USER MOD reduce.3.24.130724 H: found=0, std=0, add=1066, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1056 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 27 THR OG1 : rot -140:sc= -0.296 USER MOD Set 1.2: B 5 GLN : amide:sc= -1.23 X(o=-1.5,f=-2) USER MOD Set 2.1: A 70 HIS : no HD1:sc= -2.74! C(o=-6.3!,f=-7.3!) USER MOD Set 2.2: A 71 HIS :FLIP no HD1:sc= -3.55! C(o=-6.9!,f=-6.3!) USER MOD Set 3.1: A 5 GLN :FLIP amide:sc= -1.41 F(o=-3.3!,f=-0.64) USER MOD Set 3.2: B 27 THR OG1 : rot -158:sc= 0.772 USER MOD Set 4.1: A 1 MET N :NH3+ -173:sc= 0.299 (180deg=-0.326) USER MOD Set 4.2: A 3 ASN : amide:sc= -1.9! K(o=-1.6!,f=-3.1) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.109 (180deg=-0.766) USER MOD Single : A 8 SER OG : rot 12:sc= 1.17 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.387 K(o=-0.39,f=-5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00991 K(o=-0.0099,f=-2.1!) USER MOD Single : A 33 SER OG : rot 112:sc= 0.0337 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= -0.302 (180deg=-1.34!) USER MOD Single : A 50 GLN : amide:sc= -3.18! C(o=-3.2!,f=-4.4!) USER MOD Single : A 62 TYR OH : rot 70:sc= -0.48 USER MOD Single : A 66 HIS : no HE2:sc= -0.26 X(o=-0.26,f=-0.43) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.34 F(o=-0.89,f=-0.34) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.999 F(o=-2.7!,f=-1) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -162:sc= -0.0551 (180deg=-0.652) USER MOD Single : B 3 ASN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : B 8 SER OG : rot 171:sc= -0.327 USER MOD Single : B 10 THR OG1 : rot 160:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -108:sc= -1.71 (180deg=-3.72!) USER MOD Single : B 16 GLN : amide:sc= -1.04 K(o=-1,f=-7.5!) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 33 SER OG : rot -75:sc= -0.819! USER MOD Single : B 35 LYS NZ :NH3+ 138:sc= -1.94! (180deg=-4.22!) USER MOD Single : B 38 LYS NZ :NH3+ -161:sc= -0.0265 (180deg=-0.369) USER MOD Single : B 47 LYS NZ :NH3+ 164:sc=-0.00335 (180deg=-0.137) USER MOD Single : B 50 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.4) USER MOD Single : B 62 TYR OH : rot 30:sc= -0.497 USER MOD Single : B 66 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-5.1!) USER MOD Single : B 67 HIS : no HD1:sc= -4.99! C(o=-5!,f=-6.3!) USER MOD Single : B 68 HIS :FLIP no HD1:sc= -0.958 F(o=-2!,f=-0.96) USER MOD Single : B 69 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-4.5!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.154 F(o=-0.92,f=-0.15) USER MOD Single : B 71 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.674 13.057 -10.222 1.00 0.00 N ATOM 2 CA MET A 1 -12.837 12.151 -10.442 1.00 0.00 C ATOM 3 C MET A 1 -12.332 10.739 -10.755 1.00 0.00 C ATOM 4 O MET A 1 -11.316 10.560 -11.398 1.00 0.00 O ATOM 5 CB MET A 1 -13.677 12.676 -11.609 1.00 0.00 C ATOM 6 CG MET A 1 -14.314 14.012 -11.213 1.00 0.00 C ATOM 7 SD MET A 1 -15.400 14.586 -12.545 1.00 0.00 S ATOM 8 CE MET A 1 -14.114 14.988 -13.755 1.00 0.00 C ATOM 0 H1 MET A 1 -12.013 13.984 -9.894 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.044 12.645 -9.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.152 13.175 -11.114 1.00 0.00 H new ATOM 0 HA MET A 1 -13.453 12.119 -9.543 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.052 12.806 -12.493 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.451 11.954 -11.869 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.883 13.896 -10.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.538 14.753 -11.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.488 15.743 -14.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.236 15.374 -13.238 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.843 14.090 -14.310 1.00 0.00 H new ATOM 20 N ASP A 2 -13.030 9.735 -10.298 1.00 0.00 N ATOM 21 CA ASP A 2 -12.588 8.335 -10.561 1.00 0.00 C ATOM 22 C ASP A 2 -11.176 8.150 -9.983 1.00 0.00 C ATOM 23 O ASP A 2 -10.373 7.394 -10.492 1.00 0.00 O ATOM 24 CB ASP A 2 -12.606 8.064 -12.089 1.00 0.00 C ATOM 25 CG ASP A 2 -13.632 6.969 -12.431 1.00 0.00 C ATOM 26 OD1 ASP A 2 -14.670 6.939 -11.794 1.00 0.00 O ATOM 27 OD2 ASP A 2 -13.354 6.182 -13.320 1.00 0.00 O ATOM 0 H ASP A 2 -13.888 9.824 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.263 7.624 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.852 8.981 -12.624 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.614 7.758 -12.422 1.00 0.00 H new ATOM 32 N ASN A 3 -10.881 8.832 -8.908 1.00 0.00 N ATOM 33 CA ASN A 3 -9.537 8.706 -8.269 1.00 0.00 C ATOM 34 C ASN A 3 -9.636 7.753 -7.076 1.00 0.00 C ATOM 35 O ASN A 3 -8.728 7.644 -6.277 1.00 0.00 O ATOM 36 CB ASN A 3 -9.078 10.086 -7.788 1.00 0.00 C ATOM 37 CG ASN A 3 -10.246 10.807 -7.124 1.00 0.00 C ATOM 38 OD1 ASN A 3 -10.930 11.590 -7.752 1.00 0.00 O ATOM 39 ND2 ASN A 3 -10.502 10.572 -5.871 1.00 0.00 N ATOM 0 H ASN A 3 -11.519 9.477 -8.441 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.818 8.314 -8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.253 9.981 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.706 10.671 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.280 11.046 -5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.925 9.914 -5.347 1.00 0.00 H new ATOM 46 N ARG A 4 -10.734 7.059 -6.951 1.00 0.00 N ATOM 47 CA ARG A 4 -10.884 6.115 -5.812 1.00 0.00 C ATOM 48 C ARG A 4 -9.944 4.933 -6.019 1.00 0.00 C ATOM 49 O ARG A 4 -9.696 4.512 -7.133 1.00 0.00 O ATOM 50 CB ARG A 4 -12.337 5.614 -5.734 1.00 0.00 C ATOM 51 CG ARG A 4 -13.281 6.773 -5.367 1.00 0.00 C ATOM 52 CD ARG A 4 -13.287 7.000 -3.846 1.00 0.00 C ATOM 53 NE ARG A 4 -14.198 6.010 -3.191 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.453 6.305 -2.959 1.00 0.00 C ATOM 55 NH1 ARG A 4 -15.943 7.459 -3.325 1.00 0.00 N ATOM 56 NH2 ARG A 4 -16.221 5.437 -2.364 1.00 0.00 N ATOM 0 H ARG A 4 -11.530 7.106 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.636 6.625 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.633 5.184 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.416 4.821 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.964 7.683 -5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.291 6.551 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.277 6.897 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.616 8.015 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.837 5.095 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.347 8.140 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.922 7.679 -3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.844 4.532 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.199 5.662 -2.181 1.00 0.00 H new ATOM 70 N GLN A 5 -9.404 4.403 -4.952 1.00 0.00 N ATOM 71 CA GLN A 5 -8.459 3.254 -5.075 1.00 0.00 C ATOM 72 C GLN A 5 -8.788 2.194 -4.030 1.00 0.00 C ATOM 73 O GLN A 5 -9.211 2.492 -2.929 1.00 0.00 O ATOM 74 CB GLN A 5 -7.031 3.748 -4.844 1.00 0.00 C ATOM 75 CG GLN A 5 -6.626 4.682 -5.983 1.00 0.00 C ATOM 76 CD GLN A 5 -5.192 5.162 -5.763 1.00 0.00 C ATOM 77 OE1 GLN A 5 -4.256 4.764 -6.580 1.00 0.00 O flip ATOM 78 NE2 GLN A 5 -4.918 5.898 -4.835 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.578 4.718 -3.998 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.552 2.823 -6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.965 4.271 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.346 2.902 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.705 4.163 -6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.304 5.535 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.651 6.209 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.955 6.205 -4.695 1.00 0.00 H new ATOM 87 N PHE A 6 -8.579 0.950 -4.375 1.00 0.00 N ATOM 88 CA PHE A 6 -8.854 -0.168 -3.427 1.00 0.00 C ATOM 89 C PHE A 6 -7.514 -0.765 -3.006 1.00 0.00 C ATOM 90 O PHE A 6 -6.800 -1.322 -3.815 1.00 0.00 O ATOM 91 CB PHE A 6 -9.680 -1.235 -4.145 1.00 0.00 C ATOM 92 CG PHE A 6 -10.864 -0.577 -4.811 1.00 0.00 C ATOM 93 CD1 PHE A 6 -12.023 -0.299 -4.077 1.00 0.00 C ATOM 94 CD2 PHE A 6 -10.796 -0.236 -6.168 1.00 0.00 C ATOM 95 CE1 PHE A 6 -13.114 0.319 -4.699 1.00 0.00 C ATOM 96 CE2 PHE A 6 -11.886 0.383 -6.790 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.045 0.660 -6.057 1.00 0.00 C ATOM 0 H PHE A 6 -8.225 0.659 -5.286 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.403 0.189 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -9.068 -1.748 -4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.019 -1.989 -3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -12.075 -0.561 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.902 -0.451 -6.734 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -14.009 0.533 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -11.833 0.647 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 6 -13.887 1.137 -6.537 1.00 0.00 H new ATOM 107 N LEU A 7 -7.163 -0.651 -1.751 1.00 0.00 N ATOM 108 CA LEU A 7 -5.854 -1.207 -1.276 1.00 0.00 C ATOM 109 C LEU A 7 -6.126 -2.395 -0.362 1.00 0.00 C ATOM 110 O LEU A 7 -6.852 -2.291 0.607 1.00 0.00 O ATOM 111 CB LEU A 7 -5.098 -0.122 -0.498 1.00 0.00 C ATOM 112 CG LEU A 7 -3.647 -0.572 -0.229 1.00 0.00 C ATOM 113 CD1 LEU A 7 -2.809 0.646 0.181 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.595 -1.645 0.884 1.00 0.00 C ATOM 0 H LEU A 7 -7.725 -0.197 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.253 -1.528 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.098 0.809 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.605 0.079 0.446 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.242 -1.012 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.782 0.334 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.820 1.383 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.228 1.088 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.561 -1.944 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.009 -1.234 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.179 -2.514 0.579 1.00 0.00 H new ATOM 126 N SER A 8 -5.546 -3.527 -0.675 1.00 0.00 N ATOM 127 CA SER A 8 -5.756 -4.751 0.159 1.00 0.00 C ATOM 128 C SER A 8 -4.418 -5.226 0.714 1.00 0.00 C ATOM 129 O SER A 8 -3.382 -5.057 0.103 1.00 0.00 O ATOM 130 CB SER A 8 -6.376 -5.857 -0.695 1.00 0.00 C ATOM 131 OG SER A 8 -6.616 -7.000 0.116 1.00 0.00 O ATOM 0 H SER A 8 -4.931 -3.657 -1.479 1.00 0.00 H new ATOM 0 HA SER A 8 -6.428 -4.513 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.309 -5.510 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.708 -6.114 -1.517 1.00 0.00 H new ATOM 0 HG SER A 8 -6.516 -6.758 1.060 1.00 0.00 H new ATOM 137 N LEU A 9 -4.436 -5.805 1.884 1.00 0.00 N ATOM 138 CA LEU A 9 -3.160 -6.281 2.503 1.00 0.00 C ATOM 139 C LEU A 9 -3.436 -7.514 3.376 1.00 0.00 C ATOM 140 O LEU A 9 -4.551 -7.985 3.479 1.00 0.00 O ATOM 141 CB LEU A 9 -2.557 -5.147 3.362 1.00 0.00 C ATOM 142 CG LEU A 9 -1.014 -5.193 3.305 1.00 0.00 C ATOM 143 CD1 LEU A 9 -0.517 -4.443 2.063 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.425 -4.542 4.563 1.00 0.00 C ATOM 0 H LEU A 9 -5.276 -5.970 2.439 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.453 -6.555 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.912 -4.181 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.893 -5.246 4.394 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.693 -6.233 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.572 -4.479 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.924 -4.912 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.845 -3.404 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.663 -4.578 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.751 -3.504 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.768 -5.081 5.446 1.00 0.00 H new ATOM 156 N THR A 10 -2.416 -8.042 3.996 1.00 0.00 N ATOM 157 CA THR A 10 -2.600 -9.242 4.858 1.00 0.00 C ATOM 158 C THR A 10 -1.275 -9.576 5.555 1.00 0.00 C ATOM 159 O THR A 10 -0.215 -9.182 5.114 1.00 0.00 O ATOM 160 CB THR A 10 -3.051 -10.422 3.997 1.00 0.00 C ATOM 161 OG1 THR A 10 -2.824 -11.637 4.696 1.00 0.00 O ATOM 162 CG2 THR A 10 -2.276 -10.428 2.680 1.00 0.00 C ATOM 0 H THR A 10 -1.460 -7.692 3.942 1.00 0.00 H new ATOM 0 HA THR A 10 -3.360 -9.040 5.613 1.00 0.00 H new ATOM 0 HB THR A 10 -4.115 -10.325 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.115 -12.392 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.601 -11.271 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.464 -9.498 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.210 -10.519 2.886 1.00 0.00 H new ATOM 170 N GLY A 11 -1.331 -10.291 6.649 1.00 0.00 N ATOM 171 CA GLY A 11 -0.075 -10.640 7.382 1.00 0.00 C ATOM 172 C GLY A 11 0.295 -9.493 8.327 1.00 0.00 C ATOM 173 O GLY A 11 1.429 -9.354 8.743 1.00 0.00 O ATOM 0 H GLY A 11 -2.190 -10.648 7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.214 -11.562 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.735 -10.819 6.675 1.00 0.00 H new ATOM 177 N VAL A 12 -0.657 -8.667 8.662 1.00 0.00 N ATOM 178 CA VAL A 12 -0.378 -7.520 9.574 1.00 0.00 C ATOM 179 C VAL A 12 -0.020 -8.031 10.973 1.00 0.00 C ATOM 180 O VAL A 12 -0.610 -8.965 11.478 1.00 0.00 O ATOM 181 CB VAL A 12 -1.620 -6.629 9.659 1.00 0.00 C ATOM 182 CG1 VAL A 12 -2.759 -7.402 10.327 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.302 -5.376 10.483 1.00 0.00 C ATOM 0 H VAL A 12 -1.623 -8.737 8.342 1.00 0.00 H new ATOM 0 HA VAL A 12 0.462 -6.948 9.181 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.920 -6.334 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.643 -6.767 10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.990 -8.290 9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.457 -7.700 11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.188 -4.744 10.541 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.998 -5.669 11.488 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.493 -4.823 10.006 1.00 0.00 H new ATOM 193 N SER A 13 0.944 -7.413 11.603 1.00 0.00 N ATOM 194 CA SER A 13 1.345 -7.846 12.971 1.00 0.00 C ATOM 195 C SER A 13 0.268 -7.430 13.978 1.00 0.00 C ATOM 196 O SER A 13 -0.103 -8.189 14.854 1.00 0.00 O ATOM 197 CB SER A 13 2.672 -7.184 13.345 1.00 0.00 C ATOM 198 OG SER A 13 3.074 -7.628 14.633 1.00 0.00 O ATOM 0 H SER A 13 1.471 -6.625 11.227 1.00 0.00 H new ATOM 0 HA SER A 13 1.459 -8.930 12.989 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.436 -7.432 12.608 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.564 -6.099 13.339 1.00 0.00 H new ATOM 0 HG SER A 13 3.925 -7.206 14.874 1.00 0.00 H new ATOM 204 N LYS A 14 -0.238 -6.232 13.865 1.00 0.00 N ATOM 205 CA LYS A 14 -1.291 -5.779 14.818 1.00 0.00 C ATOM 206 C LYS A 14 -1.914 -4.468 14.324 1.00 0.00 C ATOM 207 O LYS A 14 -1.336 -3.748 13.531 1.00 0.00 O ATOM 208 CB LYS A 14 -0.674 -5.573 16.210 1.00 0.00 C ATOM 209 CG LYS A 14 0.484 -4.544 16.145 1.00 0.00 C ATOM 210 CD LYS A 14 0.006 -3.167 16.639 1.00 0.00 C ATOM 211 CE LYS A 14 -0.004 -3.128 18.176 1.00 0.00 C ATOM 212 NZ LYS A 14 1.347 -2.740 18.671 1.00 0.00 N ATOM 0 H LYS A 14 0.031 -5.549 13.156 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.070 -6.539 14.880 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.438 -5.225 16.905 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.303 -6.523 16.594 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.319 -4.887 16.756 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.850 -4.463 15.122 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.661 -2.386 16.252 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.994 -2.962 16.256 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.750 -2.416 18.528 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.282 -4.104 18.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.341 -2.713 19.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.049 -3.436 18.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.595 -1.800 18.302 1.00 0.00 H new ATOM 226 N VAL A 15 -3.098 -4.161 14.788 1.00 0.00 N ATOM 227 CA VAL A 15 -3.786 -2.906 14.354 1.00 0.00 C ATOM 228 C VAL A 15 -3.446 -1.764 15.316 1.00 0.00 C ATOM 229 O VAL A 15 -3.928 -1.709 16.430 1.00 0.00 O ATOM 230 CB VAL A 15 -5.298 -3.146 14.357 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.028 -1.848 14.007 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.638 -4.219 13.318 1.00 0.00 C ATOM 0 H VAL A 15 -3.622 -4.729 15.454 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.453 -2.634 13.352 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.612 -3.478 15.347 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.104 -2.023 14.010 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.783 -1.083 14.743 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.718 -1.512 13.018 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.714 -4.395 13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.323 -3.882 12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.120 -5.145 13.568 1.00 0.00 H new ATOM 242 N GLN A 16 -2.624 -0.849 14.886 1.00 0.00 N ATOM 243 CA GLN A 16 -2.253 0.296 15.761 1.00 0.00 C ATOM 244 C GLN A 16 -3.470 1.208 15.949 1.00 0.00 C ATOM 245 O GLN A 16 -3.702 1.743 17.015 1.00 0.00 O ATOM 246 CB GLN A 16 -1.115 1.083 15.107 1.00 0.00 C ATOM 247 CG GLN A 16 -0.681 2.226 16.026 1.00 0.00 C ATOM 248 CD GLN A 16 0.500 2.965 15.393 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.381 3.513 14.314 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.642 3.005 16.021 1.00 0.00 N ATOM 0 H GLN A 16 -2.192 -0.845 13.962 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.926 -0.074 16.733 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.271 0.423 14.909 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.441 1.481 14.146 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.511 2.914 16.186 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.398 1.835 17.003 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.743 2.546 16.926 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.435 3.496 15.607 1.00 0.00 H new ATOM 259 N SER A 17 -4.247 1.391 14.917 1.00 0.00 N ATOM 260 CA SER A 17 -5.446 2.267 15.033 1.00 0.00 C ATOM 261 C SER A 17 -6.331 2.102 13.796 1.00 0.00 C ATOM 262 O SER A 17 -5.912 1.581 12.780 1.00 0.00 O ATOM 263 CB SER A 17 -5.007 3.730 15.147 1.00 0.00 C ATOM 264 OG SER A 17 -6.099 4.512 15.617 1.00 0.00 O ATOM 0 H SER A 17 -4.103 0.972 13.998 1.00 0.00 H new ATOM 0 HA SER A 17 -6.008 1.983 15.923 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.162 3.816 15.830 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.672 4.098 14.177 1.00 0.00 H new ATOM 0 HG SER A 17 -5.822 5.449 15.693 1.00 0.00 H new ATOM 270 N PHE A 18 -7.556 2.546 13.879 1.00 0.00 N ATOM 271 CA PHE A 18 -8.491 2.431 12.722 1.00 0.00 C ATOM 272 C PHE A 18 -9.465 3.613 12.766 1.00 0.00 C ATOM 273 O PHE A 18 -10.372 3.650 13.574 1.00 0.00 O ATOM 274 CB PHE A 18 -9.251 1.096 12.830 1.00 0.00 C ATOM 275 CG PHE A 18 -10.543 1.141 12.034 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.547 1.627 10.721 1.00 0.00 C ATOM 277 CD2 PHE A 18 -11.740 0.702 12.619 1.00 0.00 C ATOM 278 CE1 PHE A 18 -11.744 1.675 9.995 1.00 0.00 C ATOM 279 CE2 PHE A 18 -12.935 0.751 11.894 1.00 0.00 C ATOM 280 CZ PHE A 18 -12.938 1.237 10.582 1.00 0.00 C ATOM 0 H PHE A 18 -7.953 2.988 14.708 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.948 2.451 11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.622 0.284 12.464 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.471 0.882 13.876 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.627 1.965 10.268 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.739 0.325 13.631 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.746 2.050 8.982 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.856 0.414 12.347 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.861 1.274 10.022 1.00 0.00 H new ATOM 290 N ASP A 19 -9.278 4.579 11.901 1.00 0.00 N ATOM 291 CA ASP A 19 -10.185 5.771 11.871 1.00 0.00 C ATOM 292 C ASP A 19 -10.597 6.042 10.417 1.00 0.00 C ATOM 293 O ASP A 19 -9.853 5.757 9.500 1.00 0.00 O ATOM 294 CB ASP A 19 -9.440 6.993 12.428 1.00 0.00 C ATOM 295 CG ASP A 19 -9.431 6.938 13.957 1.00 0.00 C ATOM 296 OD1 ASP A 19 -10.496 6.784 14.529 1.00 0.00 O ATOM 297 OD2 ASP A 19 -8.358 7.053 14.529 1.00 0.00 O ATOM 0 H ASP A 19 -8.530 4.594 11.208 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.070 5.581 12.478 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.418 7.012 12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.922 7.910 12.090 1.00 0.00 H new ATOM 302 N PRO A 20 -11.769 6.595 10.197 1.00 0.00 N ATOM 303 CA PRO A 20 -12.256 6.901 8.821 1.00 0.00 C ATOM 304 C PRO A 20 -11.456 8.047 8.191 1.00 0.00 C ATOM 305 O PRO A 20 -11.439 8.223 6.989 1.00 0.00 O ATOM 306 CB PRO A 20 -13.726 7.300 9.031 1.00 0.00 C ATOM 307 CG PRO A 20 -13.792 7.794 10.443 1.00 0.00 C ATOM 308 CD PRO A 20 -12.748 6.992 11.224 1.00 0.00 C ATOM 0 HA PRO A 20 -12.143 6.058 8.139 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -14.030 8.074 8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -14.392 6.451 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.580 8.862 10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.788 7.648 10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.285 7.593 12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.192 6.123 11.710 1.00 0.00 H new ATOM 316 N LYS A 21 -10.787 8.824 9.003 1.00 0.00 N ATOM 317 CA LYS A 21 -9.976 9.962 8.477 1.00 0.00 C ATOM 318 C LYS A 21 -8.504 9.545 8.424 1.00 0.00 C ATOM 319 O LYS A 21 -7.651 10.283 7.971 1.00 0.00 O ATOM 320 CB LYS A 21 -10.140 11.164 9.412 1.00 0.00 C ATOM 321 CG LYS A 21 -11.596 11.641 9.367 1.00 0.00 C ATOM 322 CD LYS A 21 -11.816 12.760 10.395 1.00 0.00 C ATOM 323 CE LYS A 21 -11.240 14.081 9.875 1.00 0.00 C ATOM 324 NZ LYS A 21 -11.691 15.195 10.755 1.00 0.00 N ATOM 0 H LYS A 21 -10.768 8.717 10.017 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.312 10.231 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.866 10.888 10.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.471 11.970 9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.838 12.002 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.267 10.808 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.881 12.874 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.340 12.495 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.151 14.034 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.568 14.256 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.302 16.094 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.730 15.242 10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.357 15.028 11.726 1.00 0.00 H new ATOM 338 N GLU A 22 -8.207 8.360 8.886 1.00 0.00 N ATOM 339 CA GLU A 22 -6.797 7.872 8.870 1.00 0.00 C ATOM 340 C GLU A 22 -6.757 6.417 9.337 1.00 0.00 C ATOM 341 O GLU A 22 -7.539 6.000 10.165 1.00 0.00 O ATOM 342 CB GLU A 22 -5.932 8.729 9.803 1.00 0.00 C ATOM 343 CG GLU A 22 -4.513 8.155 9.852 1.00 0.00 C ATOM 344 CD GLU A 22 -3.583 9.137 10.567 1.00 0.00 C ATOM 345 OE1 GLU A 22 -4.087 10.078 11.156 1.00 0.00 O ATOM 346 OE2 GLU A 22 -2.382 8.933 10.506 1.00 0.00 O ATOM 0 H GLU A 22 -8.885 7.705 9.276 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.407 7.945 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.907 9.760 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.364 8.746 10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.516 7.197 10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.151 7.967 8.841 1.00 0.00 H new ATOM 353 N ILE A 23 -5.847 5.638 8.806 1.00 0.00 N ATOM 354 CA ILE A 23 -5.742 4.200 9.219 1.00 0.00 C ATOM 355 C ILE A 23 -4.282 3.853 9.501 1.00 0.00 C ATOM 356 O ILE A 23 -3.406 4.125 8.703 1.00 0.00 O ATOM 357 CB ILE A 23 -6.280 3.309 8.100 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.778 3.576 7.924 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.054 1.839 8.464 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.290 2.864 6.673 1.00 0.00 C ATOM 0 H ILE A 23 -5.170 5.935 8.103 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.329 4.037 10.123 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.759 3.530 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.324 3.227 8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.958 4.648 7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.438 1.203 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.987 1.656 8.593 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.576 1.610 9.393 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.356 3.058 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.754 3.234 5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.126 1.791 6.772 1.00 0.00 H new ATOM 372 N LEU A 24 -4.019 3.256 10.637 1.00 0.00 N ATOM 373 CA LEU A 24 -2.616 2.881 11.001 1.00 0.00 C ATOM 374 C LEU A 24 -2.522 1.361 11.128 1.00 0.00 C ATOM 375 O LEU A 24 -3.261 0.742 11.869 1.00 0.00 O ATOM 376 CB LEU A 24 -2.256 3.526 12.343 1.00 0.00 C ATOM 377 CG LEU A 24 -2.524 5.035 12.271 1.00 0.00 C ATOM 378 CD1 LEU A 24 -2.169 5.679 13.616 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.676 5.663 11.153 1.00 0.00 C ATOM 0 H LEU A 24 -4.722 3.010 11.334 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.927 3.228 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.845 3.079 13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.208 3.342 12.578 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.578 5.206 12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.359 6.751 13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.780 5.238 14.403 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.115 5.506 13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.871 6.734 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.619 5.495 11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.936 5.206 10.198 1.00 0.00 H new ATOM 391 N LEU A 25 -1.616 0.757 10.404 1.00 0.00 N ATOM 392 CA LEU A 25 -1.454 -0.730 10.464 1.00 0.00 C ATOM 393 C LEU A 25 0.033 -1.071 10.519 1.00 0.00 C ATOM 394 O LEU A 25 0.814 -0.600 9.715 1.00 0.00 O ATOM 395 CB LEU A 25 -2.075 -1.364 9.215 1.00 0.00 C ATOM 396 CG LEU A 25 -3.597 -1.158 9.224 1.00 0.00 C ATOM 397 CD1 LEU A 25 -4.173 -1.586 7.870 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.245 -1.992 10.348 1.00 0.00 C ATOM 0 H LEU A 25 -0.975 1.232 9.768 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.953 -1.116 11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.645 -0.918 8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.844 -2.429 9.184 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.812 -0.104 9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.253 -1.441 7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.728 -0.983 7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.948 -2.638 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.324 -1.835 10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.031 -3.049 10.187 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.839 -1.682 11.311 1.00 0.00 H new ATOM 410 N GLU A 26 0.430 -1.890 11.460 1.00 0.00 N ATOM 411 CA GLU A 26 1.871 -2.272 11.578 1.00 0.00 C ATOM 412 C GLU A 26 2.064 -3.692 11.057 1.00 0.00 C ATOM 413 O GLU A 26 1.437 -4.627 11.519 1.00 0.00 O ATOM 414 CB GLU A 26 2.304 -2.194 13.042 1.00 0.00 C ATOM 415 CG GLU A 26 3.816 -2.412 13.137 1.00 0.00 C ATOM 416 CD GLU A 26 4.273 -2.202 14.581 1.00 0.00 C ATOM 417 OE1 GLU A 26 4.167 -3.138 15.358 1.00 0.00 O ATOM 418 OE2 GLU A 26 4.733 -1.113 14.884 1.00 0.00 O ATOM 0 H GLU A 26 -0.185 -2.313 12.155 1.00 0.00 H new ATOM 0 HA GLU A 26 2.479 -1.586 10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.038 -1.223 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.779 -2.948 13.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.070 -3.419 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.336 -1.719 12.476 1.00 0.00 H new ATOM 425 N THR A 27 2.930 -3.850 10.086 1.00 0.00 N ATOM 426 CA THR A 27 3.190 -5.200 9.496 1.00 0.00 C ATOM 427 C THR A 27 4.680 -5.527 9.593 1.00 0.00 C ATOM 428 O THR A 27 5.520 -4.652 9.643 1.00 0.00 O ATOM 429 CB THR A 27 2.770 -5.194 8.023 1.00 0.00 C ATOM 430 OG1 THR A 27 2.950 -6.494 7.479 1.00 0.00 O ATOM 431 CG2 THR A 27 3.620 -4.188 7.243 1.00 0.00 C ATOM 0 H THR A 27 3.474 -3.092 9.673 1.00 0.00 H new ATOM 0 HA THR A 27 2.619 -5.951 10.042 1.00 0.00 H new ATOM 0 HB THR A 27 1.721 -4.907 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.307 -6.421 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.316 -4.189 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.479 -3.191 7.661 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.671 -4.466 7.316 1.00 0.00 H new ATOM 439 N ILE A 28 4.998 -6.793 9.610 1.00 0.00 N ATOM 440 CA ILE A 28 6.423 -7.240 9.696 1.00 0.00 C ATOM 441 C ILE A 28 7.193 -6.399 10.727 1.00 0.00 C ATOM 442 O ILE A 28 7.343 -6.792 11.868 1.00 0.00 O ATOM 443 CB ILE A 28 7.097 -7.105 8.325 1.00 0.00 C ATOM 444 CG1 ILE A 28 6.194 -7.715 7.245 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.434 -7.854 8.344 1.00 0.00 C ATOM 446 CD1 ILE A 28 6.816 -7.507 5.859 1.00 0.00 C ATOM 0 H ILE A 28 4.319 -7.553 9.567 1.00 0.00 H new ATOM 0 HA ILE A 28 6.437 -8.284 10.010 1.00 0.00 H new ATOM 0 HB ILE A 28 7.265 -6.051 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.056 -8.780 7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.207 -7.254 7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.917 -7.761 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.079 -7.427 9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.258 -8.907 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.167 -7.944 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.931 -6.440 5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.793 -7.989 5.822 1.00 0.00 H new ATOM 458 N GLN A 29 7.696 -5.256 10.338 1.00 0.00 N ATOM 459 CA GLN A 29 8.468 -4.410 11.289 1.00 0.00 C ATOM 460 C GLN A 29 8.407 -2.942 10.848 1.00 0.00 C ATOM 461 O GLN A 29 9.420 -2.308 10.628 1.00 0.00 O ATOM 462 CB GLN A 29 9.926 -4.888 11.316 1.00 0.00 C ATOM 463 CG GLN A 29 10.488 -4.949 9.887 1.00 0.00 C ATOM 464 CD GLN A 29 11.831 -5.679 9.897 1.00 0.00 C ATOM 465 OE1 GLN A 29 12.172 -6.334 10.862 1.00 0.00 O ATOM 466 NE2 GLN A 29 12.613 -5.596 8.855 1.00 0.00 N ATOM 0 H GLN A 29 7.603 -4.873 9.397 1.00 0.00 H new ATOM 0 HA GLN A 29 8.038 -4.495 12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.528 -4.211 11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.986 -5.872 11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.787 -5.465 9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.613 -3.941 9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.327 -5.046 8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.510 -6.081 8.851 1.00 0.00 H new ATOM 475 N GLY A 30 7.228 -2.392 10.719 1.00 0.00 N ATOM 476 CA GLY A 30 7.121 -0.967 10.293 1.00 0.00 C ATOM 477 C GLY A 30 5.665 -0.503 10.363 1.00 0.00 C ATOM 478 O GLY A 30 4.749 -1.236 10.047 1.00 0.00 O ATOM 0 H GLY A 30 6.340 -2.865 10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.741 -0.341 10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.498 -0.854 9.276 1.00 0.00 H new ATOM 482 N VAL A 31 5.450 0.719 10.781 1.00 0.00 N ATOM 483 CA VAL A 31 4.060 1.253 10.882 1.00 0.00 C ATOM 484 C VAL A 31 3.637 1.833 9.534 1.00 0.00 C ATOM 485 O VAL A 31 4.364 2.587 8.919 1.00 0.00 O ATOM 486 CB VAL A 31 4.008 2.352 11.946 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.618 3.002 11.944 1.00 0.00 C ATOM 488 CG2 VAL A 31 4.285 1.738 13.322 1.00 0.00 C ATOM 0 H VAL A 31 6.183 1.372 11.058 1.00 0.00 H new ATOM 0 HA VAL A 31 3.383 0.445 11.160 1.00 0.00 H new ATOM 0 HB VAL A 31 4.761 3.109 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.581 3.785 12.702 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.421 3.436 10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.863 2.247 12.165 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.249 2.518 14.082 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.531 0.982 13.541 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.272 1.277 13.322 1.00 0.00 H new ATOM 498 N LEU A 32 2.461 1.482 9.073 1.00 0.00 N ATOM 499 CA LEU A 32 1.966 2.003 7.760 1.00 0.00 C ATOM 500 C LEU A 32 0.796 2.957 8.006 1.00 0.00 C ATOM 501 O LEU A 32 -0.187 2.596 8.622 1.00 0.00 O ATOM 502 CB LEU A 32 1.489 0.822 6.899 1.00 0.00 C ATOM 503 CG LEU A 32 1.123 1.304 5.487 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.379 1.775 4.736 1.00 0.00 C ATOM 505 CD2 LEU A 32 0.468 0.150 4.720 1.00 0.00 C ATOM 0 H LEU A 32 1.818 0.852 9.554 1.00 0.00 H new ATOM 0 HA LEU A 32 2.767 2.533 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.272 0.066 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.624 0.350 7.365 1.00 0.00 H new ATOM 0 HG LEU A 32 0.431 2.142 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.101 2.113 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.842 2.597 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.086 0.949 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.205 0.483 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.165 -0.685 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.433 -0.170 5.244 1.00 0.00 H new ATOM 517 N SER A 33 0.900 4.178 7.530 1.00 0.00 N ATOM 518 CA SER A 33 -0.200 5.176 7.734 1.00 0.00 C ATOM 519 C SER A 33 -0.808 5.567 6.386 1.00 0.00 C ATOM 520 O SER A 33 -0.112 5.976 5.474 1.00 0.00 O ATOM 521 CB SER A 33 0.371 6.422 8.407 1.00 0.00 C ATOM 522 OG SER A 33 -0.614 7.447 8.408 1.00 0.00 O ATOM 0 H SER A 33 1.703 4.526 7.007 1.00 0.00 H new ATOM 0 HA SER A 33 -0.973 4.734 8.362 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.674 6.191 9.428 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.263 6.759 7.878 1.00 0.00 H new ATOM 0 HG SER A 33 -0.907 7.618 9.327 1.00 0.00 H new ATOM 528 N ILE A 34 -2.110 5.450 6.263 1.00 0.00 N ATOM 529 CA ILE A 34 -2.803 5.816 4.986 1.00 0.00 C ATOM 530 C ILE A 34 -3.675 7.046 5.225 1.00 0.00 C ATOM 531 O ILE A 34 -4.437 7.104 6.175 1.00 0.00 O ATOM 532 CB ILE A 34 -3.686 4.652 4.526 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.811 3.425 4.258 1.00 0.00 C ATOM 534 CG2 ILE A 34 -4.417 5.046 3.239 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.700 2.194 4.055 1.00 0.00 C ATOM 0 H ILE A 34 -2.728 5.113 7.001 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.060 6.031 4.218 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.414 4.418 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.195 3.591 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.131 3.261 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.046 4.219 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.038 5.922 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.688 5.278 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.075 1.321 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.297 2.024 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.362 2.359 3.205 1.00 0.00 H new ATOM 547 N LYS A 35 -3.559 8.036 4.370 1.00 0.00 N ATOM 548 CA LYS A 35 -4.369 9.287 4.527 1.00 0.00 C ATOM 549 C LYS A 35 -5.124 9.577 3.230 1.00 0.00 C ATOM 550 O LYS A 35 -4.635 9.333 2.140 1.00 0.00 O ATOM 551 CB LYS A 35 -3.435 10.457 4.830 1.00 0.00 C ATOM 552 CG LYS A 35 -2.788 10.251 6.196 1.00 0.00 C ATOM 553 CD LYS A 35 -1.862 11.428 6.504 1.00 0.00 C ATOM 554 CE LYS A 35 -1.214 11.216 7.870 1.00 0.00 C ATOM 555 NZ LYS A 35 -0.317 12.364 8.179 1.00 0.00 N ATOM 0 H LYS A 35 -2.933 8.030 3.565 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.080 9.156 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.667 10.532 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.992 11.394 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.556 10.168 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.224 9.318 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.095 11.513 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.426 12.361 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.982 11.124 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.646 10.286 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.124 12.219 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.423 12.432 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.871 13.244 8.192 1.00 0.00 H new ATOM 569 N GLY A 36 -6.312 10.101 3.345 1.00 0.00 N ATOM 570 CA GLY A 36 -7.119 10.418 2.137 1.00 0.00 C ATOM 571 C GLY A 36 -8.520 10.848 2.570 1.00 0.00 C ATOM 572 O GLY A 36 -8.687 11.555 3.544 1.00 0.00 O ATOM 0 H GLY A 36 -6.761 10.325 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.642 11.213 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.178 9.547 1.485 1.00 0.00 H new ATOM 576 N GLU A 37 -9.531 10.423 1.853 1.00 0.00 N ATOM 577 CA GLU A 37 -10.934 10.801 2.213 1.00 0.00 C ATOM 578 C GLU A 37 -11.826 9.558 2.106 1.00 0.00 C ATOM 579 O GLU A 37 -11.650 8.730 1.235 1.00 0.00 O ATOM 580 CB GLU A 37 -11.447 11.883 1.246 1.00 0.00 C ATOM 581 CG GLU A 37 -10.336 12.893 0.935 1.00 0.00 C ATOM 582 CD GLU A 37 -9.944 13.644 2.209 1.00 0.00 C ATOM 583 OE1 GLU A 37 -10.739 13.659 3.133 1.00 0.00 O ATOM 584 OE2 GLU A 37 -8.852 14.187 2.239 1.00 0.00 O ATOM 0 H GLU A 37 -9.445 9.827 1.029 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.958 11.191 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.794 11.419 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.302 12.397 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.468 12.377 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.676 13.598 0.176 1.00 0.00 H new ATOM 591 N LYS A 38 -12.776 9.427 2.989 1.00 0.00 N ATOM 592 CA LYS A 38 -13.687 8.243 2.952 1.00 0.00 C ATOM 593 C LYS A 38 -12.870 6.947 2.970 1.00 0.00 C ATOM 594 O LYS A 38 -12.925 6.153 2.053 1.00 0.00 O ATOM 595 CB LYS A 38 -14.549 8.288 1.687 1.00 0.00 C ATOM 596 CG LYS A 38 -15.480 9.498 1.753 1.00 0.00 C ATOM 597 CD LYS A 38 -16.360 9.533 0.504 1.00 0.00 C ATOM 598 CE LYS A 38 -17.297 10.741 0.575 1.00 0.00 C ATOM 599 NZ LYS A 38 -18.157 10.778 -0.641 1.00 0.00 N ATOM 0 H LYS A 38 -12.964 10.091 3.740 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.332 8.270 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.915 8.351 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.131 7.371 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.101 9.444 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.896 10.416 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.739 9.593 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.940 8.613 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.917 10.681 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.716 11.660 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.793 11.599 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.558 10.855 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.721 9.906 -0.694 1.00 0.00 H new ATOM 613 N LEU A 39 -12.124 6.718 4.019 1.00 0.00 N ATOM 614 CA LEU A 39 -11.312 5.467 4.117 1.00 0.00 C ATOM 615 C LEU A 39 -12.144 4.402 4.831 1.00 0.00 C ATOM 616 O LEU A 39 -11.912 4.079 5.980 1.00 0.00 O ATOM 617 CB LEU A 39 -10.028 5.751 4.911 1.00 0.00 C ATOM 618 CG LEU A 39 -8.993 6.407 3.991 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.572 7.695 3.407 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.728 6.733 4.789 1.00 0.00 C ATOM 0 H LEU A 39 -12.041 7.347 4.817 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.039 5.115 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.247 6.405 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.629 4.824 5.322 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.744 5.720 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.835 8.161 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.470 7.463 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.824 8.380 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.994 7.199 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.976 7.417 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.312 5.815 5.203 1.00 0.00 H new ATOM 632 N GLY A 40 -13.128 3.869 4.160 1.00 0.00 N ATOM 633 CA GLY A 40 -14.001 2.838 4.794 1.00 0.00 C ATOM 634 C GLY A 40 -13.382 1.449 4.651 1.00 0.00 C ATOM 635 O GLY A 40 -12.982 1.036 3.580 1.00 0.00 O ATOM 0 H GLY A 40 -13.367 4.103 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.143 3.072 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.987 2.853 4.329 1.00 0.00 H new ATOM 639 N LEU A 46 -14.140 -11.535 5.508 1.00 0.00 N ATOM 640 CA LEU A 46 -13.145 -11.608 6.617 1.00 0.00 C ATOM 641 C LEU A 46 -12.295 -12.871 6.458 1.00 0.00 C ATOM 642 O LEU A 46 -11.127 -12.886 6.783 1.00 0.00 O ATOM 643 CB LEU A 46 -13.887 -11.650 7.958 1.00 0.00 C ATOM 644 CG LEU A 46 -12.892 -11.804 9.121 1.00 0.00 C ATOM 645 CD1 LEU A 46 -11.852 -10.674 9.087 1.00 0.00 C ATOM 646 CD2 LEU A 46 -13.666 -11.753 10.445 1.00 0.00 C ATOM 0 HA LEU A 46 -12.496 -10.733 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -14.468 -10.737 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -14.593 -12.480 7.964 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.372 -12.757 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.155 -10.796 9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.305 -10.711 8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.357 -9.712 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.971 -11.861 11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.184 -10.798 10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.394 -12.564 10.472 1.00 0.00 H new ATOM 658 N LYS A 47 -12.897 -13.933 5.986 1.00 0.00 N ATOM 659 CA LYS A 47 -12.168 -15.228 5.817 1.00 0.00 C ATOM 660 C LYS A 47 -10.730 -14.984 5.358 1.00 0.00 C ATOM 661 O LYS A 47 -10.433 -14.013 4.690 1.00 0.00 O ATOM 662 CB LYS A 47 -12.902 -16.094 4.784 1.00 0.00 C ATOM 663 CG LYS A 47 -12.190 -17.448 4.595 1.00 0.00 C ATOM 664 CD LYS A 47 -12.200 -18.240 5.911 1.00 0.00 C ATOM 665 CE LYS A 47 -11.936 -19.720 5.630 1.00 0.00 C ATOM 666 NZ LYS A 47 -13.005 -20.258 4.743 1.00 0.00 N ATOM 0 H LYS A 47 -13.878 -13.958 5.706 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.140 -15.743 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.929 -16.261 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.950 -15.568 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.686 -18.022 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.163 -17.285 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.440 -17.848 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.162 -18.122 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.961 -19.843 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.910 -20.279 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.147 -21.268 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.892 -19.742 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.724 -20.139 3.749 1.00 0.00 H new ATOM 680 N ALA A 48 -9.838 -15.857 5.731 1.00 0.00 N ATOM 681 CA ALA A 48 -8.410 -15.694 5.347 1.00 0.00 C ATOM 682 C ALA A 48 -7.805 -14.558 6.176 1.00 0.00 C ATOM 683 O ALA A 48 -6.603 -14.400 6.249 1.00 0.00 O ATOM 684 CB ALA A 48 -8.301 -15.379 3.844 1.00 0.00 C ATOM 0 H ALA A 48 -10.040 -16.685 6.291 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.865 -16.618 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.252 -15.261 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.736 -16.196 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.838 -14.456 3.626 1.00 0.00 H new ATOM 690 N GLY A 49 -8.632 -13.766 6.809 1.00 0.00 N ATOM 691 CA GLY A 49 -8.095 -12.647 7.634 1.00 0.00 C ATOM 692 C GLY A 49 -7.401 -11.633 6.725 1.00 0.00 C ATOM 693 O GLY A 49 -6.397 -11.046 7.079 1.00 0.00 O ATOM 0 H GLY A 49 -9.649 -13.846 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.904 -12.165 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.392 -13.031 8.373 1.00 0.00 H new ATOM 697 N GLN A 50 -7.926 -11.429 5.549 1.00 0.00 N ATOM 698 CA GLN A 50 -7.299 -10.465 4.604 1.00 0.00 C ATOM 699 C GLN A 50 -7.742 -9.041 4.959 1.00 0.00 C ATOM 700 O GLN A 50 -8.707 -8.835 5.668 1.00 0.00 O ATOM 701 CB GLN A 50 -7.724 -10.814 3.157 1.00 0.00 C ATOM 702 CG GLN A 50 -6.525 -10.715 2.207 1.00 0.00 C ATOM 703 CD GLN A 50 -5.617 -11.930 2.406 1.00 0.00 C ATOM 704 OE1 GLN A 50 -5.851 -12.740 3.281 1.00 0.00 O ATOM 705 NE2 GLN A 50 -4.591 -12.098 1.621 1.00 0.00 N ATOM 0 H GLN A 50 -8.766 -11.891 5.201 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.213 -10.527 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.138 -11.822 3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.512 -10.136 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.869 -10.669 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.970 -9.797 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.394 -11.418 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.984 -12.909 1.741 1.00 0.00 H new ATOM 714 N VAL A 51 -7.027 -8.062 4.470 1.00 0.00 N ATOM 715 CA VAL A 51 -7.370 -6.636 4.763 1.00 0.00 C ATOM 716 C VAL A 51 -7.808 -5.964 3.465 1.00 0.00 C ATOM 717 O VAL A 51 -7.208 -6.148 2.427 1.00 0.00 O ATOM 718 CB VAL A 51 -6.131 -5.916 5.308 1.00 0.00 C ATOM 719 CG1 VAL A 51 -6.386 -4.407 5.366 1.00 0.00 C ATOM 720 CG2 VAL A 51 -5.815 -6.435 6.713 1.00 0.00 C ATOM 0 H VAL A 51 -6.210 -8.190 3.873 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.171 -6.590 5.501 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.286 -6.110 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.501 -3.903 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.605 -4.036 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.234 -4.206 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.934 -5.923 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.663 -6.245 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.622 -7.507 6.670 1.00 0.00 H new ATOM 730 N GLU A 52 -8.860 -5.195 3.523 1.00 0.00 N ATOM 731 CA GLU A 52 -9.362 -4.498 2.303 1.00 0.00 C ATOM 732 C GLU A 52 -9.719 -3.057 2.669 1.00 0.00 C ATOM 733 O GLU A 52 -10.408 -2.809 3.641 1.00 0.00 O ATOM 734 CB GLU A 52 -10.610 -5.205 1.782 1.00 0.00 C ATOM 735 CG GLU A 52 -10.942 -4.680 0.378 1.00 0.00 C ATOM 736 CD GLU A 52 -12.416 -4.945 0.056 1.00 0.00 C ATOM 737 OE1 GLU A 52 -13.233 -4.784 0.947 1.00 0.00 O ATOM 738 OE2 GLU A 52 -12.701 -5.301 -1.075 1.00 0.00 O ATOM 0 H GLU A 52 -9.399 -5.018 4.371 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.592 -4.511 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.445 -6.282 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.449 -5.030 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.735 -3.611 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.306 -5.167 -0.361 1.00 0.00 H new ATOM 745 N VAL A 53 -9.252 -2.106 1.899 1.00 0.00 N ATOM 746 CA VAL A 53 -9.552 -0.666 2.189 1.00 0.00 C ATOM 747 C VAL A 53 -10.178 -0.025 0.952 1.00 0.00 C ATOM 748 O VAL A 53 -9.891 -0.401 -0.168 1.00 0.00 O ATOM 749 CB VAL A 53 -8.256 0.070 2.531 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.593 1.466 3.058 1.00 0.00 C ATOM 751 CG2 VAL A 53 -7.488 -0.709 3.600 1.00 0.00 C ATOM 0 H VAL A 53 -8.671 -2.265 1.076 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.241 -0.602 3.031 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.639 0.155 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.672 1.995 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.138 2.021 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.210 1.378 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.565 -0.182 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.101 -0.797 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.250 -1.704 3.224 1.00 0.00 H new ATOM 761 N GLU A 54 -11.038 0.939 1.156 1.00 0.00 N ATOM 762 CA GLU A 54 -11.707 1.628 0.009 1.00 0.00 C ATOM 763 C GLU A 54 -11.642 3.140 0.221 1.00 0.00 C ATOM 764 O GLU A 54 -12.024 3.652 1.260 1.00 0.00 O ATOM 765 CB GLU A 54 -13.170 1.176 -0.059 1.00 0.00 C ATOM 766 CG GLU A 54 -13.882 1.890 -1.210 1.00 0.00 C ATOM 767 CD GLU A 54 -15.308 1.351 -1.338 1.00 0.00 C ATOM 768 OE1 GLU A 54 -15.723 0.618 -0.455 1.00 0.00 O ATOM 769 OE2 GLU A 54 -15.957 1.675 -2.318 1.00 0.00 O ATOM 0 H GLU A 54 -11.309 1.283 2.077 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.203 1.375 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.220 0.097 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.672 1.396 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.903 2.965 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.338 1.734 -2.141 1.00 0.00 H new ATOM 776 N GLY A 55 -11.168 3.859 -0.760 1.00 0.00 N ATOM 777 CA GLY A 55 -11.077 5.340 -0.633 1.00 0.00 C ATOM 778 C GLY A 55 -9.974 5.867 -1.555 1.00 0.00 C ATOM 779 O GLY A 55 -9.244 5.110 -2.162 1.00 0.00 O ATOM 0 H GLY A 55 -10.838 3.481 -1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.032 5.797 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.863 5.614 0.400 1.00 0.00 H new ATOM 783 N LEU A 56 -9.848 7.166 -1.660 1.00 0.00 N ATOM 784 CA LEU A 56 -8.794 7.757 -2.539 1.00 0.00 C ATOM 785 C LEU A 56 -7.558 8.083 -1.699 1.00 0.00 C ATOM 786 O LEU A 56 -7.643 8.741 -0.681 1.00 0.00 O ATOM 787 CB LEU A 56 -9.324 9.039 -3.201 1.00 0.00 C ATOM 788 CG LEU A 56 -10.124 9.897 -2.185 1.00 0.00 C ATOM 789 CD1 LEU A 56 -9.938 11.387 -2.499 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.624 9.565 -2.268 1.00 0.00 C ATOM 0 H LEU A 56 -10.432 7.845 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.528 7.040 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.491 9.620 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.962 8.780 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.753 9.675 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.502 11.983 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.881 11.644 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.299 11.594 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.172 10.175 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.988 9.775 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.776 8.510 -2.039 1.00 0.00 H new ATOM 802 N ILE A 57 -6.409 7.627 -2.118 1.00 0.00 N ATOM 803 CA ILE A 57 -5.165 7.909 -1.345 1.00 0.00 C ATOM 804 C ILE A 57 -4.652 9.309 -1.689 1.00 0.00 C ATOM 805 O ILE A 57 -4.354 9.615 -2.826 1.00 0.00 O ATOM 806 CB ILE A 57 -4.108 6.851 -1.699 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.483 5.530 -1.012 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.714 7.302 -1.240 1.00 0.00 C ATOM 809 CD1 ILE A 57 -3.594 4.396 -1.525 1.00 0.00 C ATOM 0 H ILE A 57 -6.278 7.071 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.373 7.868 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.081 6.716 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.372 5.629 0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.530 5.296 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.981 6.539 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.454 8.238 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.717 7.449 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.870 3.465 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.727 4.288 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.551 4.626 -1.310 1.00 0.00 H new ATOM 821 N ASP A 58 -4.536 10.157 -0.699 1.00 0.00 N ATOM 822 CA ASP A 58 -4.030 11.542 -0.931 1.00 0.00 C ATOM 823 C ASP A 58 -2.576 11.630 -0.457 1.00 0.00 C ATOM 824 O ASP A 58 -1.818 12.471 -0.896 1.00 0.00 O ATOM 825 CB ASP A 58 -4.891 12.533 -0.142 1.00 0.00 C ATOM 826 CG ASP A 58 -4.557 13.957 -0.580 1.00 0.00 C ATOM 827 OD1 ASP A 58 -4.727 14.250 -1.752 1.00 0.00 O ATOM 828 OD2 ASP A 58 -4.140 14.733 0.265 1.00 0.00 O ATOM 0 H ASP A 58 -4.773 9.946 0.270 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.082 11.784 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.948 12.328 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.710 12.418 0.927 1.00 0.00 H new ATOM 833 N ALA A 59 -2.182 10.768 0.444 1.00 0.00 N ATOM 834 CA ALA A 59 -0.776 10.808 0.942 1.00 0.00 C ATOM 835 C ALA A 59 -0.431 9.490 1.642 1.00 0.00 C ATOM 836 O ALA A 59 -1.284 8.828 2.200 1.00 0.00 O ATOM 837 CB ALA A 59 -0.617 11.968 1.933 1.00 0.00 C ATOM 0 H ALA A 59 -2.770 10.042 0.854 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.102 10.952 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.410 11.997 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.852 12.908 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.296 11.824 2.774 1.00 0.00 H new ATOM 843 N LEU A 60 0.825 9.112 1.619 1.00 0.00 N ATOM 844 CA LEU A 60 1.258 7.842 2.286 1.00 0.00 C ATOM 845 C LEU A 60 2.476 8.171 3.151 1.00 0.00 C ATOM 846 O LEU A 60 3.436 8.745 2.677 1.00 0.00 O ATOM 847 CB LEU A 60 1.641 6.807 1.207 1.00 0.00 C ATOM 848 CG LEU A 60 1.456 5.374 1.733 1.00 0.00 C ATOM 849 CD1 LEU A 60 2.254 5.192 3.030 1.00 0.00 C ATOM 850 CD2 LEU A 60 -0.041 5.081 1.987 1.00 0.00 C ATOM 0 H LEU A 60 1.574 9.633 1.163 1.00 0.00 H new ATOM 0 HA LEU A 60 0.458 7.427 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.025 6.956 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.677 6.957 0.905 1.00 0.00 H new ATOM 0 HG LEU A 60 1.824 4.674 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.120 4.175 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.311 5.371 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.898 5.900 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.154 4.063 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.429 5.782 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.596 5.191 1.056 1.00 0.00 H new ATOM 862 N VAL A 61 2.446 7.823 4.415 1.00 0.00 N ATOM 863 CA VAL A 61 3.608 8.127 5.313 1.00 0.00 C ATOM 864 C VAL A 61 4.127 6.834 5.943 1.00 0.00 C ATOM 865 O VAL A 61 3.402 6.103 6.594 1.00 0.00 O ATOM 866 CB VAL A 61 3.149 9.073 6.420 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.332 9.405 7.331 1.00 0.00 C ATOM 868 CG2 VAL A 61 2.608 10.361 5.794 1.00 0.00 C ATOM 0 H VAL A 61 1.668 7.341 4.865 1.00 0.00 H new ATOM 0 HA VAL A 61 4.404 8.591 4.731 1.00 0.00 H new ATOM 0 HB VAL A 61 2.364 8.595 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.004 10.080 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.718 8.487 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.118 9.884 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.279 11.038 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.394 10.839 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.765 10.124 5.145 1.00 0.00 H new ATOM 878 N TYR A 62 5.388 6.559 5.756 1.00 0.00 N ATOM 879 CA TYR A 62 6.005 5.333 6.338 1.00 0.00 C ATOM 880 C TYR A 62 7.459 5.677 6.698 1.00 0.00 C ATOM 881 O TYR A 62 8.119 6.368 5.951 1.00 0.00 O ATOM 882 CB TYR A 62 5.974 4.208 5.297 1.00 0.00 C ATOM 883 CG TYR A 62 6.690 2.990 5.833 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.087 2.911 5.766 1.00 0.00 C ATOM 885 CD2 TYR A 62 5.956 1.938 6.395 1.00 0.00 C ATOM 886 CE1 TYR A 62 8.747 1.780 6.261 1.00 0.00 C ATOM 887 CE2 TYR A 62 6.617 0.808 6.890 1.00 0.00 C ATOM 888 CZ TYR A 62 8.013 0.729 6.824 1.00 0.00 C ATOM 889 OH TYR A 62 8.665 -0.384 7.312 1.00 0.00 O ATOM 0 H TYR A 62 6.028 7.141 5.216 1.00 0.00 H new ATOM 0 HA TYR A 62 5.462 5.002 7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.942 3.956 5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.448 4.542 4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.654 3.722 5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.879 1.999 6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.824 1.718 6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.050 -0.003 7.323 1.00 0.00 H new ATOM 0 HH TYR A 62 9.157 -0.145 8.125 1.00 0.00 H new ATOM 899 N PRO A 63 7.973 5.219 7.816 1.00 0.00 N ATOM 900 CA PRO A 63 9.378 5.531 8.207 1.00 0.00 C ATOM 901 C PRO A 63 10.392 4.777 7.336 1.00 0.00 C ATOM 902 O PRO A 63 10.542 3.577 7.433 1.00 0.00 O ATOM 903 CB PRO A 63 9.458 5.078 9.675 1.00 0.00 C ATOM 904 CG PRO A 63 8.415 4.013 9.806 1.00 0.00 C ATOM 905 CD PRO A 63 7.298 4.381 8.823 1.00 0.00 C ATOM 0 HA PRO A 63 9.621 6.585 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.449 4.693 9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.264 5.907 10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.830 3.032 9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.035 3.965 10.826 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.855 3.493 8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.492 4.923 9.318 1.00 0.00 H new ATOM 913 N LEU A 64 11.098 5.486 6.491 1.00 0.00 N ATOM 914 CA LEU A 64 12.112 4.827 5.613 1.00 0.00 C ATOM 915 C LEU A 64 13.446 4.767 6.347 1.00 0.00 C ATOM 916 O LEU A 64 14.444 4.338 5.803 1.00 0.00 O ATOM 917 CB LEU A 64 12.281 5.606 4.294 1.00 0.00 C ATOM 918 CG LEU A 64 12.187 7.134 4.506 1.00 0.00 C ATOM 919 CD1 LEU A 64 10.724 7.580 4.756 1.00 0.00 C ATOM 920 CD2 LEU A 64 13.093 7.570 5.674 1.00 0.00 C ATOM 0 H LEU A 64 11.015 6.496 6.371 1.00 0.00 H new ATOM 0 HA LEU A 64 11.771 3.819 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.246 5.361 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.514 5.291 3.586 1.00 0.00 H new ATOM 0 HG LEU A 64 12.531 7.621 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.693 8.660 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.110 7.311 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.339 7.083 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.016 8.649 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.778 7.065 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.127 7.305 5.451 1.00 0.00 H new ATOM 932 N GLU A 65 13.467 5.203 7.575 1.00 0.00 N ATOM 933 CA GLU A 65 14.726 5.186 8.374 1.00 0.00 C ATOM 934 C GLU A 65 15.496 3.893 8.109 1.00 0.00 C ATOM 935 O GLU A 65 14.937 2.912 7.657 1.00 0.00 O ATOM 936 CB GLU A 65 14.360 5.248 9.859 1.00 0.00 C ATOM 937 CG GLU A 65 13.581 3.984 10.240 1.00 0.00 C ATOM 938 CD GLU A 65 13.023 4.130 11.657 1.00 0.00 C ATOM 939 OE1 GLU A 65 12.803 5.255 12.073 1.00 0.00 O ATOM 940 OE2 GLU A 65 12.828 3.112 12.302 1.00 0.00 O ATOM 0 H GLU A 65 12.655 5.576 8.067 1.00 0.00 H new ATOM 0 HA GLU A 65 15.347 6.037 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.262 5.330 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.759 6.135 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.767 3.820 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.233 3.112 10.184 1.00 0.00 H new ATOM 947 N HIS A 66 16.761 3.863 8.408 1.00 0.00 N ATOM 948 CA HIS A 66 17.527 2.610 8.191 1.00 0.00 C ATOM 949 C HIS A 66 16.793 1.501 8.957 1.00 0.00 C ATOM 950 O HIS A 66 16.613 0.409 8.463 1.00 0.00 O ATOM 951 CB HIS A 66 18.971 2.797 8.721 1.00 0.00 C ATOM 952 CG HIS A 66 19.961 2.789 7.581 1.00 0.00 C ATOM 953 ND1 HIS A 66 19.644 3.266 6.318 1.00 0.00 N ATOM 954 CD2 HIS A 66 21.263 2.349 7.501 1.00 0.00 C ATOM 955 CE1 HIS A 66 20.727 3.102 5.537 1.00 0.00 C ATOM 956 NE2 HIS A 66 21.738 2.548 6.210 1.00 0.00 N ATOM 0 H HIS A 66 17.294 4.644 8.790 1.00 0.00 H new ATOM 0 HA HIS A 66 17.594 2.351 7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 66 19.045 3.737 9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 66 19.212 2.000 9.425 1.00 0.00 H new ATOM 0 HD1 HIS A 66 18.751 3.668 6.033 1.00 0.00 H new ATOM 0 HD2 HIS A 66 21.827 1.917 8.314 1.00 0.00 H new ATOM 0 HE1 HIS A 66 20.773 3.383 4.495 1.00 0.00 H new ATOM 964 N HIS A 67 16.345 1.819 10.151 1.00 0.00 N ATOM 965 CA HIS A 67 15.580 0.851 11.005 1.00 0.00 C ATOM 966 C HIS A 67 15.480 1.444 12.417 1.00 0.00 C ATOM 967 O HIS A 67 15.278 0.742 13.386 1.00 0.00 O ATOM 968 CB HIS A 67 16.297 -0.503 11.102 1.00 0.00 C ATOM 969 CG HIS A 67 17.706 -0.288 11.570 1.00 0.00 C ATOM 970 ND1 HIS A 67 18.217 0.074 12.792 1.00 0.00 N flip ATOM 971 CD2 HIS A 67 18.799 -0.445 10.731 1.00 0.00 C flip ATOM 972 CE1 HIS A 67 19.603 0.139 12.713 1.00 0.00 C flip ATOM 973 NE2 HIS A 67 19.905 -0.182 11.453 1.00 0.00 N flip ATOM 0 H HIS A 67 16.482 2.734 10.580 1.00 0.00 H new ATOM 0 HA HIS A 67 14.598 0.690 10.559 1.00 0.00 H new ATOM 0 HB2 HIS A 67 15.768 -1.158 11.794 1.00 0.00 H new ATOM 0 HB3 HIS A 67 16.296 -0.998 10.131 1.00 0.00 H new ATOM 0 HD2 HIS A 67 18.769 -0.727 9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 67 20.291 0.395 13.505 1.00 0.00 H new ATOM 0 HE2 HIS A 67 20.855 -0.223 11.083 1.00 0.00 H new ATOM 981 N HIS A 68 15.656 2.732 12.532 1.00 0.00 N ATOM 982 CA HIS A 68 15.615 3.397 13.871 1.00 0.00 C ATOM 983 C HIS A 68 14.330 3.052 14.640 1.00 0.00 C ATOM 984 O HIS A 68 13.603 2.142 14.300 1.00 0.00 O ATOM 985 CB HIS A 68 15.719 4.917 13.678 1.00 0.00 C ATOM 986 CG HIS A 68 17.149 5.286 13.381 1.00 0.00 C ATOM 987 ND1 HIS A 68 17.941 5.971 14.291 1.00 0.00 N ATOM 988 CD2 HIS A 68 17.951 5.045 12.292 1.00 0.00 C ATOM 989 CE1 HIS A 68 19.161 6.116 13.741 1.00 0.00 C ATOM 990 NE2 HIS A 68 19.217 5.569 12.526 1.00 0.00 N ATOM 0 H HIS A 68 15.829 3.361 11.748 1.00 0.00 H new ATOM 0 HA HIS A 68 16.456 3.033 14.462 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.072 5.236 12.861 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.377 5.433 14.575 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.645 4.529 11.394 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.990 6.613 14.223 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.021 5.541 11.899 1.00 0.00 H new ATOM 998 N HIS A 69 14.075 3.773 15.702 1.00 0.00 N ATOM 999 CA HIS A 69 12.871 3.504 16.539 1.00 0.00 C ATOM 1000 C HIS A 69 11.636 4.192 15.937 1.00 0.00 C ATOM 1001 O HIS A 69 11.141 3.812 14.894 1.00 0.00 O ATOM 1002 CB HIS A 69 13.134 4.053 17.949 1.00 0.00 C ATOM 1003 CG HIS A 69 12.025 3.639 18.881 1.00 0.00 C ATOM 1004 ND1 HIS A 69 10.855 4.255 19.256 1.00 0.00 N flip ATOM 1005 CD2 HIS A 69 12.056 2.433 19.569 1.00 0.00 C flip ATOM 1006 CE1 HIS A 69 10.175 3.444 20.160 1.00 0.00 C flip ATOM 1007 NE2 HIS A 69 10.939 2.363 20.315 1.00 0.00 N flip ATOM 0 H HIS A 69 14.657 4.545 16.027 1.00 0.00 H new ATOM 0 HA HIS A 69 12.680 2.431 16.577 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.089 3.681 18.320 1.00 0.00 H new ATOM 0 HB3 HIS A 69 13.206 5.140 17.917 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.835 1.687 19.515 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.227 3.648 20.636 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.705 1.579 20.924 1.00 0.00 H new ATOM 1015 N HIS A 70 11.133 5.196 16.601 1.00 0.00 N ATOM 1016 CA HIS A 70 9.931 5.918 16.105 1.00 0.00 C ATOM 1017 C HIS A 70 9.739 7.172 16.974 1.00 0.00 C ATOM 1018 O HIS A 70 10.272 8.224 16.683 1.00 0.00 O ATOM 1019 CB HIS A 70 8.703 4.985 16.197 1.00 0.00 C ATOM 1020 CG HIS A 70 7.425 5.779 16.338 1.00 0.00 C ATOM 1021 ND1 HIS A 70 6.530 5.553 17.375 1.00 0.00 N ATOM 1022 CD2 HIS A 70 6.897 6.812 15.605 1.00 0.00 C ATOM 1023 CE1 HIS A 70 5.520 6.432 17.241 1.00 0.00 C ATOM 1024 NE2 HIS A 70 5.697 7.221 16.178 1.00 0.00 N ATOM 0 H HIS A 70 11.511 5.551 17.479 1.00 0.00 H new ATOM 0 HA HIS A 70 10.052 6.216 15.063 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.650 4.360 15.306 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.814 4.315 17.050 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.344 7.241 14.720 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.673 6.492 17.909 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.081 7.967 15.854 1.00 0.00 H new ATOM 1032 N HIS A 71 8.987 7.061 18.039 1.00 0.00 N ATOM 1033 CA HIS A 71 8.759 8.234 18.931 1.00 0.00 C ATOM 1034 C HIS A 71 8.219 7.748 20.279 1.00 0.00 C ATOM 1035 O HIS A 71 8.218 6.547 20.496 1.00 0.00 O ATOM 1036 CB HIS A 71 7.742 9.186 18.289 1.00 0.00 C ATOM 1037 CG HIS A 71 8.400 9.943 17.168 1.00 0.00 C ATOM 1038 ND1 HIS A 71 9.539 10.707 17.125 1.00 0.00 N flip ATOM 1039 CD2 HIS A 71 7.888 9.952 15.877 1.00 0.00 C flip ATOM 1040 CE1 HIS A 71 9.732 11.180 15.832 1.00 0.00 C flip ATOM 1041 NE2 HIS A 71 8.712 10.699 15.119 1.00 0.00 N flip ATOM 1042 OXT HIS A 71 7.813 8.584 21.068 1.00 0.00 O ATOM 0 H HIS A 71 8.519 6.202 18.329 1.00 0.00 H new ATOM 0 HA HIS A 71 9.701 8.762 19.080 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.890 8.622 17.910 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.358 9.882 19.035 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.992 9.451 15.542 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.538 11.806 15.479 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.574 10.875 14.124 1.00 0.00 H new TER 1050 HIS A 71 ATOM 1051 N MET B 1 6.995 -17.286 11.040 1.00 0.00 N ATOM 1052 CA MET B 1 6.096 -16.098 11.073 1.00 0.00 C ATOM 1053 C MET B 1 5.800 -15.653 9.638 1.00 0.00 C ATOM 1054 O MET B 1 4.788 -15.043 9.359 1.00 0.00 O ATOM 1055 CB MET B 1 6.782 -14.962 11.837 1.00 0.00 C ATOM 1056 CG MET B 1 6.922 -15.351 13.311 1.00 0.00 C ATOM 1057 SD MET B 1 7.724 -14.004 14.217 1.00 0.00 S ATOM 1058 CE MET B 1 7.994 -14.897 15.767 1.00 0.00 C ATOM 0 H1 MET B 1 6.959 -17.775 11.957 1.00 0.00 H new ATOM 0 H2 MET B 1 6.685 -17.935 10.289 1.00 0.00 H new ATOM 0 H3 MET B 1 7.970 -16.978 10.850 1.00 0.00 H new ATOM 0 HA MET B 1 5.162 -16.354 11.574 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.764 -14.761 11.408 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.201 -14.045 11.745 1.00 0.00 H new ATOM 0 HG2 MET B 1 5.941 -15.557 13.738 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.508 -16.265 13.403 1.00 0.00 H new ATOM 0 HE1 MET B 1 8.487 -14.241 16.484 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.035 -15.221 16.172 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.622 -15.768 15.580 1.00 0.00 H new ATOM 1070 N ASP B 2 6.681 -15.962 8.726 1.00 0.00 N ATOM 1071 CA ASP B 2 6.464 -15.575 7.303 1.00 0.00 C ATOM 1072 C ASP B 2 6.289 -14.058 7.187 1.00 0.00 C ATOM 1073 O ASP B 2 5.308 -13.497 7.631 1.00 0.00 O ATOM 1074 CB ASP B 2 5.215 -16.279 6.763 1.00 0.00 C ATOM 1075 CG ASP B 2 5.221 -16.238 5.231 1.00 0.00 C ATOM 1076 OD1 ASP B 2 5.178 -15.147 4.687 1.00 0.00 O ATOM 1077 OD2 ASP B 2 5.273 -17.298 4.630 1.00 0.00 O ATOM 0 H ASP B 2 7.547 -16.469 8.907 1.00 0.00 H new ATOM 0 HA ASP B 2 7.334 -15.876 6.719 1.00 0.00 H new ATOM 0 HB2 ASP B 2 5.190 -17.312 7.109 1.00 0.00 H new ATOM 0 HB3 ASP B 2 4.318 -15.793 7.146 1.00 0.00 H new ATOM 1082 N ASN B 3 7.236 -13.394 6.578 1.00 0.00 N ATOM 1083 CA ASN B 3 7.147 -11.912 6.408 1.00 0.00 C ATOM 1084 C ASN B 3 6.710 -11.594 4.978 1.00 0.00 C ATOM 1085 O ASN B 3 6.789 -10.468 4.528 1.00 0.00 O ATOM 1086 CB ASN B 3 8.522 -11.293 6.672 1.00 0.00 C ATOM 1087 CG ASN B 3 9.585 -12.027 5.857 1.00 0.00 C ATOM 1088 OD1 ASN B 3 10.080 -13.058 6.267 1.00 0.00 O ATOM 1089 ND2 ASN B 3 9.959 -11.534 4.708 1.00 0.00 N ATOM 0 H ASN B 3 8.077 -13.819 6.187 1.00 0.00 H new ATOM 0 HA ASN B 3 6.421 -11.502 7.110 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.512 -10.236 6.406 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.760 -11.352 7.734 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.667 -12.014 4.153 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.543 -10.668 4.365 1.00 0.00 H new ATOM 1096 N ARG B 4 6.250 -12.580 4.255 1.00 0.00 N ATOM 1097 CA ARG B 4 5.807 -12.342 2.850 1.00 0.00 C ATOM 1098 C ARG B 4 4.338 -11.923 2.848 1.00 0.00 C ATOM 1099 O ARG B 4 3.521 -12.481 3.554 1.00 0.00 O ATOM 1100 CB ARG B 4 5.962 -13.635 2.036 1.00 0.00 C ATOM 1101 CG ARG B 4 7.400 -14.168 2.139 1.00 0.00 C ATOM 1102 CD ARG B 4 8.335 -13.373 1.221 1.00 0.00 C ATOM 1103 NE ARG B 4 7.948 -13.598 -0.201 1.00 0.00 N ATOM 1104 CZ ARG B 4 8.370 -14.660 -0.835 1.00 0.00 C ATOM 1105 NH1 ARG B 4 9.107 -15.540 -0.215 1.00 0.00 N ATOM 1106 NH2 ARG B 4 8.046 -14.845 -2.085 1.00 0.00 N ATOM 0 H ARG B 4 6.162 -13.543 4.578 1.00 0.00 H new ATOM 0 HA ARG B 4 6.417 -11.555 2.406 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.262 -14.387 2.401 1.00 0.00 H new ATOM 0 HB3 ARG B 4 5.712 -13.446 0.992 1.00 0.00 H new ATOM 0 HG2 ARG B 4 7.747 -14.098 3.170 1.00 0.00 H new ATOM 0 HG3 ARG B 4 7.423 -15.223 1.866 1.00 0.00 H new ATOM 0 HD2 ARG B 4 8.280 -12.311 1.460 1.00 0.00 H new ATOM 0 HD3 ARG B 4 9.368 -13.682 1.381 1.00 0.00 H new ATOM 0 HE ARG B 4 7.353 -12.922 -0.680 1.00 0.00 H new ATOM 0 HH11 ARG B 4 9.354 -15.399 0.765 1.00 0.00 H new ATOM 0 HH12 ARG B 4 9.436 -16.369 -0.710 1.00 0.00 H new ATOM 0 HH21 ARG B 4 7.463 -14.161 -2.567 1.00 0.00 H new ATOM 0 HH22 ARG B 4 8.375 -15.674 -2.580 1.00 0.00 H new ATOM 1120 N GLN B 5 3.997 -10.942 2.058 1.00 0.00 N ATOM 1121 CA GLN B 5 2.580 -10.476 2.002 1.00 0.00 C ATOM 1122 C GLN B 5 2.254 -10.020 0.580 1.00 0.00 C ATOM 1123 O GLN B 5 3.135 -9.794 -0.231 1.00 0.00 O ATOM 1124 CB GLN B 5 2.379 -9.313 2.977 1.00 0.00 C ATOM 1125 CG GLN B 5 3.377 -8.198 2.669 1.00 0.00 C ATOM 1126 CD GLN B 5 3.254 -7.106 3.732 1.00 0.00 C ATOM 1127 OE1 GLN B 5 4.220 -6.442 4.052 1.00 0.00 O ATOM 1128 NE2 GLN B 5 2.100 -6.891 4.300 1.00 0.00 N ATOM 0 H GLN B 5 4.641 -10.440 1.446 1.00 0.00 H new ATOM 0 HA GLN B 5 1.917 -11.294 2.283 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.360 -8.933 2.899 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.512 -9.659 4.002 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.392 -8.596 2.655 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.183 -7.783 1.680 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.288 -7.448 4.032 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.009 -6.166 5.012 1.00 0.00 H new ATOM 1137 N PHE B 6 0.988 -9.892 0.273 1.00 0.00 N ATOM 1138 CA PHE B 6 0.572 -9.462 -1.096 1.00 0.00 C ATOM 1139 C PHE B 6 0.019 -8.042 -1.023 1.00 0.00 C ATOM 1140 O PHE B 6 -0.829 -7.741 -0.208 1.00 0.00 O ATOM 1141 CB PHE B 6 -0.521 -10.404 -1.603 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.119 -11.831 -1.306 1.00 0.00 C ATOM 1143 CD1 PHE B 6 1.004 -12.385 -1.932 1.00 0.00 C ATOM 1144 CD2 PHE B 6 -0.862 -12.598 -0.397 1.00 0.00 C ATOM 1145 CE1 PHE B 6 1.384 -13.703 -1.650 1.00 0.00 C ATOM 1146 CE2 PHE B 6 -0.482 -13.914 -0.116 1.00 0.00 C ATOM 1147 CZ PHE B 6 0.642 -14.468 -0.742 1.00 0.00 C ATOM 0 H PHE B 6 0.218 -10.069 0.918 1.00 0.00 H new ATOM 0 HA PHE B 6 1.426 -9.491 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.471 -10.172 -1.121 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -0.666 -10.269 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE B 6 1.577 -11.796 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -1.729 -12.172 0.087 1.00 0.00 H new ATOM 0 HE1 PHE B 6 2.250 -14.130 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -1.055 -14.504 0.584 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.936 -15.484 -0.524 1.00 0.00 H new ATOM 1157 N LEU B 7 0.493 -7.168 -1.873 1.00 0.00 N ATOM 1158 CA LEU B 7 0.002 -5.754 -1.872 1.00 0.00 C ATOM 1159 C LEU B 7 -0.751 -5.497 -3.170 1.00 0.00 C ATOM 1160 O LEU B 7 -0.316 -5.887 -4.235 1.00 0.00 O ATOM 1161 CB LEU B 7 1.194 -4.794 -1.764 1.00 0.00 C ATOM 1162 CG LEU B 7 0.699 -3.323 -1.630 1.00 0.00 C ATOM 1163 CD1 LEU B 7 1.586 -2.555 -0.645 1.00 0.00 C ATOM 1164 CD2 LEU B 7 0.756 -2.616 -2.993 1.00 0.00 C ATOM 0 H LEU B 7 1.205 -7.374 -2.574 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.661 -5.591 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.805 -5.059 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.828 -4.892 -2.645 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.329 -3.342 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.230 -1.528 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.545 -3.036 0.332 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.614 -2.554 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.407 -1.589 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.783 -2.614 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.118 -3.143 -3.703 1.00 0.00 H new ATOM 1176 N SER B 8 -1.891 -4.857 -3.084 1.00 0.00 N ATOM 1177 CA SER B 8 -2.699 -4.581 -4.311 1.00 0.00 C ATOM 1178 C SER B 8 -3.115 -3.117 -4.349 1.00 0.00 C ATOM 1179 O SER B 8 -3.474 -2.529 -3.349 1.00 0.00 O ATOM 1180 CB SER B 8 -3.952 -5.455 -4.299 1.00 0.00 C ATOM 1181 OG SER B 8 -4.867 -4.975 -5.276 1.00 0.00 O ATOM 0 H SER B 8 -2.297 -4.513 -2.214 1.00 0.00 H new ATOM 0 HA SER B 8 -2.094 -4.805 -5.190 1.00 0.00 H new ATOM 0 HB2 SER B 8 -3.689 -6.492 -4.509 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.413 -5.437 -3.312 1.00 0.00 H new ATOM 0 HG SER B 8 -5.605 -5.613 -5.375 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.069 -2.524 -5.513 1.00 0.00 N ATOM 1188 CA LEU B 9 -3.464 -1.097 -5.645 1.00 0.00 C ATOM 1189 C LEU B 9 -4.011 -0.851 -7.054 1.00 0.00 C ATOM 1190 O LEU B 9 -3.573 -1.453 -8.017 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.248 -0.196 -5.394 1.00 0.00 C ATOM 1192 CG LEU B 9 -2.680 1.278 -5.400 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -3.658 1.550 -4.241 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -1.441 2.168 -5.250 1.00 0.00 C ATOM 0 H LEU B 9 -2.773 -2.972 -6.380 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.235 -0.864 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.790 -0.446 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.494 -0.366 -6.162 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.181 1.501 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.957 2.598 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.540 0.919 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.170 1.325 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -1.743 3.215 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -0.940 1.938 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -0.758 1.984 -6.080 1.00 0.00 H new ATOM 1206 N THR B 10 -4.975 0.028 -7.174 1.00 0.00 N ATOM 1207 CA THR B 10 -5.581 0.336 -8.509 1.00 0.00 C ATOM 1208 C THR B 10 -5.612 1.852 -8.716 1.00 0.00 C ATOM 1209 O THR B 10 -5.218 2.612 -7.855 1.00 0.00 O ATOM 1210 CB THR B 10 -7.012 -0.206 -8.552 1.00 0.00 C ATOM 1211 OG1 THR B 10 -7.883 0.710 -7.905 1.00 0.00 O ATOM 1212 CG2 THR B 10 -7.069 -1.561 -7.844 1.00 0.00 C ATOM 0 H THR B 10 -5.373 0.552 -6.395 1.00 0.00 H new ATOM 0 HA THR B 10 -4.986 -0.129 -9.295 1.00 0.00 H new ATOM 0 HB THR B 10 -7.323 -0.330 -9.589 1.00 0.00 H new ATOM 0 HG1 THR B 10 -8.804 0.547 -8.197 1.00 0.00 H new ATOM 0 HG21 THR B 10 -8.088 -1.945 -7.876 1.00 0.00 H new ATOM 0 HG22 THR B 10 -6.401 -2.262 -8.345 1.00 0.00 H new ATOM 0 HG23 THR B 10 -6.758 -1.443 -6.806 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.072 2.293 -9.856 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.130 3.760 -10.127 1.00 0.00 C ATOM 1222 C GLY B 11 -4.754 4.257 -10.567 1.00 0.00 C ATOM 1223 O GLY B 11 -4.464 5.437 -10.523 1.00 0.00 O ATOM 0 H GLY B 11 -6.411 1.700 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -6.867 3.967 -10.902 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -6.451 4.293 -9.232 1.00 0.00 H new ATOM 1227 N VAL B 12 -3.900 3.368 -10.993 1.00 0.00 N ATOM 1228 CA VAL B 12 -2.544 3.793 -11.433 1.00 0.00 C ATOM 1229 C VAL B 12 -2.633 4.472 -12.801 1.00 0.00 C ATOM 1230 O VAL B 12 -3.227 3.957 -13.728 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.631 2.568 -11.525 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -0.276 2.978 -12.109 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -1.426 1.988 -10.124 1.00 0.00 C ATOM 0 H VAL B 12 -4.083 2.367 -11.055 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.134 4.498 -10.710 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.090 1.819 -12.171 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.372 2.104 -12.173 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.421 3.397 -13.105 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.187 3.726 -11.465 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.776 1.115 -10.183 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.966 2.740 -9.483 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.390 1.696 -9.707 1.00 0.00 H new ATOM 1243 N SER B 13 -2.032 5.622 -12.935 1.00 0.00 N ATOM 1244 CA SER B 13 -2.067 6.335 -14.240 1.00 0.00 C ATOM 1245 C SER B 13 -1.146 5.619 -15.226 1.00 0.00 C ATOM 1246 O SER B 13 -1.477 5.429 -16.381 1.00 0.00 O ATOM 1247 CB SER B 13 -1.587 7.773 -14.049 1.00 0.00 C ATOM 1248 OG SER B 13 -1.661 8.461 -15.291 1.00 0.00 O ATOM 0 H SER B 13 -1.517 6.099 -12.194 1.00 0.00 H new ATOM 0 HA SER B 13 -3.086 6.343 -14.627 1.00 0.00 H new ATOM 0 HB2 SER B 13 -2.201 8.278 -13.303 1.00 0.00 H new ATOM 0 HB3 SER B 13 -0.563 7.780 -13.676 1.00 0.00 H new ATOM 0 HG SER B 13 -1.355 9.384 -15.172 1.00 0.00 H new ATOM 1254 N LYS B 14 0.012 5.214 -14.780 1.00 0.00 N ATOM 1255 CA LYS B 14 0.950 4.505 -15.698 1.00 0.00 C ATOM 1256 C LYS B 14 2.105 3.899 -14.898 1.00 0.00 C ATOM 1257 O LYS B 14 2.382 4.296 -13.781 1.00 0.00 O ATOM 1258 CB LYS B 14 1.495 5.492 -16.744 1.00 0.00 C ATOM 1259 CG LYS B 14 2.186 6.693 -16.050 1.00 0.00 C ATOM 1260 CD LYS B 14 3.709 6.507 -16.042 1.00 0.00 C ATOM 1261 CE LYS B 14 4.369 7.744 -15.430 1.00 0.00 C ATOM 1262 NZ LYS B 14 5.848 7.564 -15.419 1.00 0.00 N ATOM 0 H LYS B 14 0.348 5.342 -13.826 1.00 0.00 H new ATOM 0 HA LYS B 14 0.416 3.703 -16.208 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.205 4.984 -17.397 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.681 5.848 -17.375 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.929 7.617 -16.569 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.820 6.789 -15.028 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.975 5.619 -15.469 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.073 6.352 -17.058 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.104 8.632 -16.004 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.003 7.900 -14.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 6.171 7.405 -14.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.102 6.744 -16.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.304 8.417 -15.800 1.00 0.00 H new ATOM 1276 N VAL B 15 2.781 2.936 -15.466 1.00 0.00 N ATOM 1277 CA VAL B 15 3.919 2.292 -14.752 1.00 0.00 C ATOM 1278 C VAL B 15 5.175 3.151 -14.913 1.00 0.00 C ATOM 1279 O VAL B 15 5.804 3.166 -15.954 1.00 0.00 O ATOM 1280 CB VAL B 15 4.163 0.908 -15.355 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.103 0.111 -14.449 1.00 0.00 C ATOM 1282 CG2 VAL B 15 2.828 0.169 -15.483 1.00 0.00 C ATOM 0 H VAL B 15 2.592 2.567 -16.398 1.00 0.00 H new ATOM 0 HA VAL B 15 3.684 2.196 -13.692 1.00 0.00 H new ATOM 0 HB VAL B 15 4.618 1.016 -16.340 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.275 -0.875 -14.881 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.053 0.638 -14.357 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.652 0.001 -13.463 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.998 -0.818 -15.913 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.375 0.063 -14.497 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.159 0.736 -16.130 1.00 0.00 H new ATOM 1292 N GLN B 16 5.548 3.865 -13.890 1.00 0.00 N ATOM 1293 CA GLN B 16 6.762 4.721 -13.981 1.00 0.00 C ATOM 1294 C GLN B 16 8.003 3.831 -14.097 1.00 0.00 C ATOM 1295 O GLN B 16 8.952 4.156 -14.782 1.00 0.00 O ATOM 1296 CB GLN B 16 6.865 5.599 -12.730 1.00 0.00 C ATOM 1297 CG GLN B 16 8.035 6.572 -12.884 1.00 0.00 C ATOM 1298 CD GLN B 16 8.021 7.571 -11.724 1.00 0.00 C ATOM 1299 OE1 GLN B 16 7.039 7.688 -11.020 1.00 0.00 O ATOM 1300 NE2 GLN B 16 9.074 8.310 -11.499 1.00 0.00 N ATOM 0 H GLN B 16 5.064 3.893 -12.993 1.00 0.00 H new ATOM 0 HA GLN B 16 6.694 5.361 -14.861 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.937 6.151 -12.583 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.010 4.977 -11.847 1.00 0.00 H new ATOM 0 HG2 GLN B 16 8.978 6.025 -12.896 1.00 0.00 H new ATOM 0 HG3 GLN B 16 7.960 7.100 -13.834 1.00 0.00 H new ATOM 0 HE21 GLN B 16 9.900 8.214 -12.089 1.00 0.00 H new ATOM 0 HE22 GLN B 16 9.070 8.984 -10.733 1.00 0.00 H new ATOM 1309 N SER B 17 8.002 2.708 -13.431 1.00 0.00 N ATOM 1310 CA SER B 17 9.181 1.800 -13.504 1.00 0.00 C ATOM 1311 C SER B 17 8.794 0.426 -12.951 1.00 0.00 C ATOM 1312 O SER B 17 7.904 0.306 -12.131 1.00 0.00 O ATOM 1313 CB SER B 17 10.332 2.374 -12.674 1.00 0.00 C ATOM 1314 OG SER B 17 11.543 1.725 -13.042 1.00 0.00 O ATOM 0 H SER B 17 7.237 2.381 -12.841 1.00 0.00 H new ATOM 0 HA SER B 17 9.499 1.705 -14.542 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.416 3.448 -12.840 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.137 2.230 -11.611 1.00 0.00 H new ATOM 0 HG SER B 17 12.283 2.091 -12.514 1.00 0.00 H new ATOM 1320 N PHE B 18 9.454 -0.613 -13.394 1.00 0.00 N ATOM 1321 CA PHE B 18 9.127 -1.983 -12.895 1.00 0.00 C ATOM 1322 C PHE B 18 10.420 -2.775 -12.697 1.00 0.00 C ATOM 1323 O PHE B 18 11.029 -3.235 -13.642 1.00 0.00 O ATOM 1324 CB PHE B 18 8.249 -2.693 -13.931 1.00 0.00 C ATOM 1325 CG PHE B 18 7.870 -4.070 -13.429 1.00 0.00 C ATOM 1326 CD1 PHE B 18 6.990 -4.201 -12.349 1.00 0.00 C ATOM 1327 CD2 PHE B 18 8.393 -5.214 -14.049 1.00 0.00 C ATOM 1328 CE1 PHE B 18 6.633 -5.473 -11.886 1.00 0.00 C ATOM 1329 CE2 PHE B 18 8.035 -6.486 -13.585 1.00 0.00 C ATOM 1330 CZ PHE B 18 7.156 -6.616 -12.504 1.00 0.00 C ATOM 0 H PHE B 18 10.207 -0.572 -14.081 1.00 0.00 H new ATOM 0 HA PHE B 18 8.597 -1.914 -11.945 1.00 0.00 H new ATOM 0 HB2 PHE B 18 7.351 -2.106 -14.122 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.783 -2.776 -14.878 1.00 0.00 H new ATOM 0 HD1 PHE B 18 6.586 -3.320 -11.872 1.00 0.00 H new ATOM 0 HD2 PHE B 18 9.071 -5.114 -14.884 1.00 0.00 H new ATOM 0 HE1 PHE B 18 5.954 -5.573 -11.052 1.00 0.00 H new ATOM 0 HE2 PHE B 18 8.438 -7.367 -14.062 1.00 0.00 H new ATOM 0 HZ PHE B 18 6.881 -7.597 -12.146 1.00 0.00 H new ATOM 1340 N ASP B 19 10.834 -2.943 -11.464 1.00 0.00 N ATOM 1341 CA ASP B 19 12.083 -3.716 -11.166 1.00 0.00 C ATOM 1342 C ASP B 19 11.773 -4.696 -10.021 1.00 0.00 C ATOM 1343 O ASP B 19 10.928 -4.422 -9.192 1.00 0.00 O ATOM 1344 CB ASP B 19 13.217 -2.752 -10.752 1.00 0.00 C ATOM 1345 CG ASP B 19 12.995 -1.387 -11.406 1.00 0.00 C ATOM 1346 OD1 ASP B 19 13.153 -1.297 -12.612 1.00 0.00 O ATOM 1347 OD2 ASP B 19 12.676 -0.453 -10.689 1.00 0.00 O ATOM 0 H ASP B 19 10.355 -2.574 -10.642 1.00 0.00 H new ATOM 0 HA ASP B 19 12.410 -4.263 -12.050 1.00 0.00 H new ATOM 0 HB2 ASP B 19 13.241 -2.647 -9.667 1.00 0.00 H new ATOM 0 HB3 ASP B 19 14.182 -3.159 -11.054 1.00 0.00 H new ATOM 1352 N PRO B 20 12.434 -5.825 -9.968 1.00 0.00 N ATOM 1353 CA PRO B 20 12.188 -6.832 -8.894 1.00 0.00 C ATOM 1354 C PRO B 20 12.710 -6.356 -7.530 1.00 0.00 C ATOM 1355 O PRO B 20 12.341 -6.884 -6.501 1.00 0.00 O ATOM 1356 CB PRO B 20 12.948 -8.076 -9.379 1.00 0.00 C ATOM 1357 CG PRO B 20 14.035 -7.544 -10.261 1.00 0.00 C ATOM 1358 CD PRO B 20 13.482 -6.269 -10.905 1.00 0.00 C ATOM 0 HA PRO B 20 11.125 -7.018 -8.737 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.359 -8.639 -8.541 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.291 -8.752 -9.926 1.00 0.00 H new ATOM 0 HG2 PRO B 20 14.934 -7.329 -9.683 1.00 0.00 H new ATOM 0 HG3 PRO B 20 14.312 -8.275 -11.021 1.00 0.00 H new ATOM 0 HD2 PRO B 20 14.258 -5.513 -11.024 1.00 0.00 H new ATOM 0 HD3 PRO B 20 13.074 -6.467 -11.896 1.00 0.00 H new ATOM 1366 N LYS B 21 13.564 -5.358 -7.518 1.00 0.00 N ATOM 1367 CA LYS B 21 14.114 -4.835 -6.225 1.00 0.00 C ATOM 1368 C LYS B 21 13.502 -3.465 -5.919 1.00 0.00 C ATOM 1369 O LYS B 21 13.683 -2.914 -4.851 1.00 0.00 O ATOM 1370 CB LYS B 21 15.633 -4.699 -6.345 1.00 0.00 C ATOM 1371 CG LYS B 21 16.251 -6.091 -6.493 1.00 0.00 C ATOM 1372 CD LYS B 21 17.779 -5.999 -6.426 1.00 0.00 C ATOM 1373 CE LYS B 21 18.328 -5.328 -7.689 1.00 0.00 C ATOM 1374 NZ LYS B 21 19.800 -5.548 -7.762 1.00 0.00 N ATOM 0 H LYS B 21 13.905 -4.881 -8.353 1.00 0.00 H new ATOM 0 HA LYS B 21 13.868 -5.526 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.888 -4.081 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.037 -4.200 -5.464 1.00 0.00 H new ATOM 0 HG2 LYS B 21 15.883 -6.746 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS B 21 15.947 -6.533 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS B 21 18.077 -5.431 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS B 21 18.206 -6.996 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS B 21 17.843 -5.740 -8.574 1.00 0.00 H new ATOM 0 HE3 LYS B 21 18.108 -4.260 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 20.177 -5.094 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 20.255 -5.135 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 19.997 -6.569 -7.796 1.00 0.00 H new ATOM 1388 N GLU B 22 12.781 -2.910 -6.851 1.00 0.00 N ATOM 1389 CA GLU B 22 12.152 -1.577 -6.623 1.00 0.00 C ATOM 1390 C GLU B 22 11.125 -1.305 -7.721 1.00 0.00 C ATOM 1391 O GLU B 22 11.425 -1.394 -8.893 1.00 0.00 O ATOM 1392 CB GLU B 22 13.230 -0.486 -6.636 1.00 0.00 C ATOM 1393 CG GLU B 22 12.565 0.894 -6.565 1.00 0.00 C ATOM 1394 CD GLU B 22 13.597 1.947 -6.152 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.778 1.675 -6.286 1.00 0.00 O ATOM 1396 OE2 GLU B 22 13.186 3.007 -5.710 1.00 0.00 O ATOM 0 H GLU B 22 12.598 -3.323 -7.766 1.00 0.00 H new ATOM 0 HA GLU B 22 11.654 -1.572 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.907 -0.619 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.831 -0.565 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU B 22 12.137 1.152 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU B 22 11.744 0.876 -5.848 1.00 0.00 H new ATOM 1403 N ILE B 23 9.911 -0.982 -7.349 1.00 0.00 N ATOM 1404 CA ILE B 23 8.851 -0.709 -8.375 1.00 0.00 C ATOM 1405 C ILE B 23 8.242 0.670 -8.131 1.00 0.00 C ATOM 1406 O ILE B 23 7.865 1.009 -7.026 1.00 0.00 O ATOM 1407 CB ILE B 23 7.758 -1.776 -8.274 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.366 -3.152 -8.572 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.664 -1.471 -9.299 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.340 -4.247 -8.276 1.00 0.00 C ATOM 0 H ILE B 23 9.606 -0.895 -6.380 1.00 0.00 H new ATOM 0 HA ILE B 23 9.295 -0.735 -9.370 1.00 0.00 H new ATOM 0 HB ILE B 23 7.332 -1.775 -7.271 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.676 -3.204 -9.616 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.259 -3.304 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.882 -2.227 -9.233 1.00 0.00 H new ATOM 0 HG22 ILE B 23 6.237 -0.489 -9.094 1.00 0.00 H new ATOM 0 HG23 ILE B 23 7.092 -1.479 -10.301 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.777 -5.222 -8.489 1.00 0.00 H new ATOM 0 HD12 ILE B 23 7.051 -4.201 -7.226 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.460 -4.099 -8.901 1.00 0.00 H new ATOM 1422 N LEU B 24 8.151 1.469 -9.165 1.00 0.00 N ATOM 1423 CA LEU B 24 7.573 2.843 -9.028 1.00 0.00 C ATOM 1424 C LEU B 24 6.255 2.909 -9.798 1.00 0.00 C ATOM 1425 O LEU B 24 6.188 2.552 -10.957 1.00 0.00 O ATOM 1426 CB LEU B 24 8.548 3.859 -9.627 1.00 0.00 C ATOM 1427 CG LEU B 24 9.935 3.676 -9.000 1.00 0.00 C ATOM 1428 CD1 LEU B 24 10.908 4.681 -9.620 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.854 3.899 -7.484 1.00 0.00 C ATOM 0 H LEU B 24 8.455 1.226 -10.108 1.00 0.00 H new ATOM 0 HA LEU B 24 7.402 3.068 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.607 3.728 -10.708 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.188 4.872 -9.448 1.00 0.00 H new ATOM 0 HG LEU B 24 10.289 2.663 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU B 24 11.895 4.553 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.969 4.512 -10.695 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.554 5.694 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.842 3.768 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.499 4.910 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.163 3.178 -7.047 1.00 0.00 H new ATOM 1441 N LEU B 25 5.206 3.363 -9.157 1.00 0.00 N ATOM 1442 CA LEU B 25 3.876 3.461 -9.839 1.00 0.00 C ATOM 1443 C LEU B 25 3.324 4.876 -9.687 1.00 0.00 C ATOM 1444 O LEU B 25 3.211 5.396 -8.593 1.00 0.00 O ATOM 1445 CB LEU B 25 2.901 2.469 -9.197 1.00 0.00 C ATOM 1446 CG LEU B 25 3.419 1.039 -9.386 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.504 0.067 -8.635 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.449 0.674 -10.884 1.00 0.00 C ATOM 0 H LEU B 25 5.213 3.672 -8.185 1.00 0.00 H new ATOM 0 HA LEU B 25 3.996 3.228 -10.897 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.791 2.689 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.914 2.571 -9.648 1.00 0.00 H new ATOM 0 HG LEU B 25 4.432 0.971 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.869 -0.952 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.500 0.317 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.491 0.143 -9.029 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.819 -0.344 -11.003 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.442 0.745 -11.296 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.107 1.363 -11.413 1.00 0.00 H new ATOM 1460 N GLU B 26 2.966 5.499 -10.778 1.00 0.00 N ATOM 1461 CA GLU B 26 2.402 6.878 -10.706 1.00 0.00 C ATOM 1462 C GLU B 26 0.879 6.773 -10.662 1.00 0.00 C ATOM 1463 O GLU B 26 0.250 6.355 -11.622 1.00 0.00 O ATOM 1464 CB GLU B 26 2.820 7.668 -11.946 1.00 0.00 C ATOM 1465 CG GLU B 26 2.369 9.124 -11.802 1.00 0.00 C ATOM 1466 CD GLU B 26 2.675 9.882 -13.095 1.00 0.00 C ATOM 1467 OE1 GLU B 26 1.917 9.730 -14.038 1.00 0.00 O ATOM 1468 OE2 GLU B 26 3.660 10.600 -13.120 1.00 0.00 O ATOM 0 H GLU B 26 3.040 5.111 -11.718 1.00 0.00 H new ATOM 0 HA GLU B 26 2.772 7.388 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.902 7.622 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.377 7.226 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.301 9.166 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.882 9.594 -10.962 1.00 0.00 H new ATOM 1475 N THR B 27 0.284 7.132 -9.547 1.00 0.00 N ATOM 1476 CA THR B 27 -1.204 7.044 -9.404 1.00 0.00 C ATOM 1477 C THR B 27 -1.784 8.400 -9.002 1.00 0.00 C ATOM 1478 O THR B 27 -1.079 9.289 -8.569 1.00 0.00 O ATOM 1479 CB THR B 27 -1.550 6.008 -8.331 1.00 0.00 C ATOM 1480 OG1 THR B 27 -2.954 5.803 -8.314 1.00 0.00 O ATOM 1481 CG2 THR B 27 -1.086 6.506 -6.958 1.00 0.00 C ATOM 0 H THR B 27 0.771 7.485 -8.724 1.00 0.00 H new ATOM 0 HA THR B 27 -1.632 6.747 -10.361 1.00 0.00 H new ATOM 0 HB THR B 27 -1.045 5.069 -8.558 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.221 5.442 -7.443 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.335 5.765 -6.199 1.00 0.00 H new ATOM 0 HG22 THR B 27 -0.007 6.662 -6.973 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.585 7.446 -6.724 1.00 0.00 H new ATOM 1489 N ILE B 28 -3.079 8.538 -9.141 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.789 9.809 -8.780 1.00 0.00 C ATOM 1491 C ILE B 28 -2.907 11.038 -9.043 1.00 0.00 C ATOM 1492 O ILE B 28 -2.977 11.645 -10.093 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.196 9.775 -7.300 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -4.883 8.440 -6.979 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.163 10.927 -7.010 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -6.021 8.166 -7.971 1.00 0.00 C ATOM 0 H ILE B 28 -3.691 7.805 -9.499 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.677 9.887 -9.407 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.305 9.879 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -4.154 7.631 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -5.277 8.462 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.452 10.903 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.675 11.876 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.051 10.822 -7.633 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.495 7.216 -7.727 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -6.758 8.966 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -5.619 8.121 -8.983 1.00 0.00 H new ATOM 1508 N GLN B 29 -2.088 11.423 -8.096 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.220 12.623 -8.296 1.00 0.00 C ATOM 1510 C GLN B 29 0.089 12.449 -7.521 1.00 0.00 C ATOM 1511 O GLN B 29 0.717 13.411 -7.127 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.959 13.863 -7.784 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.340 13.664 -6.315 1.00 0.00 C ATOM 1514 CD GLN B 29 -3.175 14.854 -5.841 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.961 15.971 -6.268 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -4.126 14.662 -4.968 1.00 0.00 N ATOM 0 H GLN B 29 -1.983 10.958 -7.194 1.00 0.00 H new ATOM 0 HA GLN B 29 -0.993 12.739 -9.356 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -1.327 14.745 -7.890 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.854 14.038 -8.382 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -2.905 12.739 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.442 13.570 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.307 13.725 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.688 15.449 -4.645 1.00 0.00 H new ATOM 1525 N GLY B 30 0.509 11.231 -7.303 1.00 0.00 N ATOM 1526 CA GLY B 30 1.781 11.001 -6.557 1.00 0.00 C ATOM 1527 C GLY B 30 2.393 9.671 -6.992 1.00 0.00 C ATOM 1528 O GLY B 30 1.750 8.862 -7.630 1.00 0.00 O ATOM 0 H GLY B 30 0.027 10.386 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.480 11.815 -6.749 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.589 10.992 -5.484 1.00 0.00 H new ATOM 1532 N VAL B 31 3.639 9.446 -6.653 1.00 0.00 N ATOM 1533 CA VAL B 31 4.323 8.172 -7.042 1.00 0.00 C ATOM 1534 C VAL B 31 4.602 7.349 -5.785 1.00 0.00 C ATOM 1535 O VAL B 31 5.108 7.848 -4.799 1.00 0.00 O ATOM 1536 CB VAL B 31 5.651 8.495 -7.742 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.479 7.214 -7.908 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.371 9.097 -9.123 1.00 0.00 C ATOM 0 H VAL B 31 4.216 10.096 -6.119 1.00 0.00 H new ATOM 0 HA VAL B 31 3.684 7.606 -7.720 1.00 0.00 H new ATOM 0 HB VAL B 31 6.207 9.210 -7.136 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.420 7.451 -8.405 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.685 6.784 -6.928 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.921 6.496 -8.509 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.315 9.326 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.809 8.382 -9.724 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.790 10.012 -9.010 1.00 0.00 H new ATOM 1548 N LEU B 32 4.275 6.084 -5.822 1.00 0.00 N ATOM 1549 CA LEU B 32 4.515 5.199 -4.644 1.00 0.00 C ATOM 1550 C LEU B 32 5.722 4.316 -4.934 1.00 0.00 C ATOM 1551 O LEU B 32 5.763 3.612 -5.925 1.00 0.00 O ATOM 1552 CB LEU B 32 3.284 4.316 -4.418 1.00 0.00 C ATOM 1553 CG LEU B 32 3.458 3.474 -3.144 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.525 4.379 -1.900 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.273 2.508 -3.023 1.00 0.00 C ATOM 0 H LEU B 32 3.848 5.622 -6.625 1.00 0.00 H new ATOM 0 HA LEU B 32 4.699 5.801 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.393 4.938 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU B 32 3.135 3.662 -5.277 1.00 0.00 H new ATOM 0 HG LEU B 32 4.391 2.914 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.648 3.764 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.371 5.060 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.603 4.955 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.386 1.905 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.345 3.076 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.245 1.855 -3.895 1.00 0.00 H new ATOM 1567 N SER B 33 6.712 4.352 -4.076 1.00 0.00 N ATOM 1568 CA SER B 33 7.933 3.520 -4.288 1.00 0.00 C ATOM 1569 C SER B 33 7.944 2.368 -3.287 1.00 0.00 C ATOM 1570 O SER B 33 7.911 2.571 -2.085 1.00 0.00 O ATOM 1571 CB SER B 33 9.178 4.386 -4.089 1.00 0.00 C ATOM 1572 OG SER B 33 8.997 5.203 -2.944 1.00 0.00 O ATOM 0 H SER B 33 6.725 4.926 -3.233 1.00 0.00 H new ATOM 0 HA SER B 33 7.930 3.118 -5.301 1.00 0.00 H new ATOM 0 HB2 SER B 33 10.059 3.756 -3.966 1.00 0.00 H new ATOM 0 HB3 SER B 33 9.350 5.005 -4.969 1.00 0.00 H new ATOM 0 HG SER B 33 8.377 5.931 -3.157 1.00 0.00 H new ATOM 1578 N ILE B 34 7.999 1.159 -3.784 1.00 0.00 N ATOM 1579 CA ILE B 34 8.022 -0.039 -2.894 1.00 0.00 C ATOM 1580 C ILE B 34 9.416 -0.650 -2.946 1.00 0.00 C ATOM 1581 O ILE B 34 9.962 -0.894 -4.008 1.00 0.00 O ATOM 1582 CB ILE B 34 7.000 -1.074 -3.384 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.572 -0.495 -3.292 1.00 0.00 C ATOM 1584 CG2 ILE B 34 7.099 -2.325 -2.503 1.00 0.00 C ATOM 1585 CD1 ILE B 34 5.258 0.386 -4.509 1.00 0.00 C ATOM 0 H ILE B 34 8.029 0.949 -4.782 1.00 0.00 H new ATOM 0 HA ILE B 34 7.771 0.254 -1.875 1.00 0.00 H new ATOM 0 HB ILE B 34 7.212 -1.328 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.849 -1.308 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.471 0.091 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE B 34 6.377 -3.067 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.105 -2.740 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.886 -2.059 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE B 34 4.246 0.782 -4.420 1.00 0.00 H new ATOM 0 HD12 ILE B 34 5.968 1.212 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE B 34 5.336 -0.209 -5.419 1.00 0.00 H new ATOM 1597 N LYS B 35 9.998 -0.889 -1.797 1.00 0.00 N ATOM 1598 CA LYS B 35 11.370 -1.478 -1.738 1.00 0.00 C ATOM 1599 C LYS B 35 11.336 -2.764 -0.919 1.00 0.00 C ATOM 1600 O LYS B 35 10.770 -2.819 0.160 1.00 0.00 O ATOM 1601 CB LYS B 35 12.315 -0.479 -1.069 1.00 0.00 C ATOM 1602 CG LYS B 35 12.510 0.726 -1.990 1.00 0.00 C ATOM 1603 CD LYS B 35 13.441 1.738 -1.322 1.00 0.00 C ATOM 1604 CE LYS B 35 13.611 2.949 -2.240 1.00 0.00 C ATOM 1605 NZ LYS B 35 14.329 2.530 -3.477 1.00 0.00 N ATOM 0 H LYS B 35 9.576 -0.699 -0.888 1.00 0.00 H new ATOM 0 HA LYS B 35 11.718 -1.698 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.904 -0.157 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS B 35 13.275 -0.952 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.930 0.404 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.548 1.190 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS B 35 13.030 2.050 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS B 35 14.410 1.281 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS B 35 12.637 3.367 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.170 3.732 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 13.886 2.978 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.325 2.823 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 14.278 1.496 -3.575 1.00 0.00 H new ATOM 1619 N GLY B 36 11.947 -3.796 -1.428 1.00 0.00 N ATOM 1620 CA GLY B 36 11.966 -5.091 -0.701 1.00 0.00 C ATOM 1621 C GLY B 36 12.674 -6.137 -1.560 1.00 0.00 C ATOM 1622 O GLY B 36 13.584 -5.824 -2.304 1.00 0.00 O ATOM 0 H GLY B 36 12.437 -3.796 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY B 36 12.480 -4.979 0.254 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.948 -5.413 -0.480 1.00 0.00 H new ATOM 1626 N GLU B 37 12.270 -7.380 -1.462 1.00 0.00 N ATOM 1627 CA GLU B 37 12.927 -8.453 -2.270 1.00 0.00 C ATOM 1628 C GLU B 37 11.864 -9.381 -2.859 1.00 0.00 C ATOM 1629 O GLU B 37 10.784 -9.527 -2.322 1.00 0.00 O ATOM 1630 CB GLU B 37 13.857 -9.269 -1.371 1.00 0.00 C ATOM 1631 CG GLU B 37 14.883 -8.336 -0.727 1.00 0.00 C ATOM 1632 CD GLU B 37 15.902 -9.162 0.061 1.00 0.00 C ATOM 1633 OE1 GLU B 37 16.081 -10.322 -0.274 1.00 0.00 O ATOM 1634 OE2 GLU B 37 16.504 -8.612 0.968 1.00 0.00 O ATOM 0 H GLU B 37 11.513 -7.698 -0.857 1.00 0.00 H new ATOM 0 HA GLU B 37 13.499 -7.994 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU B 37 13.280 -9.781 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU B 37 14.363 -10.038 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU B 37 15.389 -7.750 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.382 -7.629 -0.065 1.00 0.00 H new ATOM 1641 N LYS B 38 12.176 -10.008 -3.959 1.00 0.00 N ATOM 1642 CA LYS B 38 11.211 -10.938 -4.611 1.00 0.00 C ATOM 1643 C LYS B 38 9.891 -10.223 -4.905 1.00 0.00 C ATOM 1644 O LYS B 38 8.832 -10.649 -4.491 1.00 0.00 O ATOM 1645 CB LYS B 38 10.965 -12.149 -3.711 1.00 0.00 C ATOM 1646 CG LYS B 38 12.235 -12.999 -3.678 1.00 0.00 C ATOM 1647 CD LYS B 38 12.028 -14.204 -2.764 1.00 0.00 C ATOM 1648 CE LYS B 38 13.315 -15.025 -2.724 1.00 0.00 C ATOM 1649 NZ LYS B 38 13.543 -15.654 -4.054 1.00 0.00 N ATOM 0 H LYS B 38 13.070 -9.914 -4.440 1.00 0.00 H new ATOM 0 HA LYS B 38 11.637 -11.277 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.701 -11.825 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS B 38 10.127 -12.736 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.486 -13.334 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS B 38 13.074 -12.401 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS B 38 11.761 -13.874 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS B 38 11.203 -14.816 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.159 -14.386 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.246 -15.793 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 14.208 -16.447 -3.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.640 -16.005 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 13.941 -14.950 -4.708 1.00 0.00 H new ATOM 1663 N LEU B 39 9.949 -9.153 -5.652 1.00 0.00 N ATOM 1664 CA LEU B 39 8.705 -8.417 -6.019 1.00 0.00 C ATOM 1665 C LEU B 39 8.219 -8.978 -7.357 1.00 0.00 C ATOM 1666 O LEU B 39 8.300 -8.333 -8.383 1.00 0.00 O ATOM 1667 CB LEU B 39 9.018 -6.921 -6.157 1.00 0.00 C ATOM 1668 CG LEU B 39 9.047 -6.269 -4.770 1.00 0.00 C ATOM 1669 CD1 LEU B 39 10.024 -7.027 -3.872 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.501 -4.813 -4.895 1.00 0.00 C ATOM 0 H LEU B 39 10.810 -8.755 -6.026 1.00 0.00 H new ATOM 0 HA LEU B 39 7.938 -8.539 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU B 39 9.979 -6.785 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU B 39 8.266 -6.438 -6.781 1.00 0.00 H new ATOM 0 HG LEU B 39 8.048 -6.302 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU B 39 10.045 -6.564 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.703 -8.064 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU B 39 11.022 -6.994 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.521 -4.352 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.499 -4.779 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.807 -4.269 -5.536 1.00 0.00 H new ATOM 1682 N GLY B 40 7.740 -10.192 -7.349 1.00 0.00 N ATOM 1683 CA GLY B 40 7.274 -10.827 -8.617 1.00 0.00 C ATOM 1684 C GLY B 40 5.812 -10.478 -8.882 1.00 0.00 C ATOM 1685 O GLY B 40 5.112 -9.986 -8.021 1.00 0.00 O ATOM 0 H GLY B 40 7.651 -10.774 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.892 -10.488 -9.449 1.00 0.00 H new ATOM 0 HA3 GLY B 40 7.390 -11.909 -8.553 1.00 0.00 H new ATOM 1689 N LEU B 46 -2.287 -7.324 -16.699 1.00 0.00 N ATOM 1690 CA LEU B 46 -2.873 -6.769 -15.443 1.00 0.00 C ATOM 1691 C LEU B 46 -4.336 -7.215 -15.329 1.00 0.00 C ATOM 1692 O LEU B 46 -4.817 -7.562 -14.269 1.00 0.00 O ATOM 1693 CB LEU B 46 -2.807 -5.237 -15.495 1.00 0.00 C ATOM 1694 CG LEU B 46 -1.401 -4.761 -15.123 1.00 0.00 C ATOM 1695 CD1 LEU B 46 -0.382 -5.343 -16.106 1.00 0.00 C ATOM 1696 CD2 LEU B 46 -1.350 -3.232 -15.188 1.00 0.00 C ATOM 0 HA LEU B 46 -2.314 -7.131 -14.580 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -3.066 -4.887 -16.494 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -3.538 -4.810 -14.809 1.00 0.00 H new ATOM 0 HG LEU B 46 -1.162 -5.095 -14.114 1.00 0.00 H new ATOM 0 HD11 LEU B 46 0.618 -5.002 -15.838 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -0.417 -6.432 -16.065 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -0.620 -5.010 -17.116 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -0.350 -2.890 -14.923 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -1.591 -2.903 -16.199 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -2.073 -2.814 -14.488 1.00 0.00 H new ATOM 1708 N LYS B 47 -5.045 -7.201 -16.425 1.00 0.00 N ATOM 1709 CA LYS B 47 -6.476 -7.615 -16.414 1.00 0.00 C ATOM 1710 C LYS B 47 -7.282 -6.696 -15.484 1.00 0.00 C ATOM 1711 O LYS B 47 -7.043 -6.634 -14.295 1.00 0.00 O ATOM 1712 CB LYS B 47 -6.584 -9.076 -15.941 1.00 0.00 C ATOM 1713 CG LYS B 47 -7.782 -9.763 -16.608 1.00 0.00 C ATOM 1714 CD LYS B 47 -9.073 -9.033 -16.229 1.00 0.00 C ATOM 1715 CE LYS B 47 -10.282 -9.876 -16.641 1.00 0.00 C ATOM 1716 NZ LYS B 47 -10.460 -10.988 -15.668 1.00 0.00 N ATOM 0 H LYS B 47 -4.689 -6.917 -17.338 1.00 0.00 H new ATOM 0 HA LYS B 47 -6.883 -7.534 -17.422 1.00 0.00 H new ATOM 0 HB2 LYS B 47 -5.667 -9.613 -16.183 1.00 0.00 H new ATOM 0 HB3 LYS B 47 -6.695 -9.107 -14.857 1.00 0.00 H new ATOM 0 HG2 LYS B 47 -7.657 -9.762 -17.691 1.00 0.00 H new ATOM 0 HG3 LYS B 47 -7.837 -10.805 -16.294 1.00 0.00 H new ATOM 0 HD2 LYS B 47 -9.096 -8.848 -15.155 1.00 0.00 H new ATOM 0 HD3 LYS B 47 -9.110 -8.061 -16.721 1.00 0.00 H new ATOM 0 HE2 LYS B 47 -11.178 -9.257 -16.671 1.00 0.00 H new ATOM 0 HE3 LYS B 47 -10.137 -10.275 -17.645 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 -11.411 -11.394 -15.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 -9.747 -11.724 -15.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 -10.346 -10.624 -14.700 1.00 0.00 H new ATOM 1730 N ALA B 48 -8.236 -5.987 -16.033 1.00 0.00 N ATOM 1731 CA ALA B 48 -9.082 -5.065 -15.214 1.00 0.00 C ATOM 1732 C ALA B 48 -8.319 -3.762 -14.940 1.00 0.00 C ATOM 1733 O ALA B 48 -8.832 -2.850 -14.319 1.00 0.00 O ATOM 1734 CB ALA B 48 -9.469 -5.748 -13.887 1.00 0.00 C ATOM 0 H ALA B 48 -8.468 -6.008 -17.026 1.00 0.00 H new ATOM 0 HA ALA B 48 -9.992 -4.829 -15.765 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -10.085 -5.071 -13.295 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.030 -6.659 -14.097 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.566 -5.998 -13.329 1.00 0.00 H new ATOM 1740 N GLY B 49 -7.106 -3.662 -15.404 1.00 0.00 N ATOM 1741 CA GLY B 49 -6.321 -2.413 -15.175 1.00 0.00 C ATOM 1742 C GLY B 49 -5.879 -2.333 -13.713 1.00 0.00 C ATOM 1743 O GLY B 49 -5.607 -1.267 -13.196 1.00 0.00 O ATOM 0 H GLY B 49 -6.622 -4.389 -15.932 1.00 0.00 H new ATOM 0 HA2 GLY B 49 -5.449 -2.397 -15.828 1.00 0.00 H new ATOM 0 HA3 GLY B 49 -6.925 -1.542 -15.429 1.00 0.00 H new ATOM 1747 N GLN B 50 -5.798 -3.454 -13.043 1.00 0.00 N ATOM 1748 CA GLN B 50 -5.370 -3.457 -11.608 1.00 0.00 C ATOM 1749 C GLN B 50 -3.948 -4.003 -11.504 1.00 0.00 C ATOM 1750 O GLN B 50 -3.507 -4.768 -12.338 1.00 0.00 O ATOM 1751 CB GLN B 50 -6.315 -4.349 -10.802 1.00 0.00 C ATOM 1752 CG GLN B 50 -7.692 -3.686 -10.729 1.00 0.00 C ATOM 1753 CD GLN B 50 -8.665 -4.602 -9.985 1.00 0.00 C ATOM 1754 OE1 GLN B 50 -8.709 -5.791 -10.234 1.00 0.00 O ATOM 1755 NE2 GLN B 50 -9.453 -4.094 -9.078 1.00 0.00 N ATOM 0 H GLN B 50 -6.011 -4.374 -13.429 1.00 0.00 H new ATOM 0 HA GLN B 50 -5.400 -2.441 -11.215 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -6.395 -5.330 -11.269 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -5.920 -4.505 -9.798 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -7.618 -2.726 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.063 -3.484 -11.734 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -9.415 -3.096 -8.870 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.107 -4.695 -8.577 1.00 0.00 H new ATOM 1764 N VAL B 51 -3.226 -3.609 -10.484 1.00 0.00 N ATOM 1765 CA VAL B 51 -1.820 -4.091 -10.311 1.00 0.00 C ATOM 1766 C VAL B 51 -1.668 -4.713 -8.926 1.00 0.00 C ATOM 1767 O VAL B 51 -2.063 -4.146 -7.926 1.00 0.00 O ATOM 1768 CB VAL B 51 -0.855 -2.907 -10.444 1.00 0.00 C ATOM 1769 CG1 VAL B 51 0.554 -3.329 -10.007 1.00 0.00 C ATOM 1770 CG2 VAL B 51 -0.818 -2.449 -11.902 1.00 0.00 C ATOM 0 H VAL B 51 -3.552 -2.970 -9.759 1.00 0.00 H new ATOM 0 HA VAL B 51 -1.592 -4.835 -11.075 1.00 0.00 H new ATOM 0 HB VAL B 51 -1.197 -2.090 -9.808 1.00 0.00 H new ATOM 0 HG11 VAL B 51 1.234 -2.483 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL B 51 0.530 -3.657 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL B 51 0.901 -4.147 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -0.133 -1.607 -12.002 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -0.478 -3.270 -12.533 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -1.817 -2.143 -12.213 1.00 0.00 H new ATOM 1780 N GLU B 52 -1.083 -5.875 -8.865 1.00 0.00 N ATOM 1781 CA GLU B 52 -0.877 -6.547 -7.556 1.00 0.00 C ATOM 1782 C GLU B 52 0.460 -7.278 -7.613 1.00 0.00 C ATOM 1783 O GLU B 52 0.730 -8.024 -8.533 1.00 0.00 O ATOM 1784 CB GLU B 52 -2.026 -7.527 -7.291 1.00 0.00 C ATOM 1785 CG GLU B 52 -3.359 -6.778 -7.399 1.00 0.00 C ATOM 1786 CD GLU B 52 -4.505 -7.676 -6.933 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -4.227 -8.783 -6.503 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -5.641 -7.237 -7.007 1.00 0.00 O ATOM 0 H GLU B 52 -0.736 -6.391 -9.673 1.00 0.00 H new ATOM 0 HA GLU B 52 -0.865 -5.821 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -1.995 -8.346 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.922 -7.969 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -3.327 -5.873 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -3.527 -6.466 -8.430 1.00 0.00 H new ATOM 1795 N VAL B 53 1.313 -7.040 -6.648 1.00 0.00 N ATOM 1796 CA VAL B 53 2.666 -7.681 -6.641 1.00 0.00 C ATOM 1797 C VAL B 53 2.811 -8.563 -5.402 1.00 0.00 C ATOM 1798 O VAL B 53 2.060 -8.448 -4.452 1.00 0.00 O ATOM 1799 CB VAL B 53 3.734 -6.580 -6.618 1.00 0.00 C ATOM 1800 CG1 VAL B 53 5.091 -7.169 -7.012 1.00 0.00 C ATOM 1801 CG2 VAL B 53 3.353 -5.478 -7.614 1.00 0.00 C ATOM 0 H VAL B 53 1.129 -6.423 -5.857 1.00 0.00 H new ATOM 0 HA VAL B 53 2.788 -8.297 -7.532 1.00 0.00 H new ATOM 0 HB VAL B 53 3.797 -6.162 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.847 -6.384 -6.995 1.00 0.00 H new ATOM 0 HG12 VAL B 53 5.366 -7.953 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.028 -7.589 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL B 53 4.111 -4.695 -7.598 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.288 -5.900 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.388 -5.054 -7.336 1.00 0.00 H new ATOM 1811 N GLU B 54 3.771 -9.455 -5.417 1.00 0.00 N ATOM 1812 CA GLU B 54 3.984 -10.377 -4.260 1.00 0.00 C ATOM 1813 C GLU B 54 5.419 -10.222 -3.756 1.00 0.00 C ATOM 1814 O GLU B 54 6.365 -10.218 -4.528 1.00 0.00 O ATOM 1815 CB GLU B 54 3.774 -11.819 -4.731 1.00 0.00 C ATOM 1816 CG GLU B 54 2.485 -11.910 -5.556 1.00 0.00 C ATOM 1817 CD GLU B 54 2.276 -13.353 -6.017 1.00 0.00 C ATOM 1818 OE1 GLU B 54 2.120 -14.211 -5.164 1.00 0.00 O ATOM 1819 OE2 GLU B 54 2.278 -13.577 -7.216 1.00 0.00 O ATOM 0 H GLU B 54 4.423 -9.584 -6.191 1.00 0.00 H new ATOM 0 HA GLU B 54 3.283 -10.139 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU B 54 4.625 -12.144 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.716 -12.488 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU B 54 1.634 -11.581 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU B 54 2.545 -11.246 -6.419 1.00 0.00 H new ATOM 1826 N GLY B 55 5.590 -10.094 -2.468 1.00 0.00 N ATOM 1827 CA GLY B 55 6.962 -9.939 -1.912 1.00 0.00 C ATOM 1828 C GLY B 55 6.878 -9.392 -0.488 1.00 0.00 C ATOM 1829 O GLY B 55 5.808 -9.140 0.031 1.00 0.00 O ATOM 0 H GLY B 55 4.839 -10.090 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.477 -10.900 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.545 -9.264 -2.538 1.00 0.00 H new ATOM 1833 N LEU B 56 8.003 -9.202 0.149 1.00 0.00 N ATOM 1834 CA LEU B 56 8.008 -8.668 1.543 1.00 0.00 C ATOM 1835 C LEU B 56 8.242 -7.156 1.502 1.00 0.00 C ATOM 1836 O LEU B 56 9.052 -6.663 0.743 1.00 0.00 O ATOM 1837 CB LEU B 56 9.127 -9.342 2.354 1.00 0.00 C ATOM 1838 CG LEU B 56 10.421 -9.458 1.508 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.648 -9.330 2.419 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.481 -10.822 0.802 1.00 0.00 C ATOM 0 H LEU B 56 8.926 -9.395 -0.240 1.00 0.00 H new ATOM 0 HA LEU B 56 7.049 -8.878 2.017 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.327 -8.765 3.257 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.805 -10.333 2.674 1.00 0.00 H new ATOM 0 HG LEU B 56 10.416 -8.661 0.764 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.555 -9.412 1.821 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.630 -8.362 2.920 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.632 -10.125 3.165 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.396 -10.887 0.213 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.472 -11.618 1.547 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.618 -10.930 0.145 1.00 0.00 H new ATOM 1852 N ILE B 57 7.538 -6.416 2.315 1.00 0.00 N ATOM 1853 CA ILE B 57 7.716 -4.933 2.332 1.00 0.00 C ATOM 1854 C ILE B 57 8.778 -4.569 3.372 1.00 0.00 C ATOM 1855 O ILE B 57 8.615 -4.812 4.551 1.00 0.00 O ATOM 1856 CB ILE B 57 6.363 -4.279 2.686 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.495 -4.176 1.422 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.579 -2.876 3.269 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.429 -5.536 0.723 1.00 0.00 C ATOM 0 H ILE B 57 6.844 -6.775 2.971 1.00 0.00 H new ATOM 0 HA ILE B 57 8.044 -4.573 1.357 1.00 0.00 H new ATOM 0 HB ILE B 57 5.862 -4.897 3.431 1.00 0.00 H new ATOM 0 HG12 ILE B 57 4.491 -3.844 1.686 1.00 0.00 H new ATOM 0 HG13 ILE B 57 5.910 -3.429 0.745 1.00 0.00 H new ATOM 0 HG21 ILE B 57 5.614 -2.431 3.512 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.184 -2.947 4.173 1.00 0.00 H new ATOM 0 HG23 ILE B 57 7.092 -2.253 2.537 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.812 -5.456 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE B 57 6.434 -5.851 0.444 1.00 0.00 H new ATOM 0 HD13 ILE B 57 4.993 -6.272 1.399 1.00 0.00 H new ATOM 1871 N ASP B 58 9.868 -3.983 2.937 1.00 0.00 N ATOM 1872 CA ASP B 58 10.956 -3.591 3.885 1.00 0.00 C ATOM 1873 C ASP B 58 10.983 -2.064 4.043 1.00 0.00 C ATOM 1874 O ASP B 58 11.432 -1.550 5.047 1.00 0.00 O ATOM 1875 CB ASP B 58 12.297 -4.085 3.337 1.00 0.00 C ATOM 1876 CG ASP B 58 12.279 -5.617 3.286 1.00 0.00 C ATOM 1877 OD1 ASP B 58 12.310 -6.223 4.341 1.00 0.00 O ATOM 1878 OD2 ASP B 58 12.225 -6.155 2.192 1.00 0.00 O ATOM 0 H ASP B 58 10.051 -3.758 1.959 1.00 0.00 H new ATOM 0 HA ASP B 58 10.774 -4.041 4.861 1.00 0.00 H new ATOM 0 HB2 ASP B 58 12.471 -3.677 2.341 1.00 0.00 H new ATOM 0 HB3 ASP B 58 13.114 -3.739 3.970 1.00 0.00 H new ATOM 1883 N ALA B 59 10.509 -1.327 3.067 1.00 0.00 N ATOM 1884 CA ALA B 59 10.526 0.163 3.210 1.00 0.00 C ATOM 1885 C ALA B 59 9.607 0.830 2.174 1.00 0.00 C ATOM 1886 O ALA B 59 9.610 0.490 1.008 1.00 0.00 O ATOM 1887 CB ALA B 59 11.958 0.668 3.019 1.00 0.00 C ATOM 0 H ALA B 59 10.119 -1.683 2.195 1.00 0.00 H new ATOM 0 HA ALA B 59 10.163 0.420 4.205 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.978 1.753 3.122 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.605 0.220 3.773 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.312 0.391 2.026 1.00 0.00 H new ATOM 1893 N LEU B 60 8.830 1.798 2.610 1.00 0.00 N ATOM 1894 CA LEU B 60 7.900 2.537 1.687 1.00 0.00 C ATOM 1895 C LEU B 60 8.271 4.020 1.690 1.00 0.00 C ATOM 1896 O LEU B 60 8.500 4.609 2.727 1.00 0.00 O ATOM 1897 CB LEU B 60 6.437 2.377 2.168 1.00 0.00 C ATOM 1898 CG LEU B 60 5.738 1.197 1.462 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.395 1.567 0.007 1.00 0.00 C ATOM 1900 CD2 LEU B 60 6.638 -0.048 1.488 1.00 0.00 C ATOM 0 H LEU B 60 8.800 2.112 3.580 1.00 0.00 H new ATOM 0 HA LEU B 60 7.991 2.129 0.680 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.422 2.218 3.246 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.886 3.297 1.974 1.00 0.00 H new ATOM 0 HG LEU B 60 4.813 0.976 1.995 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.902 0.723 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.729 2.430 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.311 1.810 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU B 60 6.132 -0.873 0.986 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.575 0.169 0.975 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.846 -0.325 2.521 1.00 0.00 H new ATOM 1912 N VAL B 61 8.320 4.628 0.529 1.00 0.00 N ATOM 1913 CA VAL B 61 8.662 6.083 0.450 1.00 0.00 C ATOM 1914 C VAL B 61 7.663 6.803 -0.463 1.00 0.00 C ATOM 1915 O VAL B 61 7.502 6.466 -1.623 1.00 0.00 O ATOM 1916 CB VAL B 61 10.084 6.239 -0.110 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.348 7.706 -0.479 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.101 5.796 0.948 1.00 0.00 C ATOM 0 H VAL B 61 8.138 4.179 -0.368 1.00 0.00 H new ATOM 0 HA VAL B 61 8.612 6.523 1.446 1.00 0.00 H new ATOM 0 HB VAL B 61 10.183 5.620 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.359 7.805 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.630 8.026 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.243 8.329 0.409 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.110 5.906 0.551 1.00 0.00 H new ATOM 0 HG22 VAL B 61 10.992 6.414 1.839 1.00 0.00 H new ATOM 0 HG23 VAL B 61 10.925 4.752 1.207 1.00 0.00 H new ATOM 1928 N TYR B 62 7.002 7.803 0.058 1.00 0.00 N ATOM 1929 CA TYR B 62 6.028 8.583 -0.751 1.00 0.00 C ATOM 1930 C TYR B 62 6.108 10.047 -0.294 1.00 0.00 C ATOM 1931 O TYR B 62 5.995 10.320 0.885 1.00 0.00 O ATOM 1932 CB TYR B 62 4.628 8.068 -0.455 1.00 0.00 C ATOM 1933 CG TYR B 62 3.601 8.879 -1.217 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.189 10.128 -0.730 1.00 0.00 C ATOM 1935 CD2 TYR B 62 3.056 8.381 -2.407 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.237 10.874 -1.433 1.00 0.00 C ATOM 1937 CE2 TYR B 62 2.102 9.129 -3.109 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.693 10.375 -2.621 1.00 0.00 C ATOM 1939 OH TYR B 62 0.752 11.112 -3.311 1.00 0.00 O ATOM 0 H TYR B 62 7.099 8.114 1.024 1.00 0.00 H new ATOM 0 HA TYR B 62 6.247 8.490 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.552 7.017 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.429 8.128 0.615 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.607 10.514 0.188 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.371 7.419 -2.784 1.00 0.00 H new ATOM 0 HE1 TYR B 62 1.922 11.836 -1.058 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.682 8.744 -4.027 1.00 0.00 H new ATOM 0 HH TYR B 62 0.910 12.067 -3.160 1.00 0.00 H new ATOM 1949 N PRO B 63 6.276 10.995 -1.184 1.00 0.00 N ATOM 1950 CA PRO B 63 6.336 12.428 -0.789 1.00 0.00 C ATOM 1951 C PRO B 63 5.290 12.768 0.289 1.00 0.00 C ATOM 1952 O PRO B 63 4.182 13.168 -0.010 1.00 0.00 O ATOM 1953 CB PRO B 63 6.032 13.158 -2.099 1.00 0.00 C ATOM 1954 CG PRO B 63 6.571 12.261 -3.171 1.00 0.00 C ATOM 1955 CD PRO B 63 6.436 10.825 -2.641 1.00 0.00 C ATOM 0 HA PRO B 63 7.294 12.705 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO B 63 4.961 13.322 -2.221 1.00 0.00 H new ATOM 0 HB3 PRO B 63 6.509 14.138 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO B 63 6.014 12.387 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO B 63 7.612 12.498 -3.389 1.00 0.00 H new ATOM 0 HD2 PRO B 63 5.578 10.317 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO B 63 7.316 10.228 -2.879 1.00 0.00 H new ATOM 1963 N LEU B 64 5.633 12.621 1.543 1.00 0.00 N ATOM 1964 CA LEU B 64 4.655 12.944 2.622 1.00 0.00 C ATOM 1965 C LEU B 64 4.172 14.385 2.431 1.00 0.00 C ATOM 1966 O LEU B 64 3.115 14.763 2.898 1.00 0.00 O ATOM 1967 CB LEU B 64 5.335 12.750 3.998 1.00 0.00 C ATOM 1968 CG LEU B 64 4.621 13.581 5.093 1.00 0.00 C ATOM 1969 CD1 LEU B 64 4.933 12.989 6.477 1.00 0.00 C ATOM 1970 CD2 LEU B 64 5.065 15.075 5.048 1.00 0.00 C ATOM 0 H LEU B 64 6.544 12.293 1.864 1.00 0.00 H new ATOM 0 HA LEU B 64 3.791 12.281 2.576 1.00 0.00 H new ATOM 0 HB2 LEU B 64 5.319 11.694 4.270 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.382 13.048 3.935 1.00 0.00 H new ATOM 0 HG LEU B 64 3.548 13.540 4.907 1.00 0.00 H new ATOM 0 HD11 LEU B 64 4.430 13.575 7.246 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.582 11.958 6.519 1.00 0.00 H new ATOM 0 HD13 LEU B 64 6.009 13.013 6.649 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.547 15.632 5.828 1.00 0.00 H new ATOM 0 HD22 LEU B 64 6.141 15.140 5.210 1.00 0.00 H new ATOM 0 HD23 LEU B 64 4.818 15.499 4.075 1.00 0.00 H new ATOM 1982 N GLU B 65 4.934 15.183 1.725 1.00 0.00 N ATOM 1983 CA GLU B 65 4.532 16.602 1.460 1.00 0.00 C ATOM 1984 C GLU B 65 4.469 16.769 -0.062 1.00 0.00 C ATOM 1985 O GLU B 65 5.031 17.680 -0.633 1.00 0.00 O ATOM 1986 CB GLU B 65 5.577 17.559 2.091 1.00 0.00 C ATOM 1987 CG GLU B 65 4.877 18.725 2.804 1.00 0.00 C ATOM 1988 CD GLU B 65 3.877 19.380 1.856 1.00 0.00 C ATOM 1989 OE1 GLU B 65 4.309 19.888 0.838 1.00 0.00 O ATOM 1990 OE2 GLU B 65 2.699 19.367 2.165 1.00 0.00 O ATOM 0 H GLU B 65 5.828 14.910 1.316 1.00 0.00 H new ATOM 0 HA GLU B 65 3.564 16.840 1.900 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.198 17.012 2.800 1.00 0.00 H new ATOM 0 HB3 GLU B 65 6.240 17.944 1.317 1.00 0.00 H new ATOM 0 HG2 GLU B 65 4.365 18.364 3.696 1.00 0.00 H new ATOM 0 HG3 GLU B 65 5.614 19.457 3.134 1.00 0.00 H new ATOM 1997 N HIS B 66 3.790 15.861 -0.711 1.00 0.00 N ATOM 1998 CA HIS B 66 3.673 15.892 -2.197 1.00 0.00 C ATOM 1999 C HIS B 66 3.465 17.320 -2.703 1.00 0.00 C ATOM 2000 O HIS B 66 2.351 17.757 -2.899 1.00 0.00 O ATOM 2001 CB HIS B 66 2.488 15.018 -2.625 1.00 0.00 C ATOM 2002 CG HIS B 66 1.295 15.311 -1.753 1.00 0.00 C ATOM 2003 ND1 HIS B 66 1.296 16.327 -0.807 1.00 0.00 N ATOM 2004 CD2 HIS B 66 0.052 14.728 -1.674 1.00 0.00 C ATOM 2005 CE1 HIS B 66 0.090 16.325 -0.205 1.00 0.00 C ATOM 2006 NE2 HIS B 66 -0.701 15.371 -0.698 1.00 0.00 N ATOM 0 H HIS B 66 3.302 15.084 -0.264 1.00 0.00 H new ATOM 0 HA HIS B 66 4.598 15.510 -2.628 1.00 0.00 H new ATOM 0 HB2 HIS B 66 2.242 15.209 -3.669 1.00 0.00 H new ATOM 0 HB3 HIS B 66 2.756 13.964 -2.548 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -0.287 13.899 -2.277 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -0.199 17.010 0.578 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -1.658 15.158 -0.418 1.00 0.00 H new ATOM 2014 N HIS B 67 4.541 18.030 -2.939 1.00 0.00 N ATOM 2015 CA HIS B 67 4.442 19.431 -3.455 1.00 0.00 C ATOM 2016 C HIS B 67 5.831 19.903 -3.903 1.00 0.00 C ATOM 2017 O HIS B 67 5.989 21.016 -4.357 1.00 0.00 O ATOM 2018 CB HIS B 67 3.959 20.372 -2.345 1.00 0.00 C ATOM 2019 CG HIS B 67 2.487 20.193 -2.102 1.00 0.00 C ATOM 2020 ND1 HIS B 67 1.582 20.009 -3.140 1.00 0.00 N ATOM 2021 CD2 HIS B 67 1.742 20.173 -0.947 1.00 0.00 C ATOM 2022 CE1 HIS B 67 0.359 19.888 -2.592 1.00 0.00 C ATOM 2023 NE2 HIS B 67 0.403 19.980 -1.262 1.00 0.00 N ATOM 0 H HIS B 67 5.494 17.695 -2.795 1.00 0.00 H new ATOM 0 HA HIS B 67 3.738 19.447 -4.287 1.00 0.00 H new ATOM 0 HB2 HIS B 67 4.511 20.173 -1.427 1.00 0.00 H new ATOM 0 HB3 HIS B 67 4.164 21.406 -2.623 1.00 0.00 H new ATOM 0 HD2 HIS B 67 2.137 20.289 0.051 1.00 0.00 H new ATOM 0 HE1 HIS B 67 -0.547 19.735 -3.159 1.00 0.00 H new ATOM 0 HE2 HIS B 67 -0.382 19.921 -0.613 1.00 0.00 H new ATOM 2031 N HIS B 68 6.839 19.080 -3.757 1.00 0.00 N ATOM 2032 CA HIS B 68 8.223 19.501 -4.151 1.00 0.00 C ATOM 2033 C HIS B 68 8.205 20.212 -5.510 1.00 0.00 C ATOM 2034 O HIS B 68 7.873 21.375 -5.610 1.00 0.00 O ATOM 2035 CB HIS B 68 9.134 18.271 -4.238 1.00 0.00 C ATOM 2036 CG HIS B 68 10.528 18.708 -4.601 1.00 0.00 C ATOM 2037 ND1 HIS B 68 11.198 18.751 -5.799 1.00 0.00 N flip ATOM 2038 CD2 HIS B 68 11.420 19.194 -3.652 1.00 0.00 C flip ATOM 2039 CE1 HIS B 68 12.479 19.254 -5.597 1.00 0.00 C flip ATOM 2040 NE2 HIS B 68 12.564 19.505 -4.290 1.00 0.00 N flip ATOM 0 H HIS B 68 6.766 18.134 -3.382 1.00 0.00 H new ATOM 0 HA HIS B 68 8.601 20.189 -3.395 1.00 0.00 H new ATOM 0 HB2 HIS B 68 9.143 17.743 -3.285 1.00 0.00 H new ATOM 0 HB3 HIS B 68 8.753 17.574 -4.985 1.00 0.00 H new ATOM 0 HD2 HIS B 68 11.230 19.302 -2.594 1.00 0.00 H new ATOM 0 HE1 HIS B 68 13.245 19.409 -6.343 1.00 0.00 H new ATOM 0 HE2 HIS B 68 13.392 19.885 -3.831 1.00 0.00 H new ATOM 2048 N HIS B 69 8.577 19.527 -6.556 1.00 0.00 N ATOM 2049 CA HIS B 69 8.593 20.166 -7.902 1.00 0.00 C ATOM 2050 C HIS B 69 8.932 19.111 -8.958 1.00 0.00 C ATOM 2051 O HIS B 69 8.065 18.590 -9.634 1.00 0.00 O ATOM 2052 CB HIS B 69 9.658 21.269 -7.941 1.00 0.00 C ATOM 2053 CG HIS B 69 9.596 21.974 -9.268 1.00 0.00 C ATOM 2054 ND1 HIS B 69 9.791 21.309 -10.470 1.00 0.00 N ATOM 2055 CD2 HIS B 69 9.363 23.287 -9.597 1.00 0.00 C ATOM 2056 CE1 HIS B 69 9.671 22.214 -11.458 1.00 0.00 C ATOM 2057 NE2 HIS B 69 9.412 23.431 -10.978 1.00 0.00 N ATOM 0 H HIS B 69 8.871 18.551 -6.537 1.00 0.00 H new ATOM 0 HA HIS B 69 7.613 20.598 -8.106 1.00 0.00 H new ATOM 0 HB2 HIS B 69 9.492 21.979 -7.131 1.00 0.00 H new ATOM 0 HB3 HIS B 69 10.648 20.839 -7.790 1.00 0.00 H new ATOM 0 HD2 HIS B 69 9.172 24.083 -8.892 1.00 0.00 H new ATOM 0 HE1 HIS B 69 9.772 21.984 -12.508 1.00 0.00 H new ATOM 0 HE2 HIS B 69 9.278 24.289 -11.513 1.00 0.00 H new ATOM 2065 N HIS B 70 10.189 18.794 -9.102 1.00 0.00 N ATOM 2066 CA HIS B 70 10.596 17.777 -10.111 1.00 0.00 C ATOM 2067 C HIS B 70 10.218 16.381 -9.615 1.00 0.00 C ATOM 2068 O HIS B 70 10.230 16.101 -8.433 1.00 0.00 O ATOM 2069 CB HIS B 70 12.107 17.849 -10.322 1.00 0.00 C ATOM 2070 CG HIS B 70 12.508 16.950 -11.457 1.00 0.00 C ATOM 2071 ND1 HIS B 70 12.716 15.595 -11.522 1.00 0.00 N flip ATOM 2072 CD2 HIS B 70 12.749 17.433 -12.736 1.00 0.00 C flip ATOM 2073 CE1 HIS B 70 13.080 15.244 -12.816 1.00 0.00 C flip ATOM 2074 NE2 HIS B 70 13.086 16.384 -13.509 1.00 0.00 N flip ATOM 0 H HIS B 70 10.955 19.197 -8.562 1.00 0.00 H new ATOM 0 HA HIS B 70 10.085 17.977 -11.053 1.00 0.00 H new ATOM 0 HB2 HIS B 70 12.404 18.875 -10.537 1.00 0.00 H new ATOM 0 HB3 HIS B 70 12.625 17.551 -9.410 1.00 0.00 H new ATOM 0 HD2 HIS B 70 12.679 18.463 -13.053 1.00 0.00 H new ATOM 0 HE1 HIS B 70 13.310 14.255 -13.184 1.00 0.00 H new ATOM 0 HE2 HIS B 70 13.317 16.452 -14.500 1.00 0.00 H new ATOM 2082 N HIS B 71 9.885 15.503 -10.519 1.00 0.00 N ATOM 2083 CA HIS B 71 9.501 14.113 -10.124 1.00 0.00 C ATOM 2084 C HIS B 71 10.713 13.189 -10.253 1.00 0.00 C ATOM 2085 O HIS B 71 11.154 12.975 -11.369 1.00 0.00 O ATOM 2086 CB HIS B 71 8.387 13.615 -11.048 1.00 0.00 C ATOM 2087 CG HIS B 71 7.111 14.358 -10.749 1.00 0.00 C ATOM 2088 ND1 HIS B 71 6.259 14.795 -11.755 1.00 0.00 N ATOM 2089 CD2 HIS B 71 6.527 14.747 -9.568 1.00 0.00 C ATOM 2090 CE1 HIS B 71 5.220 15.415 -11.166 1.00 0.00 C ATOM 2091 NE2 HIS B 71 5.336 15.413 -9.837 1.00 0.00 N ATOM 2092 OXT HIS B 71 11.179 12.711 -9.231 1.00 0.00 O ATOM 0 H HIS B 71 9.861 15.687 -11.522 1.00 0.00 H new ATOM 0 HA HIS B 71 9.152 14.113 -9.091 1.00 0.00 H new ATOM 0 HB2 HIS B 71 8.671 13.765 -12.090 1.00 0.00 H new ATOM 0 HB3 HIS B 71 8.237 12.544 -10.909 1.00 0.00 H new ATOM 0 HD2 HIS B 71 6.930 14.564 -8.583 1.00 0.00 H new ATOM 0 HE1 HIS B 71 4.395 15.859 -11.703 1.00 0.00 H new ATOM 0 HE2 HIS B 71 4.687 15.815 -9.160 1.00 0.00 H new TER 2100 HIS B 71