 1406 NH1 ARG B 6 8.429 5.124 -25.453 1.00 0.00 N ATOM 1407 NH2 ARG B 6 9.065 3.030 -26.156 1.00 0.00 N ATOM 0 H ARG B 6 6.396 3.497 -19.003 1.00 0.00 H new ATOM 0 HA ARG B 6 7.967 5.695 -20.206 1.00 0.00 H new ATOM 0 HB2 ARG B 6 5.378 4.374 -21.091 1.00 0.00 H new ATOM 0 HB3 ARG B 6 6.030 5.832 -21.812 1.00 0.00 H new ATOM 0 HG2 ARG B 6 8.174 4.481 -22.259 1.00 0.00 H new ATOM 0 HG3 ARG B 6 7.250 3.057 -21.822 1.00 0.00 H new ATOM 0 HD2 ARG B 6 5.603 3.552 -23.600 1.00 0.00 H new ATOM 0 HD3 ARG B 6 6.466 5.020 -24.014 1.00 0.00 H new ATOM 0 HE ARG B 6 7.397 2.229 -24.504 1.00 0.00 H new ATOM 0 HH11 ARG B 6 7.861 5.718 -24.848 1.00 0.00 H new ATOM 0 HH12 ARG B 6 9.087 5.545 -26.109 1.00 0.00 H new ATOM 0 HH21 ARG B 6 8.986 2.015 -26.092 1.00 0.00 H new ATOM 0 HH22 ARG B 6 9.723 3.450 -26.812 1.00 0.00 H new ATOM 1421 N TYR B 7 6.277 6.216 -17.886 1.00 0.00 N ATOM 1422 CA TYR B 7 5.652 7.215 -17.036 1.00 0.00 C ATOM 1423 C TYR B 7 6.637 8.348 -16.768 1.00 0.00 C ATOM 1424 O TYR B 7 7.847 8.123 -16.700 1.00 0.00 O ATOM 1425 CB TYR B 7 5.189 6.597 -15.716 1.00 0.00 C ATOM 1426 CG TYR B 7 4.140 5.519 -15.881 1.00 0.00 C ATOM 1427 CD1 TYR B 7 2.793 5.842 -16.002 1.00 0.00 C ATOM 1428 CD2 TYR B 7 4.497 4.178 -15.912 1.00 0.00 C ATOM 1429 CE1 TYR B 7 1.834 4.856 -16.143 1.00 0.00 C ATOM 1430 CE2 TYR B 7 3.547 3.188 -16.055 1.00 0.00 C ATOM 1431 CZ TYR B 7 2.218 3.530 -16.171 1.00 0.00 C ATOM 1432 OH TYR B 7 1.270 2.541 -16.304 1.00 0.00 O ATOM 0 H TYR B 7 6.782 5.487 -17.382 1.00 0.00 H new ATOM 0 HA TYR B 7 4.776 7.610 -17.550 1.00 0.00 H new ATOM 0 HB2 TYR B 7 6.052 6.175 -15.201 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.790 7.385 -15.077 1.00 0.00 H new ATOM 0 HD1 TYR B 7 2.491 6.879 -15.986 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.538 3.905 -15.822 1.00 0.00 H new ATOM 0 HE1 TYR B 7 0.791 5.121 -16.231 1.00 0.00 H new ATOM 0 HE2 TYR B 7 3.844 2.150 -16.076 1.00 0.00 H new ATOM 0 HH TYR B 7 1.709 1.665 -16.307 1.00 0.00 H new ATOM 1442 N SER B 8 6.127 9.559 -16.643 1.00 0.00 N ATOM 1443 CA SER B 8 6.973 10.717 -16.402 1.00 0.00 C ATOM 1444 C SER B 8 7.246 10.892 -14.912 1.00 0.00 C ATOM 1445 O SER B 8 6.313 10.984 -14.110 1.00 0.00 O ATOM 1446 CB SER B 8 6.312 11.972 -16.967 1.00 0.00 C ATOM 1447 OG SER B 8 6.091 11.843 -18.360 1.00 0.00 O ATOM 0 H SER B 8 5.131 9.768 -16.704 1.00 0.00 H new ATOM 0 HA SER B 8 7.926 10.557 -16.906 1.00 0.00 H new ATOM 0 HB2 SER B 8 5.364 12.149 -16.459 1.00 0.00 H new ATOM 0 HB3 SER B 8 6.944 12.839 -16.774 1.00 0.00 H new ATOM 0 HG SER B 8 5.665 12.657 -18.700 1.00 0.00 H new ATOM 1453 N ASP B 9 8.524 10.948 -14.548 1.00 0.00 N ATOM 1454 CA ASP B 9 8.910 11.113 -13.151 1.00 0.00 C ATOM 1455 C ASP B 9 8.516 12.496 -12.647 1.00 0.00 C ATOM 1456 O ASP B 9 8.320 12.690 -11.449 1.00 0.00 O ATOM 1457 CB ASP B 9 10.415 10.874 -12.940 1.00 0.00 C ATOM 1458 CG ASP B 9 11.306 11.898 -13.625 1.00 0.00 C ATOM 1459 OD1 ASP B 9 11.513 12.995 -13.064 1.00 0.00 O ATOM 1460 OD2 ASP B 9 11.835 11.592 -14.717 1.00 0.00 O ATOM 0 H ASP B 9 9.307 10.882 -15.199 1.00 0.00 H new ATOM 0 HA ASP B 9 8.374 10.360 -12.574 1.00 0.00 H new ATOM 0 HB2 ASP B 9 10.627 10.881 -11.871 1.00 0.00 H new ATOM 0 HB3 ASP B 9 10.670 9.881 -13.309 1.00 0.00 H new ATOM 1465 N GLU B 10 8.383 13.451 -13.567 1.00 0.00 N ATOM 1466 CA GLU B 10 7.930 14.793 -13.214 1.00 0.00 C ATOM 1467 C GLU B 10 6.524 14.722 -12.636 1.00 0.00 C ATOM 1468 O GLU B 10 6.217 15.364 -11.630 1.00 0.00 O ATOM 1469 CB GLU B 10 7.924 15.729 -14.432 1.00 0.00 C ATOM 1470 CG GLU B 10 9.146 15.611 -15.326 1.00 0.00 C ATOM 1471 CD GLU B 10 8.962 14.580 -16.419 1.00 0.00 C ATOM 1472 OE1 GLU B 10 9.116 13.378 -16.139 1.00 0.00 O ATOM 1473 OE2 GLU B 10 8.648 14.972 -17.563 1.00 0.00 O ATOM 0 H GLU B 10 8.582 13.320 -14.559 1.00 0.00 H new ATOM 0 HA GLU B 10 8.625 15.195 -12.477 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.034 15.524 -15.027 1.00 0.00 H new ATOM 0 HB3 GLU B 10 7.844 16.758 -14.082 1.00 0.00 H new ATOM 0 HG2 GLU B 10 9.359 16.581 -15.776 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.012 15.344 -14.720 1.00 0.00 H new ATOM 1480 N GLN B 11 5.685 13.916 -13.275 1.00 0.00 N ATOM 1481 CA GLN B 11 4.300 13.753 -12.860 1.00 0.00 C ATOM 1482 C GLN B 11 4.231 13.022 -11.525 1.00 0.00 C ATOM 1483 O GLN B 11 3.473 13.403 -10.633 1.00 0.00 O ATOM 1484 CB GLN B 11 3.524 12.982 -13.927 1.00 0.00 C ATOM 1485 CG GLN B 11 2.038 12.869 -13.641 1.00 0.00 C ATOM 1486 CD GLN B 11 1.287 12.166 -14.753 1.00 0.00 C ATOM 1487 OE1 GLN B 11 1.127 10.948 -14.738 1.00 0.00 O ATOM 1488 NE2 GLN B 11 0.833 12.931 -15.732 1.00 0.00 N ATOM 0 H GLN B 11 5.945 13.361 -14.090 1.00 0.00 H new ATOM 0 HA GLN B 11 3.850 14.738 -12.739 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.663 13.473 -14.890 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.945 11.980 -14.016 1.00 0.00 H new ATOM 0 HG2 GLN B 11 1.891 12.326 -12.707 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.621 13.866 -13.499 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.988 13.939 -15.705 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.328 12.513 -16.514 1.00 0.00 H new ATOM 1497 N VAL B 12 5.041 11.974 -11.393 1.00 0.00 N ATOM 1498 CA VAL B 12 5.126 11.225 -10.146 1.00 0.00 C ATOM 1499 C VAL B 12 5.563 12.144 -9.009 1.00 0.00 C ATOM 1500 O VAL B 12 4.973 12.133 -7.931 1.00 0.00 O ATOM 1501 CB VAL B 12 6.112 10.041 -10.258 1.00 0.00 C ATOM 1502 CG1 VAL B 12 6.179 9.264 -8.950 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.720 9.122 -11.404 1.00 0.00 C ATOM 0 H VAL B 12 5.647 11.626 -12.136 1.00 0.00 H new ATOM 0 HA VAL B 12 4.134 10.824 -9.936 1.00 0.00 H new ATOM 0 HB VAL B 12 7.103 10.446 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.880 8.436 -9.054 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.515 9.925 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL B 12 5.190 8.874 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.427 8.295 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.718 8.730 -11.230 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.733 9.681 -12.340 1.00 0.00 H new ATOM 1513 N GLU B 13 6.586 12.953 -9.275 1.00 0.00 N ATOM 1514 CA GLU B 13 7.090 13.912 -8.297 1.00 0.00 C ATOM 1515 C GLU B 13 6.004 14.913 -7.918 1.00 0.00 C ATOM 1516 O GLU B 13 5.864 15.271 -6.752 1.00 0.00 O ATOM 1517 CB GLU B 13 8.314 14.647 -8.857 1.00 0.00 C ATOM 1518 CG GLU B 13 8.921 15.652 -7.892 1.00 0.00 C ATOM 1519 CD GLU B 13 10.074 16.419 -8.501 1.00 0.00 C ATOM 1520 OE1 GLU B 13 9.822 17.368 -9.273 1.00 0.00 O ATOM 1521 OE2 GLU B 13 11.241 16.085 -8.205 1.00 0.00 O ATOM 0 H GLU B 13 7.084 12.962 -10.165 1.00 0.00 H new ATOM 0 HA GLU B 13 7.386 13.367 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.073 13.914 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.028 15.164 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.151 16.354 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.267 15.130 -7.000 1.00 0.00 H new ATOM 1528 N GLN B 14 5.234 15.351 -8.912 1.00 0.00 N ATOM 1529 CA GLN B 14 4.141 16.291 -8.687 1.00 0.00 C ATOM 1530 C GLN B 14 3.146 15.723 -7.676 1.00 0.00 C ATOM 1531 O GLN B 14 2.797 16.382 -6.698 1.00 0.00 O ATOM 1532 CB GLN B 14 3.435 16.600 -10.011 1.00 0.00 C ATOM 1533 CG GLN B 14 2.308 17.615 -9.893 1.00 0.00 C ATOM 1534 CD GLN B 14 2.794 19.004 -9.519 1.00 0.00 C ATOM 1535 OE1 GLN B 14 3.983 19.364 -9.975 1.00 0.00 O flip ATOM 1536 NE2 GLN B 14 2.088 19.760 -8.853 1.00 0.00 N flip ATOM 0 H GLN B 14 5.349 15.068 -9.885 1.00 0.00 H new ATOM 0 HA GLN B 14 4.553 17.215 -8.282 1.00 0.00 H new ATOM 0 HB2 GLN B 14 4.171 16.972 -10.724 1.00 0.00 H new ATOM 0 HB3 GLN B 14 3.033 15.673 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN B 14 1.773 17.667 -10.841 1.00 0.00 H new ATOM 0 HG3 GLN B 14 1.595 17.272 -9.143 1.00 0.00 H new ATOM 0 HE21 GLN B 14 1.177 19.445 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN B 14 2.414 20.702 -8.634 1.00 0.00 H new ATOM 1545 N LEU B 15 2.705 14.492 -7.915 1.00 0.00 N ATOM 1546 CA LEU B 15 1.787 13.820 -7.003 1.00 0.00 C ATOM 1547 C LEU B 15 2.448 13.571 -5.655 1.00 0.00 C ATOM 1548 O LEU B 15 1.877 13.877 -4.611 1.00 0.00 O ATOM 1549 CB LEU B 15 1.296 12.490 -7.591 1.00 0.00 C ATOM 1550 CG LEU B 15 0.035 12.569 -8.461 1.00 0.00 C ATOM 1551 CD1 LEU B 15 0.273 13.407 -9.707 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.432 11.174 -8.839 1.00 0.00 C ATOM 0 H LEU B 15 2.968 13.940 -8.732 1.00 0.00 H new ATOM 0 HA LEU B 15 0.929 14.477 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.100 12.060 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.105 11.800 -6.769 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.746 13.056 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.640 13.443 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.557 14.419 -9.416 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.073 12.961 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.328 11.245 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.354 10.666 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.658 10.609 -7.935 1.00 0.00 H new ATOM 1564 N LEU B 16 3.660 13.028 -5.692 1.00 0.00 N ATOM 1565 CA LEU B 16 4.392 12.672 -4.483 1.00 0.00 C ATOM 1566 C LEU B 16 4.579 13.886 -3.577 1.00 0.00 C ATOM 1567 O LEU B 16 4.291 13.827 -2.381 1.00 0.00 O ATOM 1568 CB LEU B 16 5.756 12.079 -4.849 1.00 0.00 C ATOM 1569 CG LEU B 16 6.561 11.513 -3.676 1.00 0.00 C ATOM 1570 CD1 LEU B 16 5.852 10.312 -3.072 1.00 0.00 C ATOM 1571 CD2 LEU B 16 7.964 11.136 -4.128 1.00 0.00 C ATOM 0 H LEU B 16 4.160 12.823 -6.557 1.00 0.00 H new ATOM 0 HA LEU B 16 3.809 11.927 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.604 11.285 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.350 12.852 -5.337 1.00 0.00 H new ATOM 0 HG LEU B 16 6.642 12.283 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.439 9.923 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU B 16 4.868 10.613 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU B 16 5.740 9.537 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU B 16 8.523 10.735 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.903 10.382 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU B 16 8.472 12.020 -4.513 1.00 0.00 H new ATOM 1583 N ALA B 17 5.042 14.986 -4.156 1.00 0.00 N ATOM 1584 CA ALA B 17 5.302 16.201 -3.400 1.00 0.00 C ATOM 1585 C ALA B 17 4.026 16.745 -2.776 1.00 0.00 C ATOM 1586 O ALA B 17 4.025 17.163 -1.618 1.00 0.00 O ATOM 1587 CB ALA B 17 5.949 17.254 -4.290 1.00 0.00 C ATOM 0 H ALA B 17 5.246 15.060 -5.153 1.00 0.00 H new ATOM 0 HA ALA B 17 5.991 15.953 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.137 18.157 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.892 16.871 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA B 17 5.282 17.489 -5.119 1.00 0.00 H new ATOM 1593 N GLU B 18 2.937 16.729 -3.537 1.00 0.00 N ATOM 1594 CA GLU B 18 1.670 17.260 -3.059 1.00 0.00 C ATOM 1595 C GLU B 18 1.074 16.348 -1.988 1.00 0.00 C ATOM 1596 O GLU B 18 0.551 16.826 -0.982 1.00 0.00 O ATOM 1597 CB GLU B 18 0.693 17.448 -4.223 1.00 0.00 C ATOM 1598 CG GLU B 18 -0.518 18.293 -3.865 1.00 0.00 C ATOM 1599 CD GLU B 18 -1.355 18.656 -5.076 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.854 19.385 -5.954 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -2.520 18.218 -5.159 1.00 0.00 O ATOM 0 H GLU B 18 2.908 16.354 -4.485 1.00 0.00 H new ATOM 0 HA GLU B 18 1.853 18.236 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU B 18 1.218 17.914 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.356 16.470 -4.566 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.136 17.750 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.186 19.206 -3.371 1.00 0.00 H new ATOM 1608 N LEU B 19 1.179 15.037 -2.195 1.00 0.00 N ATOM 1609 CA LEU B 19 0.693 14.066 -1.216 1.00 0.00 C ATOM 1610 C LEU B 19 1.438 14.216 0.106 1.00 0.00 C ATOM 1611 O LEU B 19 0.824 14.287 1.171 1.00 0.00 O ATOM 1612 CB LEU B 19 0.851 12.635 -1.738 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.067 12.255 -2.904 1.00 0.00 C ATOM 1614 CD1 LEU B 19 0.253 10.852 -3.400 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.526 12.348 -2.483 1.00 0.00 C ATOM 0 H LEU B 19 1.595 14.623 -3.029 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.366 14.263 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.885 12.493 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.669 11.944 -0.915 1.00 0.00 H new ATOM 0 HG LEU B 19 0.104 12.957 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.409 10.599 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.289 10.813 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.109 10.138 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.165 12.075 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.709 11.667 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.751 13.368 -2.173 1.00 0.00 H new ATOM 1627 N LEU B 20 2.764 14.272 0.034 1.00 0.00 N ATOM 1628 CA LEU B 20 3.583 14.456 1.227 1.00 0.00 C ATOM 1629 C LEU B 20 3.305 15.811 1.864 1.00 0.00 C ATOM 1630 O LEU B 20 3.331 15.947 3.084 1.00 0.00 O ATOM 1631 CB LEU B 20 5.075 14.320 0.897 1.00 0.00 C ATOM 1632 CG LEU B 20 5.657 12.906 1.039 1.00 0.00 C ATOM 1633 CD1 LEU B 20 5.588 12.443 2.487 1.00 0.00 C ATOM 1634 CD2 LEU B 20 4.932 11.921 0.133 1.00 0.00 C ATOM 0 H LEU B 20 3.293 14.193 -0.835 1.00 0.00 H new ATOM 0 HA LEU B 20 3.318 13.674 1.939 1.00 0.00 H new ATOM 0 HB2 LEU B 20 5.235 14.659 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.636 14.992 1.547 1.00 0.00 H new ATOM 0 HG LEU B 20 6.702 12.942 0.733 1.00 0.00 H new ATOM 0 HD11 LEU B 20 6.005 11.439 2.568 1.00 0.00 H new ATOM 0 HD12 LEU B 20 6.161 13.126 3.115 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.549 12.432 2.816 1.00 0.00 H new ATOM 0 HD21 LEU B 20 5.365 10.928 0.254 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.876 11.891 0.400 1.00 0.00 H new ATOM 0 HD23 LEU B 20 5.035 12.237 -0.905 1.00 0.00 H new ATOM 1646 N ASN B 21 3.026 16.806 1.029 1.00 0.00 N ATOM 1647 CA ASN B 21 2.655 18.128 1.516 1.00 0.00 C ATOM 1648 C ASN B 21 1.375 18.051 2.335 1.00 0.00 C ATOM 1649 O ASN B 21 1.309 18.588 3.436 1.00 0.00 O ATOM 1650 CB ASN B 21 2.479 19.104 0.350 1.00 0.00 C ATOM 1651 CG ASN B 21 1.919 20.447 0.782 1.00 0.00 C ATOM 1652 OD1 ASN B 21 2.655 21.335 1.215 1.00 0.00 O ATOM 1653 ND2 ASN B 21 0.613 20.615 0.641 1.00 0.00 N ATOM 0 H ASN B 21 3.050 16.722 0.013 1.00 0.00 H new ATOM 0 HA ASN B 21 3.458 18.495 2.155 1.00 0.00 H new ATOM 0 HB2 ASN B 21 3.442 19.257 -0.137 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.814 18.660 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.183 21.504 0.895 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.037 19.855 0.279 1.00 0.00 H new ATOM 1660 N VAL B 22 0.368 17.367 1.796 1.00 0.00 N ATOM 1661 CA VAL B 22 -0.896 17.165 2.501 1.00 0.00 C ATOM 1662 C VAL B 22 -0.656 16.500 3.855 1.00 0.00 C ATOM 1663 O VAL B 22 -1.216 16.911 4.875 1.00 0.00 O ATOM 1664 CB VAL B 22 -1.871 16.303 1.668 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.114 15.949 2.469 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.256 17.026 0.390 1.00 0.00 C ATOM 0 H VAL B 22 0.403 16.942 0.870 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.345 18.146 2.656 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.361 15.375 1.409 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.781 15.342 1.857 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.826 15.387 3.358 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.627 16.863 2.768 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -2.943 16.406 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.740 17.970 0.638 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.361 17.221 -0.201 1.00 0.00 H new ATOM 1676 N LEU B 23 0.203 15.488 3.857 1.00 0.00 N ATOM 1677 CA LEU B 23 0.568 14.795 5.084 1.00 0.00 C ATOM 1678 C LEU B 23 1.216 15.756 6.078 1.00 0.00 C ATOM 1679 O LEU B 23 0.949 15.690 7.274 1.00 0.00 O ATOM 1680 CB LEU B 23 1.521 13.635 4.780 1.00 0.00 C ATOM 1681 CG LEU B 23 0.938 12.524 3.900 1.00 0.00 C ATOM 1682 CD1 LEU B 23 1.990 11.465 3.611 1.00 0.00 C ATOM 1683 CD2 LEU B 23 -0.278 11.898 4.568 1.00 0.00 C ATOM 0 H LEU B 23 0.661 15.129 3.019 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.343 14.397 5.531 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.410 14.035 4.291 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.846 13.196 5.723 1.00 0.00 H new ATOM 0 HG LEU B 23 0.624 12.964 2.954 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.558 10.684 2.985 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.833 11.921 3.092 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.335 11.029 4.549 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.679 11.111 3.929 1.00 0.00 H new ATOM 0 HD22 LEU B 23 0.013 11.473 5.528 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.040 12.661 4.725 1.00 0.00 H new ATOM 1695 N GLU B 24 2.049 16.659 5.574 1.00 0.00 N ATOM 1696 CA GLU B 24 2.735 17.628 6.422 1.00 0.00 C ATOM 1697 C GLU B 24 1.807 18.762 6.858 1.00 0.00 C ATOM 1698 O GLU B 24 2.054 19.411 7.874 1.00 0.00 O ATOM 1699 CB GLU B 24 3.962 18.198 5.712 1.00 0.00 C ATOM 1700 CG GLU B 24 5.085 17.189 5.544 1.00 0.00 C ATOM 1701 CD GLU B 24 6.381 17.829 5.096 1.00 0.00 C ATOM 1702 OE1 GLU B 24 7.047 18.478 5.931 1.00 0.00 O ATOM 1703 OE2 GLU B 24 6.759 17.668 3.916 1.00 0.00 O ATOM 0 H GLU B 24 2.266 16.741 4.581 1.00 0.00 H new ATOM 0 HA GLU B 24 3.058 17.097 7.318 1.00 0.00 H new ATOM 0 HB2 GLU B 24 3.666 18.567 4.730 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.334 19.054 6.276 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.248 16.671 6.489 1.00 0.00 H new ATOM 0 HG3 GLU B 24 4.785 16.436 4.815 1.00 0.00 H new ATOM 1710 N LYS B 25 0.746 19.002 6.094 1.00 0.00 N ATOM 1711 CA LYS B 25 -0.242 20.015 6.461 1.00 0.00 C ATOM 1712 C LYS B 25 -0.914 19.644 7.775 1.00 0.00 C ATOM 1713 O LYS B 25 -1.216 20.503 8.604 1.00 0.00 O ATOM 1714 CB LYS B 25 -1.312 20.172 5.373 1.00 0.00 C ATOM 1715 CG LYS B 25 -0.777 20.662 4.036 1.00 0.00 C ATOM 1716 CD LYS B 25 0.020 21.945 4.189 1.00 0.00 C ATOM 1717 CE LYS B 25 -0.824 23.068 4.765 1.00 0.00 C ATOM 1718 NZ LYS B 25 -0.008 24.278 5.028 1.00 0.00 N ATOM 0 H LYS B 25 0.547 18.513 5.221 1.00 0.00 H new ATOM 0 HA LYS B 25 0.284 20.963 6.571 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -1.806 19.212 5.224 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -2.072 20.870 5.725 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -0.146 19.892 3.592 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -1.608 20.829 3.350 1.00 0.00 H new ATOM 0 HD2 LYS B 25 0.877 21.765 4.838 1.00 0.00 H new ATOM 0 HD3 LYS B 25 0.413 22.247 3.218 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -1.628 23.313 4.071 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.292 22.735 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -0.614 25.027 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 0.744 24.048 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 0.419 24.609 4.139 1.00 0.00 H new ATOM 1732 N HIS B 26 -1.140 18.353 7.953 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.782 17.852 9.157 1.00 0.00 C ATOM 1734 C HIS B 26 -0.739 17.397 10.168 1.00 0.00 C ATOM 1735 O HIS B 26 -0.863 17.672 11.363 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.718 16.689 8.821 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.895 17.074 7.974 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -5.194 16.980 8.412 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -3.964 17.529 6.700 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -6.011 17.356 7.447 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -5.290 17.693 6.395 1.00 0.00 N ATOM 0 H HIS B 26 -0.888 17.631 7.278 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.367 18.662 9.592 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.149 15.917 8.303 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.081 16.249 9.750 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.128 17.726 6.045 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -7.089 17.383 7.508 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.658 18.021 5.502 1.00 0.00 H new ATOM 1750 N LYS B 27 0.298 16.729 9.664 1.00 0.00 N ATOM 1751 CA LYS B 27 1.347 16.137 10.493 1.00 0.00 C ATOM 1752 C LYS B 27 0.800 14.966 11.293 1.00 0.00 C ATOM 1753 O LYS B 27 0.391 15.112 12.445 1.00 0.00 O ATOM 1754 CB LYS B 27 1.992 17.177 11.412 1.00 0.00 C ATOM 1755 CG LYS B 27 2.838 18.193 10.664 1.00 0.00 C ATOM 1756 CD LYS B 27 3.174 19.403 11.523 1.00 0.00 C ATOM 1757 CE LYS B 27 2.018 20.397 11.592 1.00 0.00 C ATOM 1758 NZ LYS B 27 0.835 19.860 12.324 1.00 0.00 N ATOM 0 H LYS B 27 0.435 16.583 8.664 1.00 0.00 H new ATOM 0 HA LYS B 27 2.126 15.764 9.828 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.210 17.700 11.963 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.614 16.667 12.147 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.761 17.719 10.329 1.00 0.00 H new ATOM 0 HG3 LYS B 27 2.306 18.520 9.771 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.428 19.073 12.530 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.056 19.900 11.119 1.00 0.00 H new ATOM 0 HE2 LYS B 27 2.359 21.309 12.081 1.00 0.00 H new ATOM 0 HE3 LYS B 27 1.720 20.671 10.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 0.287 20.648 12.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 0.236 19.320 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 1.156 19.237 13.092 1.00 0.00 H new ATOM 1772 N ALA B 28 0.769 13.809 10.652 1.00 0.00 N ATOM 1773 CA ALA B 28 0.268 12.597 11.269 1.00 0.00 C ATOM 1774 C ALA B 28 1.392 11.578 11.404 1.00 0.00 C ATOM 1775 O ALA B 28 2.344 11.601 10.622 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.877 12.026 10.444 1.00 0.00 C ATOM 0 H ALA B 28 1.090 13.686 9.692 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.108 12.832 12.265 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.247 11.116 10.916 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.683 12.757 10.385 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.522 11.796 9.439 1.00 0.00 H new ATOM 1782 N PRO B 29 1.312 10.690 12.406 1.00 0.00 N ATOM 1783 CA PRO B 29 2.325 9.651 12.628 1.00 0.00 C ATOM 1784 C PRO B 29 2.421 8.671 11.459 1.00 0.00 C ATOM 1785 O PRO B 29 1.446 8.457 10.728 1.00 0.00 O ATOM 1786 CB PRO B 29 1.834 8.925 13.887 1.00 0.00 C ATOM 1787 CG PRO B 29 0.876 9.865 14.533 1.00 0.00 C ATOM 1788 CD PRO B 29 0.240 10.631 13.412 1.00 0.00 C ATOM 0 HA PRO B 29 3.322 10.079 12.728 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.350 7.982 13.634 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.663 8.689 14.554 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.127 9.324 15.112 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.390 10.535 15.223 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.646 10.125 13.029 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.072 11.626 13.729 1.00 0.00 H new ATOM 1796 N THR B 30 3.592 8.070 11.297 1.00 0.00 N ATOM 1797 CA THR B 30 3.814 7.088 10.247 1.00 0.00 C ATOM 1798 C THR B 30 2.917 5.871 10.476 1.00 0.00 C ATOM 1799 O THR B 30 2.453 5.239 9.527 1.00 0.00 O ATOM 1800 CB THR B 30 5.295 6.650 10.203 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.144 7.806 10.154 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.574 5.768 8.992 1.00 0.00 C ATOM 0 H THR B 30 4.407 8.248 11.884 1.00 0.00 H new ATOM 0 HA THR B 30 3.565 7.547 9.290 1.00 0.00 H new ATOM 0 HB THR B 30 5.502 6.075 11.105 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.042 7.540 9.865 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.624 5.476 8.989 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.949 4.876 9.040 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.348 6.320 8.080 1.00 0.00 H new ATOM 1810 N ASP B 31 2.659 5.574 11.750 1.00 0.00 N ATOM 1811 CA ASP B 31 1.761 4.488 12.138 1.00 0.00 C ATOM 1812 C ASP B 31 0.392 4.661 11.485 1.00 0.00 C ATOM 1813 O ASP B 31 -0.152 3.727 10.891 1.00 0.00 O ATOM 1814 CB ASP B 31 1.591 4.449 13.663 1.00 0.00 C ATOM 1815 CG ASP B 31 2.888 4.175 14.398 1.00 0.00 C ATOM 1816 OD1 ASP B 31 3.778 5.053 14.394 1.00 0.00 O ATOM 1817 OD2 ASP B 31 3.020 3.089 15.001 1.00 0.00 O ATOM 0 H ASP B 31 3.065 6.078 12.539 1.00 0.00 H new ATOM 0 HA ASP B 31 2.204 3.551 11.800 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.182 5.401 14.002 1.00 0.00 H new ATOM 0 HB3 ASP B 31 0.864 3.680 13.922 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.155 5.867 11.600 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.448 6.180 11.007 1.00 0.00 C ATOM 1824 C LEU B 32 -1.354 6.151 9.488 1.00 0.00 C ATOM 1825 O LEU B 32 -2.194 5.552 8.819 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.932 7.557 11.476 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.263 8.022 10.876 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.394 7.090 11.279 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.572 9.449 11.302 1.00 0.00 C ATOM 0 H LEU B 32 0.279 6.644 12.099 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.167 5.427 11.330 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.028 7.540 12.562 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.166 8.294 11.235 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.172 7.997 9.790 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.328 7.441 10.841 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.181 6.083 10.920 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.485 7.077 12.365 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.521 9.761 10.866 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.638 9.498 12.389 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.778 10.112 10.957 1.00 0.00 H new ATOM 1841 N SER B 33 -0.312 6.784 8.962 1.00 0.00 N ATOM 1842 CA SER B 33 -0.108 6.881 7.521 1.00 0.00 C ATOM 1843 C SER B 33 -0.075 5.498 6.866 1.00 0.00 C ATOM 1844 O SER B 33 -0.763 5.261 5.872 1.00 0.00 O ATOM 1845 CB SER B 33 1.189 7.640 7.235 1.00 0.00 C ATOM 1846 OG SER B 33 1.178 8.912 7.863 1.00 0.00 O ATOM 0 H SER B 33 0.411 7.242 9.517 1.00 0.00 H new ATOM 0 HA SER B 33 -0.948 7.427 7.091 1.00 0.00 H new ATOM 0 HB2 SER B 33 2.041 7.061 7.592 1.00 0.00 H new ATOM 0 HB3 SER B 33 1.315 7.762 6.159 1.00 0.00 H new ATOM 0 HG SER B 33 1.345 8.804 8.823 1.00 0.00 H new ATOM 1852 N LEU B 34 0.705 4.585 7.438 1.00 0.00 N ATOM 1853 CA LEU B 34 0.821 3.233 6.900 1.00 0.00 C ATOM 1854 C LEU B 34 -0.514 2.497 6.958 1.00 0.00 C ATOM 1855 O LEU B 34 -0.873 1.778 6.026 1.00 0.00 O ATOM 1856 CB LEU B 34 1.888 2.438 7.659 1.00 0.00 C ATOM 1857 CG LEU B 34 3.330 2.902 7.437 1.00 0.00 C ATOM 1858 CD1 LEU B 34 4.287 2.094 8.297 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.710 2.784 5.968 1.00 0.00 C ATOM 0 H LEU B 34 1.265 4.756 8.273 1.00 0.00 H new ATOM 0 HA LEU B 34 1.120 3.320 5.855 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.667 2.490 8.725 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.812 1.390 7.369 1.00 0.00 H new ATOM 0 HG LEU B 34 3.402 3.950 7.729 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.307 2.437 8.127 1.00 0.00 H new ATOM 0 HD12 LEU B 34 4.031 2.225 9.348 1.00 0.00 H new ATOM 0 HD13 LEU B 34 4.210 1.039 8.034 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.738 3.118 5.830 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.621 1.745 5.651 1.00 0.00 H new ATOM 0 HD23 LEU B 34 3.043 3.404 5.369 1.00 0.00 H new ATOM 1871 N MET B 35 -1.247 2.683 8.050 1.00 0.00 N ATOM 1872 CA MET B 35 -2.541 2.034 8.211 1.00 0.00 C ATOM 1873 C MET B 35 -3.530 2.545 7.169 1.00 0.00 C ATOM 1874 O MET B 35 -4.243 1.759 6.543 1.00 0.00 O ATOM 1875 CB MET B 35 -3.092 2.270 9.617 1.00 0.00 C ATOM 1876 CG MET B 35 -4.372 1.500 9.901 1.00 0.00 C ATOM 1877 SD MET B 35 -4.989 1.767 11.575 1.00 0.00 S ATOM 1878 CE MET B 35 -5.377 3.515 11.517 1.00 0.00 C ATOM 0 H MET B 35 -0.969 3.275 8.833 1.00 0.00 H new ATOM 0 HA MET B 35 -2.403 0.962 8.067 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.336 1.985 10.348 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.280 3.335 9.751 1.00 0.00 H new ATOM 0 HG2 MET B 35 -5.137 1.798 9.184 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.192 0.436 9.750 1.00 0.00 H new ATOM 0 HE1 MET B 35 -4.608 4.076 12.048 1.00 0.00 H new ATOM 0 HE2 MET B 35 -5.416 3.845 10.479 1.00 0.00 H new ATOM 0 HE3 MET B 35 -6.344 3.689 11.989 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.556 3.860 6.979 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.430 4.477 5.986 1.00 0.00 C ATOM 1890 C VAL B 36 -4.116 3.947 4.590 1.00 0.00 C ATOM 1891 O VAL B 36 -5.022 3.610 3.825 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.301 6.018 5.998 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.099 6.643 4.864 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.758 6.583 7.335 1.00 0.00 C ATOM 0 H VAL B 36 -2.981 4.521 7.501 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.455 4.216 6.248 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.250 6.266 5.853 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -4.990 7.727 4.897 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.728 6.270 3.909 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.151 6.381 4.972 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.660 7.669 7.324 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.801 6.315 7.506 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.142 6.171 8.134 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.830 3.858 4.270 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.395 3.336 2.980 1.00 0.00 C ATOM 1906 C LEU B 37 -2.804 1.875 2.821 1.00 0.00 C ATOM 1907 O LEU B 37 -3.291 1.473 1.766 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.878 3.487 2.827 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.373 4.931 2.801 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.146 4.961 2.768 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.944 5.674 1.602 1.00 0.00 C ATOM 0 H LEU B 37 -2.069 4.141 4.888 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.883 3.914 2.195 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.391 2.962 3.649 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.570 2.993 1.906 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.710 5.430 3.709 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.489 5.995 2.750 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.539 4.464 3.655 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.501 4.445 1.876 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.574 6.699 1.600 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.635 5.175 0.684 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.032 5.681 1.663 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.622 1.091 3.879 1.00 0.00 N ATOM 1924 CA GLY B 38 -3.020 -0.305 3.851 1.00 0.00 C ATOM 1925 C GLY B 38 -4.507 -0.472 3.605 1.00 0.00 C ATOM 1926 O GLY B 38 -4.927 -1.333 2.825 1.00 0.00 O ATOM 0 H GLY B 38 -2.205 1.399 4.758 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.464 -0.824 3.070 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.755 -0.776 4.798 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.305 0.353 4.272 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.749 0.337 4.081 1.00 0.00 C ATOM 1932 C ASN B 39 -7.100 0.807 2.675 1.00 0.00 C ATOM 1933 O ASN B 39 -7.983 0.246 2.023 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.452 1.219 5.122 1.00 0.00 C ATOM 1935 CG ASN B 39 -7.336 0.682 6.543 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -7.259 -0.634 6.684 1.00 0.00 O flip ATOM 1937 ND2 ASN B 39 -7.320 1.445 7.509 1.00 0.00 N flip ATOM 0 H ASN B 39 -4.976 1.041 4.950 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.096 -0.688 4.211 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.028 2.222 5.084 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.506 1.309 4.860 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.381 2.453 7.364 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.246 1.069 8.454 1.00 0.00 H new ATOM 1944 N MET B 40 -6.388 1.831 2.210 1.00 0.00 N ATOM 1945 CA MET B 40 -6.590 2.371 0.869 1.00 0.00 C ATOM 1946 C MET B 40 -6.338 1.310 -0.195 1.00 0.00 C ATOM 1947 O MET B 40 -7.205 1.043 -1.021 1.00 0.00 O ATOM 1948 CB MET B 40 -5.668 3.571 0.632 1.00 0.00 C ATOM 1949 CG MET B 40 -5.745 4.128 -0.782 1.00 0.00 C ATOM 1950 SD MET B 40 -4.606 5.501 -1.053 1.00 0.00 S ATOM 1951 CE MET B 40 -5.239 6.703 0.113 1.00 0.00 C ATOM 0 H MET B 40 -5.662 2.305 2.747 1.00 0.00 H new ATOM 0 HA MET B 40 -7.628 2.695 0.794 1.00 0.00 H new ATOM 0 HB2 MET B 40 -5.924 4.360 1.339 1.00 0.00 H new ATOM 0 HB3 MET B 40 -4.640 3.276 0.842 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.525 3.333 -1.494 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.763 4.461 -0.982 1.00 0.00 H new ATOM 0 HE1 MET B 40 -5.063 7.708 -0.269 1.00 0.00 H new ATOM 0 HE2 MET B 40 -6.309 6.549 0.249 1.00 0.00 H new ATOM 0 HE3 MET B 40 -4.731 6.584 1.070 1.00 0.00 H new ATOM 1961 N VAL B 41 -5.156 0.701 -0.158 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.774 -0.307 -1.145 1.00 0.00 C ATOM 1963 C VAL B 41 -5.773 -1.465 -1.163 1.00 0.00 C ATOM 1964 O VAL B 41 -6.203 -1.902 -2.231 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.349 -0.848 -0.882 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.982 -1.934 -1.884 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.329 0.280 -0.936 1.00 0.00 C ATOM 0 H VAL B 41 -4.443 0.888 0.547 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.782 0.181 -2.120 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.337 -1.285 0.117 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.975 -2.296 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.689 -2.759 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -3.019 -1.525 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.333 -0.121 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.353 0.746 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.569 1.024 -0.177 1.00 0.00 H new ATOM 1977 N THR B 42 -6.156 -1.930 0.022 1.00 0.00 N ATOM 1978 CA THR B 42 -7.127 -3.014 0.146 1.00 0.00 C ATOM 1979 C THR B 42 -8.437 -2.669 -0.568 1.00 0.00 C ATOM 1980 O THR B 42 -8.959 -3.458 -1.353 1.00 0.00 O ATOM 1981 CB THR B 42 -7.426 -3.322 1.631 1.00 0.00 C ATOM 1982 OG1 THR B 42 -6.227 -3.731 2.306 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.482 -4.410 1.768 1.00 0.00 C ATOM 0 H THR B 42 -5.809 -1.573 0.912 1.00 0.00 H new ATOM 0 HA THR B 42 -6.687 -3.894 -0.323 1.00 0.00 H new ATOM 0 HB THR B 42 -7.808 -2.409 2.088 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.701 -2.940 2.546 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.670 -4.604 2.824 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.405 -4.083 1.289 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.128 -5.323 1.289 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.950 -1.477 -0.297 1.00 0.00 N ATOM 1992 CA ASN B 43 -10.222 -1.044 -0.864 1.00 0.00 C ATOM 1993 C ASN B 43 -10.075 -0.756 -2.357 1.00 0.00 C ATOM 1994 O ASN B 43 -10.902 -1.180 -3.166 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.716 0.206 -0.119 1.00 0.00 C ATOM 1996 CG ASN B 43 -12.142 0.605 -0.469 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -12.610 0.415 -1.588 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -12.849 1.172 0.499 1.00 0.00 N ATOM 0 H ASN B 43 -8.505 -0.791 0.313 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.955 -1.842 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.652 0.027 0.954 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -10.050 1.039 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -13.811 1.464 0.324 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -12.431 1.316 1.418 1.00 0.00 H new ATOM 2005 N LEU B 44 -9.001 -0.060 -2.710 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.763 0.380 -4.082 1.00 0.00 C ATOM 2007 C LEU B 44 -8.763 -0.797 -5.057 1.00 0.00 C ATOM 2008 O LEU B 44 -9.464 -0.772 -6.068 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.424 1.119 -4.170 1.00 0.00 C ATOM 2010 CG LEU B 44 -7.166 1.858 -5.486 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -8.110 3.043 -5.625 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.718 2.316 -5.562 1.00 0.00 C ATOM 0 H LEU B 44 -8.270 0.216 -2.054 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.575 1.052 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.371 1.838 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.620 0.399 -4.014 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.354 1.171 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.913 3.557 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.141 2.690 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.953 3.732 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.551 2.840 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.505 2.988 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.059 1.450 -5.507 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.992 -1.829 -4.737 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.843 -2.975 -5.628 1.00 0.00 C ATOM 2026 C ILE B 45 -9.168 -3.716 -5.808 1.00 0.00 C ATOM 2027 O ILE B 45 -9.538 -4.081 -6.922 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.771 -3.959 -5.108 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.415 -3.256 -4.990 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.662 -5.168 -6.028 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.327 -4.129 -4.402 1.00 0.00 C ATOM 0 H ILE B 45 -7.461 -1.897 -3.869 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.523 -2.584 -6.594 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.072 -4.305 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.103 -2.918 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.529 -2.366 -4.371 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.902 -5.849 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.622 -5.682 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.383 -4.839 -7.029 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.396 -3.564 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.617 -4.446 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.184 -5.006 -5.033 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.891 -3.911 -4.714 1.00 0.00 N ATOM 2044 CA ASN B 46 -11.139 -4.671 -4.742 1.00 0.00 C ATOM 2045 C ASN B 46 -12.230 -3.951 -5.530 1.00 0.00 C ATOM 2046 O ASN B 46 -13.095 -4.589 -6.128 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.633 -4.950 -3.317 1.00 0.00 C ATOM 2048 CG ASN B 46 -10.837 -6.036 -2.611 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -9.658 -6.248 -2.890 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -11.484 -6.740 -1.695 1.00 0.00 N ATOM 0 H ASN B 46 -9.637 -3.554 -3.793 1.00 0.00 H new ATOM 0 HA ASN B 46 -10.926 -5.614 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.579 -4.031 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -12.682 -5.243 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -11.004 -7.488 -1.194 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -12.462 -6.535 -1.491 1.00 0.00 H new ATOM 2057 N THR B 47 -12.187 -2.626 -5.536 1.00 0.00 N ATOM 2058 CA THR B 47 -13.236 -1.840 -6.169 1.00 0.00 C ATOM 2059 C THR B 47 -12.918 -1.508 -7.627 1.00 0.00 C ATOM 2060 O THR B 47 -13.761 -1.691 -8.508 1.00 0.00 O ATOM 2061 CB THR B 47 -13.496 -0.539 -5.388 1.00 0.00 C ATOM 2062 OG1 THR B 47 -12.253 0.110 -5.091 1.00 0.00 O ATOM 2063 CG2 THR B 47 -14.248 -0.827 -4.098 1.00 0.00 C ATOM 0 H THR B 47 -11.441 -2.075 -5.112 1.00 0.00 H new ATOM 0 HA THR B 47 -14.134 -2.457 -6.155 1.00 0.00 H new ATOM 0 HB THR B 47 -14.107 0.118 -6.007 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.910 -0.217 -4.234 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.421 0.106 -3.562 1.00 0.00 H new ATOM 0 HG22 THR B 47 -15.205 -1.295 -4.331 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.658 -1.499 -3.475 1.00 0.00 H new ATOM 2071 N SER B 48 -11.710 -1.023 -7.891 1.00 0.00 N ATOM 2072 CA SER B 48 -11.353 -0.591 -9.238 1.00 0.00 C ATOM 2073 C SER B 48 -10.907 -1.767 -10.104 1.00 0.00 C ATOM 2074 O SER B 48 -11.221 -1.828 -11.295 1.00 0.00 O ATOM 2075 CB SER B 48 -10.261 0.484 -9.189 1.00 0.00 C ATOM 2076 OG SER B 48 -9.093 0.009 -8.539 1.00 0.00 O ATOM 0 H SER B 48 -10.968 -0.919 -7.199 1.00 0.00 H new ATOM 0 HA SER B 48 -12.245 -0.162 -9.694 1.00 0.00 H new ATOM 0 HB2 SER B 48 -10.012 0.798 -10.203 1.00 0.00 H new ATOM 0 HB3 SER B 48 -10.638 1.363 -8.666 1.00 0.00 H new ATOM 0 HG SER B 48 -9.251 -0.034 -7.573 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.190 -2.705 -9.504 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.672 -3.853 -10.233 1.00 0.00 C ATOM 2084 C ILE B 49 -10.663 -5.014 -10.147 1.00 0.00 C ATOM 2085 O ILE B 49 -11.425 -5.114 -9.184 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.291 -4.289 -9.677 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.307 -3.110 -9.698 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.723 -5.463 -10.466 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -7.050 -2.547 -11.081 1.00 0.00 C ATOM 0 H ILE B 49 -9.953 -2.694 -8.512 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.542 -3.566 -11.277 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.434 -4.612 -8.646 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.694 -2.316 -9.060 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -6.360 -3.433 -9.266 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.755 -5.745 -10.052 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.406 -6.310 -10.401 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.601 -5.175 -11.510 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -6.345 -1.718 -11.011 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.632 -3.326 -11.719 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.987 -2.191 -11.509 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.672 -5.860 -11.173 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.548 -7.025 -11.207 1.00 0.00 C ATOM 2103 C ALA B 50 -11.364 -7.886 -9.959 1.00 0.00 C ATOM 2104 O ALA B 50 -10.254 -8.339 -9.663 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.282 -7.845 -12.461 1.00 0.00 C ATOM 0 H ALA B 50 -10.078 -5.759 -11.996 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.580 -6.675 -11.226 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.942 -8.712 -12.475 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.469 -7.232 -13.343 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.244 -8.179 -12.464 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.459 -8.134 -9.222 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.428 -8.861 -7.944 1.00 0.00 C ATOM 2113 C PRO B 51 -11.993 -10.320 -8.086 1.00 0.00 C ATOM 2114 O PRO B 51 -11.872 -11.038 -7.095 1.00 0.00 O ATOM 2115 CB PRO B 51 -13.877 -8.784 -7.440 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.506 -7.690 -8.232 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.822 -7.710 -9.566 1.00 0.00 C ATOM 0 HA PRO B 51 -11.698 -8.421 -7.264 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.398 -9.730 -7.591 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -13.912 -8.568 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.579 -7.851 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.376 -6.726 -7.740 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.300 -8.405 -10.256 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -13.833 -6.729 -10.042 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.759 -10.750 -9.315 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.291 -12.101 -9.574 1.00 0.00 C ATOM 2127 C ALA B 52 -9.781 -12.203 -9.385 1.00 0.00 C ATOM 2128 O ALA B 52 -9.255 -13.267 -9.063 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.679 -12.534 -10.980 1.00 0.00 C ATOM 0 H ALA B 52 -11.886 -10.180 -10.152 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.768 -12.769 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -11.322 -13.548 -11.160 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.764 -12.508 -11.082 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.230 -11.857 -11.706 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.085 -11.088 -9.566 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.630 -11.087 -9.479 1.00 0.00 C ATOM 2137 C GLN B 53 -7.144 -10.061 -8.462 1.00 0.00 C ATOM 2138 O GLN B 53 -5.957 -9.744 -8.409 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.015 -10.801 -10.850 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.363 -9.433 -11.408 1.00 0.00 C ATOM 2141 CD GLN B 53 -6.751 -9.194 -12.769 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -5.631 -8.697 -12.885 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -7.483 -9.550 -13.808 1.00 0.00 N ATOM 0 H GLN B 53 -9.500 -10.179 -9.772 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.311 -12.075 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.931 -10.887 -10.776 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.348 -11.565 -11.553 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.447 -9.337 -11.478 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.018 -8.663 -10.717 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.407 -9.959 -13.665 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.125 -9.417 -14.754 1.00 0.00 H new ATOM 2152 N ARG B 54 -8.067 -9.562 -7.646 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.745 -8.564 -6.624 1.00 0.00 C ATOM 2154 C ARG B 54 -6.630 -9.052 -5.698 1.00 0.00 C ATOM 2155 O ARG B 54 -5.744 -8.286 -5.320 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.995 -8.218 -5.809 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.760 -9.439 -5.329 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.991 -9.059 -4.522 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.896 -10.197 -4.362 1.00 0.00 N ATOM 2160 CZ ARG B 54 -11.923 -10.986 -3.291 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -11.114 -10.749 -2.269 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -12.761 -12.013 -3.244 1.00 0.00 N ATOM 0 H ARG B 54 -9.050 -9.832 -7.671 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.390 -7.668 -7.133 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.703 -7.619 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -9.656 -7.600 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -10.061 -10.039 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -9.105 -10.061 -4.719 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.687 -8.694 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.515 -8.242 -5.018 1.00 0.00 H new ATOM 0 HE ARG B 54 -12.548 -10.399 -5.120 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -10.468 -9.960 -2.302 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -11.137 -11.355 -1.449 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.385 -12.198 -4.029 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -12.781 -12.618 -2.423 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.662 -10.335 -5.354 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.646 -10.906 -4.484 1.00 0.00 C ATOM 2178 C GLN B 55 -4.312 -11.002 -5.212 1.00 0.00 C ATOM 2179 O GLN B 55 -3.264 -10.717 -4.638 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.062 -12.290 -3.989 1.00 0.00 C ATOM 2181 CG GLN B 55 -5.044 -12.925 -3.055 1.00 0.00 C ATOM 2182 CD GLN B 55 -5.359 -14.371 -2.746 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -5.957 -15.076 -3.560 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -4.948 -14.827 -1.575 1.00 0.00 N ATOM 0 H GLN B 55 -7.377 -10.994 -5.663 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.537 -10.246 -3.623 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -7.019 -12.211 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -6.215 -12.944 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -4.054 -12.861 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -5.007 -12.358 -2.125 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -4.456 -14.208 -0.931 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -5.123 -15.798 -1.316 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.362 -11.398 -6.480 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.159 -11.534 -7.295 1.00 0.00 C ATOM 2195 C ALA B 56 -2.433 -10.199 -7.424 1.00 0.00 C ATOM 2196 O ALA B 56 -1.206 -10.137 -7.343 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.510 -12.087 -8.669 1.00 0.00 C ATOM 0 H ALA B 56 -5.227 -11.631 -6.968 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.488 -12.235 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.603 -12.183 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -3.977 -13.066 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.202 -11.409 -9.168 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.202 -9.132 -7.612 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.640 -7.788 -7.709 1.00 0.00 C ATOM 2205 C ILE B 57 -1.994 -7.386 -6.386 1.00 0.00 C ATOM 2206 O ILE B 57 -0.867 -6.893 -6.357 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.718 -6.751 -8.099 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -4.357 -7.122 -9.444 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -3.122 -5.350 -8.161 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -3.367 -7.210 -10.591 1.00 0.00 C ATOM 0 H ILE B 57 -4.217 -9.171 -7.700 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.882 -7.804 -8.492 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.493 -6.759 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -4.866 -8.081 -9.341 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -5.118 -6.382 -9.690 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.898 -4.636 -8.437 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.715 -5.084 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -2.326 -5.326 -8.905 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.894 -7.476 -11.507 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -2.876 -6.246 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -2.619 -7.971 -10.368 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.709 -7.622 -5.291 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.191 -7.321 -3.960 1.00 0.00 C ATOM 2224 C ALA B 58 -0.949 -8.154 -3.664 1.00 0.00 C ATOM 2225 O ALA B 58 0.008 -7.672 -3.058 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.257 -7.573 -2.906 1.00 0.00 C ATOM 0 H ALA B 58 -3.648 -8.020 -5.298 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.914 -6.267 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.854 -7.344 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.120 -6.937 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.562 -8.619 -2.939 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.968 -9.405 -4.105 1.00 0.00 N ATOM 2233 CA ASN B 59 0.163 -10.305 -3.925 1.00 0.00 C ATOM 2234 C ASN B 59 1.368 -9.794 -4.708 1.00 0.00 C ATOM 2235 O ASN B 59 2.493 -9.807 -4.212 1.00 0.00 O ATOM 2236 CB ASN B 59 -0.206 -11.723 -4.376 1.00 0.00 C ATOM 2237 CG ASN B 59 0.852 -12.752 -4.015 1.00 0.00 C ATOM 2238 OD1 ASN B 59 1.785 -12.995 -4.779 1.00 0.00 O ATOM 2239 ND2 ASN B 59 0.706 -13.376 -2.855 1.00 0.00 N ATOM 0 H ASN B 59 -1.761 -9.822 -4.593 1.00 0.00 H new ATOM 0 HA ASN B 59 0.421 -10.337 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -1.154 -12.009 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN B 59 -0.357 -11.728 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN B 59 1.381 -14.085 -2.569 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -0.081 -13.147 -2.248 1.00 0.00 H new ATOM 2246 N SER B 60 1.122 -9.323 -5.926 1.00 0.00 N ATOM 2247 CA SER B 60 2.175 -8.755 -6.761 1.00 0.00 C ATOM 2248 C SER B 60 2.753 -7.496 -6.113 1.00 0.00 C ATOM 2249 O SER B 60 3.968 -7.292 -6.099 1.00 0.00 O ATOM 2250 CB SER B 60 1.628 -8.429 -8.152 1.00 0.00 C ATOM 2251 OG SER B 60 1.081 -9.586 -8.764 1.00 0.00 O ATOM 0 H SER B 60 0.198 -9.323 -6.359 1.00 0.00 H new ATOM 0 HA SER B 60 2.973 -9.491 -6.860 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.862 -7.657 -8.074 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.426 -8.025 -8.776 1.00 0.00 H new ATOM 0 HG SER B 60 0.195 -9.767 -8.387 1.00 0.00 H new ATOM 2257 N PHE B 61 1.869 -6.669 -5.564 1.00 0.00 N ATOM 2258 CA PHE B 61 2.278 -5.468 -4.844 1.00 0.00 C ATOM 2259 C PHE B 61 3.177 -5.845 -3.671 1.00 0.00 C ATOM 2260 O PHE B 61 4.216 -5.223 -3.439 1.00 0.00 O ATOM 2261 CB PHE B 61 1.041 -4.709 -4.349 1.00 0.00 C ATOM 2262 CG PHE B 61 1.347 -3.408 -3.657 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.521 -2.245 -4.388 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.460 -3.349 -2.276 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.799 -1.048 -3.757 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.739 -2.154 -1.639 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.911 -1.002 -2.381 1.00 0.00 C ATOM 0 H PHE B 61 0.860 -6.810 -5.605 1.00 0.00 H new ATOM 0 HA PHE B 61 2.838 -4.820 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.388 -4.510 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.486 -5.350 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.438 -2.274 -5.464 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.328 -4.247 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.929 -0.148 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.822 -2.121 -0.563 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.132 -0.068 -1.887 1.00 0.00 H new ATOM 2277 N ALA B 62 2.774 -6.883 -2.948 1.00 0.00 N ATOM 2278 CA ALA B 62 3.539 -7.380 -1.814 1.00 0.00 C ATOM 2279 C ALA B 62 4.920 -7.870 -2.247 1.00 0.00 C ATOM 2280 O ALA B 62 5.910 -7.648 -1.550 1.00 0.00 O ATOM 2281 CB ALA B 62 2.778 -8.497 -1.120 1.00 0.00 C ATOM 0 H ALA B 62 1.914 -7.400 -3.130 1.00 0.00 H new ATOM 0 HA ALA B 62 3.681 -6.556 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.359 -8.862 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.819 -8.119 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.609 -9.313 -1.822 1.00 0.00 H new ATOM 2287 N ARG B 63 4.976 -8.540 -3.396 1.00 0.00 N ATOM 2288 CA ARG B 63 6.246 -9.016 -3.944 1.00 0.00 C ATOM 2289 C ARG B 63 7.168 -7.842 -4.238 1.00 0.00 C ATOM 2290 O ARG B 63 8.345 -7.854 -3.871 1.00 0.00 O ATOM 2291 CB ARG B 63 6.023 -9.805 -5.237 1.00 0.00 C ATOM 2292 CG ARG B 63 5.135 -11.026 -5.087 1.00 0.00 C ATOM 2293 CD ARG B 63 4.972 -11.747 -6.415 1.00 0.00 C ATOM 2294 NE ARG B 63 3.951 -12.792 -6.357 1.00 0.00 N ATOM 2295 CZ ARG B 63 3.838 -13.774 -7.250 1.00 0.00 C ATOM 2296 NH1 ARG B 63 4.730 -13.900 -8.226 1.00 0.00 N ATOM 2297 NH2 ARG B 63 2.837 -14.643 -7.153 1.00 0.00 N ATOM 0 H ARG B 63 4.160 -8.766 -3.965 1.00 0.00 H new ATOM 0 HA ARG B 63 6.703 -9.668 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.583 -9.141 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG B 63 6.991 -10.122 -5.625 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.565 -11.705 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.158 -10.725 -4.710 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.707 -11.025 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG B 63 5.925 -12.189 -6.705 1.00 0.00 H new ATOM 0 HE ARG B 63 3.284 -12.768 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.507 -13.243 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG B 63 4.638 -14.654 -8.907 1.00 0.00 H new ATOM 0 HH21 ARG B 63 2.158 -14.557 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG B 63 2.748 -15.396 -7.835 1.00 0.00 H new ATOM 2311 N ALA B 64 6.617 -6.826 -4.892 1.00 0.00 N ATOM 2312 CA ALA B 64 7.379 -5.646 -5.278 1.00 0.00 C ATOM 2313 C ALA B 64 7.926 -4.920 -4.056 1.00 0.00 C ATOM 2314 O ALA B 64 9.106 -4.579 -4.012 1.00 0.00 O ATOM 2315 CB ALA B 64 6.516 -4.710 -6.112 1.00 0.00 C ATOM 0 H ALA B 64 5.635 -6.797 -5.168 1.00 0.00 H new ATOM 0 HA ALA B 64 8.227 -5.973 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.098 -3.832 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.182 -5.228 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.649 -4.399 -5.529 1.00 0.00 H new ATOM 2321 N LEU B 65 7.068 -4.713 -3.062 1.00 0.00 N ATOM 2322 CA LEU B 65 7.446 -4.007 -1.837 1.00 0.00 C ATOM 2323 C LEU B 65 8.628 -4.689 -1.145 1.00 0.00 C ATOM 2324 O LEU B 65 9.556 -4.030 -0.678 1.00 0.00 O ATOM 2325 CB LEU B 65 6.250 -3.945 -0.881 1.00 0.00 C ATOM 2326 CG LEU B 65 6.493 -3.192 0.428 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.769 -1.718 0.160 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.303 -3.349 1.362 1.00 0.00 C ATOM 0 H LEU B 65 6.097 -5.026 -3.079 1.00 0.00 H new ATOM 0 HA LEU B 65 7.749 -2.996 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.415 -3.475 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU B 65 5.944 -4.964 -0.643 1.00 0.00 H new ATOM 0 HG LEU B 65 7.371 -3.622 0.910 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.939 -1.202 1.105 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.653 -1.622 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.912 -1.274 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.493 -2.807 2.288 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.410 -2.948 0.884 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.152 -4.405 1.584 1.00 0.00 H new ATOM 2340 N GLN B 66 8.599 -6.015 -1.104 1.00 0.00 N ATOM 2341 CA GLN B 66 9.644 -6.787 -0.444 1.00 0.00 C ATOM 2342 C GLN B 66 10.899 -6.882 -1.314 1.00 0.00 C ATOM 2343 O GLN B 66 11.937 -7.372 -0.871 1.00 0.00 O ATOM 2344 CB GLN B 66 9.127 -8.183 -0.109 1.00 0.00 C ATOM 2345 CG GLN B 66 7.977 -8.183 0.885 1.00 0.00 C ATOM 2346 CD GLN B 66 7.355 -9.553 1.049 1.00 0.00 C ATOM 2347 OE1 GLN B 66 7.765 -10.340 1.902 1.00 0.00 O ATOM 2348 NE2 GLN B 66 6.361 -9.848 0.231 1.00 0.00 N ATOM 0 H GLN B 66 7.860 -6.580 -1.522 1.00 0.00 H new ATOM 0 HA GLN B 66 9.915 -6.273 0.478 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.802 -8.671 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN B 66 9.946 -8.777 0.296 1.00 0.00 H new ATOM 0 HG2 GLN B 66 8.337 -7.832 1.852 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.214 -7.478 0.554 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.052 -9.167 -0.462 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.903 -10.757 0.292 1.00 0.00 H new ATOM 2357 N SER B 67 10.791 -6.421 -2.552 1.00 0.00 N ATOM 2358 CA SER B 67 11.921 -6.420 -3.469 1.00 0.00 C ATOM 2359 C SER B 67 12.580 -5.043 -3.516 1.00 0.00 C ATOM 2360 O SER B 67 13.801 -4.931 -3.651 1.00 0.00 O ATOM 2361 CB SER B 67 11.458 -6.830 -4.868 1.00 0.00 C ATOM 2362 OG SER B 67 10.851 -8.116 -4.847 1.00 0.00 O ATOM 0 H SER B 67 9.929 -6.042 -2.945 1.00 0.00 H new ATOM 0 HA SER B 67 12.657 -7.139 -3.111 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.749 -6.095 -5.250 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.309 -6.836 -5.549 1.00 0.00 H new ATOM 0 HG SER B 67 9.896 -8.024 -4.648 1.00 0.00 H new ATOM 2368 N SER B 68 11.770 -3.997 -3.402 1.00 0.00 N ATOM 2369 CA SER B 68 12.266 -2.633 -3.436 1.00 0.00 C ATOM 2370 C SER B 68 12.987 -2.282 -2.138 1.00 0.00 C ATOM 2371 O SER B 68 14.026 -1.618 -2.150 1.00 0.00 O ATOM 2372 CB SER B 68 11.107 -1.674 -3.697 1.00 0.00 C ATOM 2373 OG SER B 68 10.002 -1.979 -2.861 1.00 0.00 O ATOM 0 H SER B 68 10.760 -4.072 -3.284 1.00 0.00 H new ATOM 0 HA SER B 68 12.989 -2.539 -4.246 1.00 0.00 H new ATOM 0 HB2 SER B 68 11.431 -0.648 -3.519 1.00 0.00 H new ATOM 0 HB3 SER B 68 10.806 -1.737 -4.743 1.00 0.00 H new ATOM 0 HG SER B 68 9.514 -1.156 -2.650 1.00 0.00 H new ATOM 2379 N ILE B 69 12.434 -2.727 -1.015 1.00 0.00 N ATOM 2380 CA ILE B 69 13.090 -2.560 0.269 1.00 0.00 C ATOM 2381 C ILE B 69 14.210 -3.590 0.405 1.00 0.00 C ATOM 2382 O ILE B 69 13.998 -4.712 0.871 1.00 0.00 O ATOM 2383 CB ILE B 69 12.097 -2.690 1.448 1.00 0.00 C ATOM 2384 CG1 ILE B 69 10.956 -1.676 1.291 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.812 -2.488 2.775 1.00 0.00 C ATOM 2386 CD1 ILE B 69 9.919 -1.743 2.395 1.00 0.00 C ATOM 0 H ILE B 69 11.534 -3.205 -0.972 1.00 0.00 H new ATOM 0 HA ILE B 69 13.506 -1.553 0.308 1.00 0.00 H new ATOM 0 HB ILE B 69 11.675 -3.695 1.439 1.00 0.00 H new ATOM 0 HG12 ILE B 69 11.377 -0.671 1.262 1.00 0.00 H new ATOM 0 HG13 ILE B 69 10.464 -1.843 0.333 1.00 0.00 H new ATOM 0 HG21 ILE B 69 12.097 -2.583 3.592 1.00 0.00 H new ATOM 0 HG22 ILE B 69 13.592 -3.241 2.886 1.00 0.00 H new ATOM 0 HG23 ILE B 69 13.260 -1.495 2.799 1.00 0.00 H new ATOM 0 HD11 ILE B 69 9.146 -0.996 2.214 1.00 0.00 H new ATOM 0 HD12 ILE B 69 9.468 -2.735 2.411 1.00 0.00 H new ATOM 0 HD13 ILE B 69 10.396 -1.545 3.355 1.00 0.00 H new ATOM 2398 N ASN B 70 15.396 -3.201 -0.041 1.00 0.00 N ATOM 2399 CA ASN B 70 16.536 -4.107 -0.115 1.00 0.00 C ATOM 2400 C ASN B 70 17.117 -4.423 1.259 1.00 0.00 C ATOM 2401 O ASN B 70 16.843 -3.744 2.249 1.00 0.00 O ATOM 2402 CB ASN B 70 17.633 -3.532 -1.024 1.00 0.00 C ATOM 2403 CG ASN B 70 18.108 -2.146 -0.612 1.00 0.00 C ATOM 2404 OD1 ASN B 70 18.051 -1.768 0.557 1.00 0.00 O ATOM 2405 ND2 ASN B 70 18.590 -1.378 -1.577 1.00 0.00 N ATOM 0 H ASN B 70 15.596 -2.253 -0.361 1.00 0.00 H new ATOM 0 HA ASN B 70 16.166 -5.039 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN B 70 18.485 -4.212 -1.025 1.00 0.00 H new ATOM 0 HB3 ASN B 70 17.259 -3.488 -2.047 1.00 0.00 H new ATOM 0 HD21 ASN B 70 18.929 -0.440 -1.361 1.00 0.00 H new ATOM 0 HD22 ASN B 70 18.622 -1.724 -2.536 1.00 0.00 H new ATOM 2412 N GLU B 71 17.922 -5.471 1.298 1.00 0.00 N ATOM 2413 CA GLU B 71 18.611 -5.881 2.511 1.00 0.00 C ATOM 2414 C GLU B 71 20.113 -5.872 2.277 1.00 0.00 C ATOM 2415 O GLU B 71 20.877 -6.507 3.009 1.00 0.00 O ATOM 2416 CB GLU B 71 18.146 -7.277 2.917 1.00 0.00 C ATOM 2417 CG GLU B 71 18.297 -8.303 1.806 1.00 0.00 C ATOM 2418 CD GLU B 71 17.642 -9.618 2.145 1.00 0.00 C ATOM 2419 OE1 GLU B 71 16.447 -9.784 1.826 1.00 0.00 O ATOM 2420 OE2 GLU B 71 18.320 -10.488 2.728 1.00 0.00 O ATOM 0 H GLU B 71 18.117 -6.062 0.490 1.00 0.00 H new ATOM 0 HA GLU B 71 18.378 -5.183 3.315 1.00 0.00 H new ATOM 0 HB2 GLU B 71 18.716 -7.605 3.786 1.00 0.00 H new ATOM 0 HB3 GLU B 71 17.100 -7.231 3.221 1.00 0.00 H new ATOM 0 HG2 GLU B 71 17.860 -7.908 0.889 1.00 0.00 H new ATOM 0 HG3 GLU B 71 19.356 -8.468 1.609 1.00 0.00 H new ATOM 2427 N ASP B 72 20.527 -5.146 1.248 1.00 0.00 N ATOM 2428 CA ASP B 72 21.930 -5.085 0.865 1.00 0.00 C ATOM 2429 C ASP B 72 22.732 -4.267 1.867 1.00 0.00 C ATOM 2430 O ASP B 72 22.322 -3.171 2.253 1.00 0.00 O ATOM 2431 CB ASP B 72 22.078 -4.486 -0.534 1.00 0.00 C ATOM 2432 CG ASP B 72 23.530 -4.320 -0.933 1.00 0.00 C ATOM 2433 OD1 ASP B 72 24.160 -5.329 -1.315 1.00 0.00 O ATOM 2434 OD2 ASP B 72 24.045 -3.186 -0.854 1.00 0.00 O ATOM 0 H ASP B 72 19.907 -4.588 0.661 1.00 0.00 H new ATOM 0 HA ASP B 72 22.320 -6.103 0.858 1.00 0.00 H new ATOM 0 HB2 ASP B 72 21.575 -5.128 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP B 72 21.580 -3.517 -0.567 1.00 0.00 H new ATOM 2439 N LYS B 73 23.865 -4.805 2.290 1.00 0.00 N ATOM 2440 CA LYS B 73 24.707 -4.137 3.270 1.00 0.00 C ATOM 2441 C LYS B 73 26.023 -3.672 2.648 1.00 0.00 C ATOM 2442 O LYS B 73 27.032 -3.516 3.341 1.00 0.00 O ATOM 2443 CB LYS B 73 24.967 -5.064 4.459 1.00 0.00 C ATOM 2444 CG LYS B 73 23.718 -5.335 5.286 1.00 0.00 C ATOM 2445 CD LYS B 73 24.012 -6.210 6.491 1.00 0.00 C ATOM 2446 CE LYS B 73 22.777 -6.368 7.361 1.00 0.00 C ATOM 2447 NZ LYS B 73 23.016 -7.270 8.517 1.00 0.00 N ATOM 0 H LYS B 73 24.223 -5.704 1.969 1.00 0.00 H new ATOM 0 HA LYS B 73 24.180 -3.251 3.624 1.00 0.00 H new ATOM 0 HB2 LYS B 73 25.367 -6.010 4.094 1.00 0.00 H new ATOM 0 HB3 LYS B 73 25.730 -4.620 5.098 1.00 0.00 H new ATOM 0 HG2 LYS B 73 23.292 -4.389 5.620 1.00 0.00 H new ATOM 0 HG3 LYS B 73 22.967 -5.819 4.661 1.00 0.00 H new ATOM 0 HD2 LYS B 73 24.355 -7.190 6.159 1.00 0.00 H new ATOM 0 HD3 LYS B 73 24.820 -5.771 7.076 1.00 0.00 H new ATOM 0 HE2 LYS B 73 22.463 -5.389 7.725 1.00 0.00 H new ATOM 0 HE3 LYS B 73 21.958 -6.762 6.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 22.146 -7.348 9.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 23.290 -8.212 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 23.779 -6.882 9.108 1.00 0.00 H new ATOM 2461 N ALA B 74 26.004 -3.428 1.342 1.00 0.00 N ATOM 2462 CA ALA B 74 27.163 -2.872 0.658 1.00 0.00 C ATOM 2463 C ALA B 74 27.088 -1.350 0.667 1.00 0.00 C ATOM 2464 O ALA B 74 27.979 -0.668 0.159 1.00 0.00 O ATOM 2465 CB ALA B 74 27.257 -3.398 -0.766 1.00 0.00 C ATOM 0 H ALA B 74 25.201 -3.606 0.739 1.00 0.00 H new ATOM 0 HA ALA B 74 28.063 -3.184 1.187 1.00 0.00 H new ATOM 0 HB1 ALA B 74 28.131 -2.968 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA B 74 27.349 -4.484 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA B 74 26.359 -3.119 -1.317 1.00 0.00 H new ATOM 2471 N HIS B 75 26.000 -0.841 1.257 1.00 0.00 N ATOM 2472 CA HIS B 75 25.767 0.595 1.437 1.00 0.00 C ATOM 2473 C HIS B 75 25.430 1.264 0.111 1.00 0.00 C ATOM 2474 O HIS B 75 25.556 0.662 -0.957 1.00 0.00 O ATOM 2475 CB HIS B 75 26.985 1.304 2.061 1.00 0.00 C ATOM 2476 CG HIS B 75 27.494 0.688 3.331 1.00 0.00 C ATOM 2477 ND1 HIS B 75 28.713 1.014 3.881 1.00 0.00 N ATOM 2478 CD2 HIS B 75 26.957 -0.252 4.143 1.00 0.00 C ATOM 2479 CE1 HIS B 75 28.905 0.299 4.971 1.00 0.00 C ATOM 2480 NE2 HIS B 75 27.855 -0.480 5.155 1.00 0.00 N ATOM 0 H HIS B 75 25.248 -1.423 1.627 1.00 0.00 H new ATOM 0 HA HIS B 75 24.923 0.688 2.120 1.00 0.00 H new ATOM 0 HB2 HIS B 75 27.794 1.315 1.330 1.00 0.00 H new ATOM 0 HB3 HIS B 75 26.720 2.343 2.259 1.00 0.00 H new ATOM 0 HD2 HIS B 75 25.999 -0.734 4.018 1.00 0.00 H new ATOM 0 HE1 HIS B 75 29.776 0.343 5.608 1.00 0.00 H new ATOM 0 HE2 HIS B 75 27.732 -1.141 5.922 1.00 0.00 H new ATOM 2489 N LEU B 76 24.981 2.508 0.182 1.00 0.00 N ATOM 2490 CA LEU B 76 24.815 3.307 -1.015 1.00 0.00 C ATOM 2491 C LEU B 76 26.191 3.744 -1.499 1.00 0.00 C ATOM 2492 O LEU B 76 26.832 4.613 -0.905 1.00 0.00 O ATOM 2493 CB LEU B 76 23.894 4.520 -0.780 1.00 0.00 C ATOM 2494 CG LEU B 76 24.347 5.542 0.275 1.00 0.00 C ATOM 2495 CD1 LEU B 76 23.603 6.853 0.081 1.00 0.00 C ATOM 2496 CD2 LEU B 76 24.115 5.015 1.686 1.00 0.00 C ATOM 0 H LEU B 76 24.728 2.980 1.050 1.00 0.00 H new ATOM 0 HA LEU B 76 24.328 2.702 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU B 76 23.773 5.043 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU B 76 22.910 4.149 -0.492 1.00 0.00 H new ATOM 0 HG LEU B 76 25.416 5.711 0.147 1.00 0.00 H new ATOM 0 HD11 LEU B 76 23.930 7.572 0.833 1.00 0.00 H new ATOM 0 HD12 LEU B 76 23.813 7.247 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU B 76 22.531 6.682 0.184 1.00 0.00 H new ATOM 0 HD21 LEU B 76 24.445 5.759 2.411 1.00 0.00 H new ATOM 0 HD22 LEU B 76 23.053 4.814 1.829 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.681 4.094 1.828 1.00 0.00 H new ATOM 2508 N GLU B 77 26.654 3.099 -2.558 1.00 0.00 N ATOM 2509 CA GLU B 77 28.012 3.285 -3.038 1.00 0.00 C ATOM 2510 C GLU B 77 28.287 4.729 -3.431 1.00 0.00 C ATOM 2511 O GLU B 77 27.541 5.338 -4.197 1.00 0.00 O ATOM 2512 CB GLU B 77 28.293 2.367 -4.228 1.00 0.00 C ATOM 2513 CG GLU B 77 27.303 2.520 -5.374 1.00 0.00 C ATOM 2514 CD GLU B 77 27.764 1.823 -6.635 1.00 0.00 C ATOM 2515 OE1 GLU B 77 27.805 0.576 -6.644 1.00 0.00 O ATOM 2516 OE2 GLU B 77 28.093 2.522 -7.616 1.00 0.00 O ATOM 0 H GLU B 77 26.103 2.437 -3.105 1.00 0.00 H new ATOM 0 HA GLU B 77 28.678 3.028 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU B 77 29.298 2.568 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU B 77 28.281 1.332 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU B 77 26.337 2.116 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU B 77 27.154 3.580 -5.582 1.00 0.00 H new ATOM 2523 N HIS B 78 29.352 5.275 -2.875 1.00 0.00 N ATOM 2524 CA HIS B 78 29.891 6.534 -3.345 1.00 0.00 C ATOM 2525 C HIS B 78 31.043 6.208 -4.279 1.00 0.00 C ATOM 2526 O HIS B 78 32.117 5.806 -3.830 1.00 0.00 O ATOM 2527 CB HIS B 78 30.347 7.415 -2.178 1.00 0.00 C ATOM 2528 CG HIS B 78 29.245 7.757 -1.216 1.00 0.00 C ATOM 2529 ND1 HIS B 78 28.379 8.814 -1.404 1.00 0.00 N ATOM 2530 CD2 HIS B 78 28.864 7.168 -0.055 1.00 0.00 C ATOM 2531 CE1 HIS B 78 27.520 8.861 -0.403 1.00 0.00 C ATOM 2532 NE2 HIS B 78 27.790 7.874 0.427 1.00 0.00 N ATOM 0 H HIS B 78 29.862 4.863 -2.094 1.00 0.00 H new ATOM 0 HA HIS B 78 29.126 7.103 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS B 78 31.144 6.904 -1.638 1.00 0.00 H new ATOM 0 HB3 HIS B 78 30.771 8.338 -2.574 1.00 0.00 H new ATOM 0 HD2 HIS B 78 29.321 6.304 0.405 1.00 0.00 H new ATOM 0 HE1 HIS B 78 26.729 9.587 -0.284 1.00 0.00 H new ATOM 0 HE2 HIS B 78 27.283 7.668 1.288 1.00 0.00 H new ATOM 2541 N HIS B 79 30.788 6.343 -5.577 1.00 0.00 N ATOM 2542 CA HIS B 79 31.653 5.781 -6.613 1.00 0.00 C ATOM 2543 C HIS B 79 33.113 6.187 -6.450 1.00 0.00 C ATOM 2544 O HIS B 79 33.997 5.333 -6.487 1.00 0.00 O ATOM 2545 CB HIS B 79 31.150 6.188 -8.001 1.00 0.00 C ATOM 2546 CG HIS B 79 31.832 5.470 -9.129 1.00 0.00 C ATOM 2547 ND1 HIS B 79 32.094 6.059 -10.344 1.00 0.00 N ATOM 2548 CD2 HIS B 79 32.280 4.195 -9.229 1.00 0.00 C ATOM 2549 CE1 HIS B 79 32.674 5.181 -11.142 1.00 0.00 C ATOM 2550 NE2 HIS B 79 32.800 4.041 -10.490 1.00 0.00 N ATOM 0 H HIS B 79 29.978 6.844 -5.941 1.00 0.00 H new ATOM 0 HA HIS B 79 31.608 4.697 -6.506 1.00 0.00 H new ATOM 0 HB2 HIS B 79 30.078 5.999 -8.058 1.00 0.00 H new ATOM 0 HB3 HIS B 79 31.292 7.261 -8.128 1.00 0.00 H new ATOM 0 HD2 HIS B 79 32.236 3.439 -8.459 1.00 0.00 H new ATOM 0 HE1 HIS B 79 32.992 5.365 -12.158 1.00 0.00 H new ATOM 0 HE2 HIS B 79 33.215 3.187 -10.861 1.00 0.00 H new ATOM 2559 N HIS B 80 33.369 7.470 -6.261 1.00 0.00 N ATOM 2560 CA HIS B 80 34.738 7.957 -6.250 1.00 0.00 C ATOM 2561 C HIS B 80 35.216 8.275 -4.837 1.00 0.00 C ATOM 2562 O HIS B 80 34.598 9.057 -4.112 1.00 0.00 O ATOM 2563 CB HIS B 80 34.875 9.196 -7.143 1.00 0.00 C ATOM 2564 CG HIS B 80 36.289 9.664 -7.312 1.00 0.00 C ATOM 2565 ND1 HIS B 80 36.841 10.685 -6.569 1.00 0.00 N ATOM 2566 CD2 HIS B 80 37.268 9.238 -8.143 1.00 0.00 C ATOM 2567 CE1 HIS B 80 38.095 10.866 -6.937 1.00 0.00 C ATOM 2568 NE2 HIS B 80 38.380 10.001 -7.890 1.00 0.00 N ATOM 0 H HIS B 80 32.657 8.186 -6.115 1.00 0.00 H new ATOM 0 HA HIS B 80 35.369 7.160 -6.644 1.00 0.00 H new ATOM 0 HB2 HIS B 80 34.456 8.974 -8.124 1.00 0.00 H new ATOM 0 HB3 HIS B 80 34.282 10.006 -6.719 1.00 0.00 H new ATOM 0 HD2 HIS B 80 37.189 8.444 -8.871 1.00 0.00 H new ATOM 0 HE1 HIS B 80 38.774 11.599 -6.527 1.00 0.00 H new ATOM 0 HE2 HIS B 80 39.280 9.913 -8.362 1.00 0.00 H new ATOM 2577 N HIS B 81 36.317 7.650 -4.456 1.00 0.00 N ATOM 2578 CA HIS B 81 37.016 7.983 -3.221 1.00 0.00 C ATOM 2579 C HIS B 81 38.493 8.171 -3.537 1.00 0.00 C ATOM 2580 O HIS B 81 39.024 9.275 -3.451 1.00 0.00 O ATOM 2581 CB HIS B 81 36.824 6.894 -2.159 1.00 0.00 C ATOM 2582 CG HIS B 81 37.517 7.187 -0.859 1.00 0.00 C ATOM 2583 ND1 HIS B 81 37.068 8.128 0.042 1.00 0.00 N ATOM 2584 CD2 HIS B 81 38.642 6.664 -0.317 1.00 0.00 C ATOM 2585 CE1 HIS B 81 37.886 8.171 1.076 1.00 0.00 C ATOM 2586 NE2 HIS B 81 38.849 7.294 0.883 1.00 0.00 N ATOM 0 H HIS B 81 36.753 6.899 -4.991 1.00 0.00 H new ATOM 0 HA HIS B 81 36.603 8.905 -2.812 1.00 0.00 H new ATOM 0 HB2 HIS B 81 35.758 6.767 -1.971 1.00 0.00 H new ATOM 0 HB3 HIS B 81 37.194 5.947 -2.552 1.00 0.00 H new ATOM 0 HD2 HIS B 81 39.262 5.893 -0.750 1.00 0.00 H new ATOM 0 HE1 HIS B 81 37.783 8.817 1.936 1.00 0.00 H new ATOM 0 HE2 HIS B 81 39.623 7.113 1.522 1.00 0.00 H new ATOM 2595 N HIS B 82 39.146 7.082 -3.903 1.00 0.00 N ATOM 2596 CA HIS B 82 40.479 7.148 -4.485 1.00 0.00 C ATOM 2597 C HIS B 82 40.368 6.731 -5.940 1.00 0.00 C ATOM 2598 O HIS B 82 40.915 7.368 -6.837 1.00 0.00 O ATOM 2599 CB HIS B 82 41.459 6.237 -3.738 1.00 0.00 C ATOM 2600 CG HIS B 82 42.837 6.231 -4.329 1.00 0.00 C ATOM 2601 ND1 HIS B 82 43.360 5.153 -5.007 1.00 0.00 N ATOM 2602 CD2 HIS B 82 43.797 7.185 -4.349 1.00 0.00 C ATOM 2603 CE1 HIS B 82 44.582 5.444 -5.416 1.00 0.00 C ATOM 2604 NE2 HIS B 82 44.871 6.669 -5.030 1.00 0.00 N ATOM 0 H HIS B 82 38.775 6.137 -3.808 1.00 0.00 H new ATOM 0 HA HIS B 82 40.867 8.164 -4.406 1.00 0.00 H new ATOM 0 HB2 HIS B 82 41.520 6.557 -2.698 1.00 0.00 H new ATOM 0 HB3 HIS B 82 41.068 5.219 -3.736 1.00 0.00 H new ATOM 0 HD2 HIS B 82 43.730 8.170 -3.910 1.00 0.00 H new ATOM 0 HE1 HIS B 82 45.234 4.788 -5.973 1.00 0.00 H new ATOM 0 HE2 HIS B 82 45.750 7.155 -5.208 1.00 0.00 H new ATOM 2613 N HIS B 83 39.650 5.642 -6.141 1.00 0.00 N ATOM 2614 CA HIS B 83 39.254 5.205 -7.461 1.00 0.00 C ATOM 2615 C HIS B 83 37.915 5.837 -7.807 1.00 0.00 C ATOM 2616 O HIS B 83 37.742 6.270 -8.958 1.00 0.00 O ATOM 2617 CB HIS B 83 39.162 3.677 -7.504 1.00 0.00 C ATOM 2618 CG HIS B 83 38.429 3.135 -8.693 1.00 0.00 C ATOM 2619 ND1 HIS B 83 37.321 2.327 -8.576 1.00 0.00 N ATOM 2620 CD2 HIS B 83 38.654 3.274 -10.022 1.00 0.00 C ATOM 2621 CE1 HIS B 83 36.894 1.990 -9.778 1.00 0.00 C ATOM 2622 NE2 HIS B 83 37.685 2.552 -10.673 1.00 0.00 N ATOM 2623 OXT HIS B 83 37.059 5.923 -6.904 1.00 0.00 O ATOM 0 H HIS B 83 39.325 5.035 -5.388 1.00 0.00 H new ATOM 0 HA HIS B 83 39.998 5.517 -8.194 1.00 0.00 H new ATOM 0 HB2 HIS B 83 40.171 3.264 -7.495 1.00 0.00 H new ATOM 0 HB3 HIS B 83 38.667 3.329 -6.597 1.00 0.00 H new ATOM 0 HD2 HIS B 83 39.447 3.845 -10.482 1.00 0.00 H new ATOM 0 HE1 HIS B 83 36.042 1.361 -9.993 1.00 0.00 H new ATOM 0 HE2 HIS B 83 37.591 2.464 -11.685 1.00 0.00 H new TER 2632 HIS B 83