USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 642 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 24 SER OG : rot -122:sc= 0.326 USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0.309 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0.435 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -161:sc= 0.876 (180deg=0.414) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0966 X(o=-0.097,f=-0.59) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.15) USER MOD Single : A 5 GLN : amide:sc= 0.238 X(o=0.24,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 135:sc= 1.39 (180deg=0.629) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= 0.22 (180deg=0.118) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= 0.339 (180deg=-0.0846) USER MOD Single : A 38 HIS : no HD1:sc=-0.00108 X(o=-0.0011,f=0) USER MOD Single : A 39 SER OG : rot -40:sc= -0.0468 USER MOD Single : A 42 THR OG1 : rot -166:sc= 0.409 USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 1.87 (180deg=1.77) USER MOD Single : A 51 LYS NZ :NH3+ 136:sc= 0.47 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 57:sc= 0.64 USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00136 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -121:sc=-0.00257 (180deg=-2.28!) USER MOD Single : A 69 HIS : no HD1:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= 1.19 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -13.815 11.721 -2.472 1.00 0.00 N ATOM 2 CA PHE A 1 -12.823 12.788 -2.722 1.00 0.00 C ATOM 3 C PHE A 1 -11.430 12.209 -3.116 1.00 0.00 C ATOM 4 O PHE A 1 -10.887 11.324 -2.445 1.00 0.00 O ATOM 5 CB PHE A 1 -12.698 13.737 -1.494 1.00 0.00 C ATOM 6 CG PHE A 1 -13.346 15.114 -1.717 1.00 0.00 C ATOM 7 CD1 PHE A 1 -12.664 16.112 -2.435 1.00 0.00 C ATOM 8 CD2 PHE A 1 -14.617 15.406 -1.199 1.00 0.00 C ATOM 9 CE1 PHE A 1 -13.239 17.369 -2.627 1.00 0.00 C ATOM 10 CE2 PHE A 1 -15.191 16.665 -1.390 1.00 0.00 C ATOM 11 CZ PHE A 1 -14.500 17.644 -2.104 1.00 0.00 C ATOM 0 H1 PHE A 1 -14.727 12.149 -2.213 1.00 0.00 H new ATOM 0 H2 PHE A 1 -13.933 11.148 -3.332 1.00 0.00 H new ATOM 0 H3 PHE A 1 -13.484 11.114 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 1 -13.187 13.369 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -13.160 13.262 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -11.643 13.874 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -11.686 15.904 -2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -15.156 14.650 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -12.706 18.128 -3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -16.169 16.880 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 1 -14.944 18.617 -2.252 1.00 0.00 H new ATOM 22 N ASN A 2 -10.817 12.808 -4.151 1.00 0.00 N ATOM 23 CA ASN A 2 -9.423 12.488 -4.569 1.00 0.00 C ATOM 24 C ASN A 2 -8.312 12.820 -3.516 1.00 0.00 C ATOM 25 O ASN A 2 -7.377 12.031 -3.360 1.00 0.00 O ATOM 26 CB ASN A 2 -9.178 13.207 -5.922 1.00 0.00 C ATOM 27 CG ASN A 2 -7.953 12.716 -6.683 1.00 0.00 C ATOM 28 OD1 ASN A 2 -7.876 11.570 -7.108 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.948 13.535 -6.879 1.00 0.00 N ATOM 0 H ASN A 2 -11.262 13.525 -4.724 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.340 11.406 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.058 13.078 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.072 14.276 -5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.119 13.214 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.996 14.493 -6.532 1.00 0.00 H new ATOM 36 N VAL A 3 -8.425 13.955 -2.805 1.00 0.00 N ATOM 37 CA VAL A 3 -7.529 14.286 -1.662 1.00 0.00 C ATOM 38 C VAL A 3 -7.713 13.300 -0.465 1.00 0.00 C ATOM 39 O VAL A 3 -8.748 13.295 0.210 1.00 0.00 O ATOM 40 CB VAL A 3 -7.624 15.804 -1.331 1.00 0.00 C ATOM 41 CG1 VAL A 3 -8.930 16.287 -0.686 1.00 0.00 C ATOM 42 CG2 VAL A 3 -6.431 16.266 -0.465 1.00 0.00 C ATOM 0 H VAL A 3 -9.129 14.668 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.489 14.124 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.601 16.268 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.871 17.360 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.765 16.077 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.082 15.768 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.527 17.331 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.423 15.707 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.500 16.087 -1.003 1.00 0.00 H new ATOM 52 N LYS A 4 -6.729 12.407 -0.267 1.00 0.00 N ATOM 53 CA LYS A 4 -6.843 11.289 0.700 1.00 0.00 C ATOM 54 C LYS A 4 -5.442 10.936 1.295 1.00 0.00 C ATOM 55 O LYS A 4 -4.537 10.511 0.567 1.00 0.00 O ATOM 56 CB LYS A 4 -7.469 10.075 -0.033 1.00 0.00 C ATOM 57 CG LYS A 4 -8.174 9.055 0.872 1.00 0.00 C ATOM 58 CD LYS A 4 -9.681 9.283 1.060 1.00 0.00 C ATOM 59 CE LYS A 4 -10.107 10.321 2.110 1.00 0.00 C ATOM 60 NZ LYS A 4 -10.536 11.607 1.486 1.00 0.00 N ATOM 0 H LYS A 4 -5.839 12.434 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.482 11.575 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.187 10.444 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.684 9.562 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.022 8.058 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.695 9.069 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.100 9.582 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.137 8.329 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.925 9.918 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.277 10.508 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.782 12.289 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.759 11.989 0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.366 11.440 0.882 1.00 0.00 H new ATOM 74 N GLN A 5 -5.296 11.082 2.619 1.00 0.00 N ATOM 75 CA GLN A 5 -4.053 10.732 3.363 1.00 0.00 C ATOM 76 C GLN A 5 -3.590 9.241 3.227 1.00 0.00 C ATOM 77 O GLN A 5 -4.347 8.348 2.834 1.00 0.00 O ATOM 78 CB GLN A 5 -4.295 11.093 4.856 1.00 0.00 C ATOM 79 CG GLN A 5 -4.197 12.600 5.189 1.00 0.00 C ATOM 80 CD GLN A 5 -2.986 12.980 6.039 1.00 0.00 C ATOM 81 OE1 GLN A 5 -2.883 12.608 7.203 1.00 0.00 O ATOM 82 NE2 GLN A 5 -2.054 13.729 5.511 1.00 0.00 N ATOM 0 H GLN A 5 -6.036 11.448 3.219 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.235 11.302 2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.284 10.736 5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.571 10.554 5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.163 13.164 4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.103 12.904 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.137 14.040 4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.244 14.003 6.067 1.00 0.00 H new ATOM 91 N LYS A 6 -2.303 9.009 3.509 1.00 0.00 N ATOM 92 CA LYS A 6 -1.635 7.719 3.215 1.00 0.00 C ATOM 93 C LYS A 6 -1.975 6.588 4.240 1.00 0.00 C ATOM 94 O LYS A 6 -2.441 6.832 5.356 1.00 0.00 O ATOM 95 CB LYS A 6 -0.106 7.927 3.109 1.00 0.00 C ATOM 96 CG LYS A 6 0.452 9.021 2.199 1.00 0.00 C ATOM 97 CD LYS A 6 0.141 9.085 0.712 1.00 0.00 C ATOM 98 CE LYS A 6 -1.270 9.470 0.270 1.00 0.00 C ATOM 99 NZ LYS A 6 -1.171 10.050 -1.096 1.00 0.00 N ATOM 0 H LYS A 6 -1.692 9.700 3.944 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.026 7.376 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.266 8.120 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.329 6.982 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.135 9.973 2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.537 8.978 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.833 9.796 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.365 8.107 0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.922 8.597 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.704 10.192 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.920 9.652 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.281 11.083 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.242 9.821 -1.504 1.00 0.00 H new ATOM 113 N SER A 7 -1.787 5.333 3.818 1.00 0.00 N ATOM 114 CA SER A 7 -2.086 4.147 4.667 1.00 0.00 C ATOM 115 C SER A 7 -0.990 3.075 4.448 1.00 0.00 C ATOM 116 O SER A 7 -0.873 2.539 3.345 1.00 0.00 O ATOM 117 CB SER A 7 -3.494 3.610 4.324 1.00 0.00 C ATOM 118 OG SER A 7 -4.496 4.556 4.697 1.00 0.00 O ATOM 0 H SER A 7 -1.428 5.099 2.892 1.00 0.00 H new ATOM 0 HA SER A 7 -2.083 4.422 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.560 3.404 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.666 2.667 4.842 1.00 0.00 H new ATOM 0 HG SER A 7 -5.381 4.201 4.471 1.00 0.00 H new ATOM 124 N GLU A 8 -0.202 2.804 5.497 1.00 0.00 N ATOM 125 CA GLU A 8 0.902 1.808 5.465 1.00 0.00 C ATOM 126 C GLU A 8 0.524 0.621 6.408 1.00 0.00 C ATOM 127 O GLU A 8 0.638 0.743 7.632 1.00 0.00 O ATOM 128 CB GLU A 8 2.231 2.493 5.899 1.00 0.00 C ATOM 129 CG GLU A 8 2.777 3.510 4.874 1.00 0.00 C ATOM 130 CD GLU A 8 4.118 4.120 5.247 1.00 0.00 C ATOM 131 OE1 GLU A 8 5.166 3.504 4.958 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.138 5.248 5.781 1.00 0.00 O ATOM 0 H GLU A 8 -0.305 3.266 6.400 1.00 0.00 H new ATOM 0 HA GLU A 8 1.048 1.418 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.072 3.001 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.985 1.725 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.873 3.017 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.048 4.312 4.752 1.00 0.00 H new ATOM 139 N ILE A 9 0.026 -0.503 5.852 1.00 0.00 N ATOM 140 CA ILE A 9 -0.497 -1.640 6.672 1.00 0.00 C ATOM 141 C ILE A 9 0.406 -2.903 6.427 1.00 0.00 C ATOM 142 O ILE A 9 0.820 -3.218 5.305 1.00 0.00 O ATOM 143 CB ILE A 9 -2.025 -1.923 6.394 1.00 0.00 C ATOM 144 CG1 ILE A 9 -2.928 -0.698 6.707 1.00 0.00 C ATOM 145 CG2 ILE A 9 -2.537 -3.145 7.200 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.332 -0.758 6.099 1.00 0.00 C ATOM 0 H ILE A 9 -0.029 -0.657 4.845 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.444 -1.373 7.727 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.092 -2.137 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.021 -0.601 7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.431 0.203 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.592 -3.308 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.967 -4.031 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.412 -2.956 8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.886 0.140 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.256 -0.821 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.855 -1.636 6.477 1.00 0.00 H new ATOM 158 N THR A 10 0.627 -3.639 7.521 1.00 0.00 N ATOM 159 CA THR A 10 1.471 -4.859 7.574 1.00 0.00 C ATOM 160 C THR A 10 0.922 -6.067 6.752 1.00 0.00 C ATOM 161 O THR A 10 -0.277 -6.184 6.476 1.00 0.00 O ATOM 162 CB THR A 10 1.618 -5.168 9.103 1.00 0.00 C ATOM 163 OG1 THR A 10 2.235 -4.070 9.774 1.00 0.00 O ATOM 164 CG2 THR A 10 2.468 -6.366 9.493 1.00 0.00 C ATOM 0 H THR A 10 0.217 -3.404 8.425 1.00 0.00 H new ATOM 0 HA THR A 10 2.433 -4.685 7.092 1.00 0.00 H new ATOM 0 HB THR A 10 0.586 -5.373 9.389 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.319 -4.275 10.729 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.484 -6.463 10.579 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.046 -7.270 9.054 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.485 -6.225 9.127 1.00 0.00 H new ATOM 172 N ALA A 11 1.842 -6.964 6.365 1.00 0.00 N ATOM 173 CA ALA A 11 1.552 -8.103 5.477 1.00 0.00 C ATOM 174 C ALA A 11 0.553 -9.164 6.013 1.00 0.00 C ATOM 175 O ALA A 11 0.787 -9.813 7.036 1.00 0.00 O ATOM 176 CB ALA A 11 2.925 -8.731 5.158 1.00 0.00 C ATOM 0 H ALA A 11 2.817 -6.920 6.662 1.00 0.00 H new ATOM 0 HA ALA A 11 1.027 -7.727 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.789 -9.588 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.558 -7.992 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.400 -9.057 6.083 1.00 0.00 H new ATOM 182 N LEU A 12 -0.546 -9.342 5.269 1.00 0.00 N ATOM 183 CA LEU A 12 -1.501 -10.451 5.484 1.00 0.00 C ATOM 184 C LEU A 12 -1.077 -11.706 4.643 1.00 0.00 C ATOM 185 O LEU A 12 -0.533 -11.607 3.537 1.00 0.00 O ATOM 186 CB LEU A 12 -2.926 -9.958 5.092 1.00 0.00 C ATOM 187 CG LEU A 12 -4.024 -10.018 6.176 1.00 0.00 C ATOM 188 CD1 LEU A 12 -4.367 -11.447 6.608 1.00 0.00 C ATOM 189 CD2 LEU A 12 -3.717 -9.142 7.396 1.00 0.00 C ATOM 0 H LEU A 12 -0.804 -8.724 4.499 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.502 -10.750 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.843 -8.925 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.263 -10.547 4.239 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.908 -9.603 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.145 -11.420 7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.724 -12.012 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.477 -11.928 7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.527 -9.229 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.784 -9.470 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.621 -8.102 7.083 1.00 0.00 H new ATOM 201 N VAL A 13 -1.401 -12.878 5.188 1.00 0.00 N ATOM 202 CA VAL A 13 -1.321 -14.182 4.475 1.00 0.00 C ATOM 203 C VAL A 13 -2.152 -14.259 3.146 1.00 0.00 C ATOM 204 O VAL A 13 -3.006 -13.416 2.870 1.00 0.00 O ATOM 205 CB VAL A 13 -1.729 -15.349 5.457 1.00 0.00 C ATOM 206 CG1 VAL A 13 -0.665 -15.609 6.539 1.00 0.00 C ATOM 207 CG2 VAL A 13 -3.114 -15.194 6.120 1.00 0.00 C ATOM 0 H VAL A 13 -1.732 -12.965 6.149 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.283 -14.290 4.161 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.796 -16.215 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.996 -16.421 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.277 -15.884 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.522 -14.706 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.301 -16.045 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.137 -14.274 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.884 -15.153 5.349 1.00 0.00 H new ATOM 217 N LYS A 14 -1.893 -15.283 2.319 1.00 0.00 N ATOM 218 CA LYS A 14 -2.664 -15.495 1.063 1.00 0.00 C ATOM 219 C LYS A 14 -4.126 -15.980 1.326 1.00 0.00 C ATOM 220 O LYS A 14 -4.351 -16.971 2.033 1.00 0.00 O ATOM 221 CB LYS A 14 -1.865 -16.515 0.217 1.00 0.00 C ATOM 222 CG LYS A 14 -2.315 -16.726 -1.241 1.00 0.00 C ATOM 223 CD LYS A 14 -2.099 -15.505 -2.149 1.00 0.00 C ATOM 224 CE LYS A 14 -2.015 -15.829 -3.657 1.00 0.00 C ATOM 225 NZ LYS A 14 -3.297 -16.357 -4.211 1.00 0.00 N ATOM 0 H LYS A 14 -1.164 -15.977 2.486 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.777 -14.550 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.821 -16.201 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.903 -17.479 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.773 -17.575 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.373 -16.988 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.915 -14.800 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.180 -15.003 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.734 -14.928 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.225 -16.561 -3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.181 -16.556 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.556 -17.233 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.049 -15.650 -4.081 1.00 0.00 H new ATOM 239 N GLU A 15 -5.088 -15.299 0.689 1.00 0.00 N ATOM 240 CA GLU A 15 -6.526 -15.660 0.776 1.00 0.00 C ATOM 241 C GLU A 15 -6.837 -16.932 -0.086 1.00 0.00 C ATOM 242 O GLU A 15 -6.906 -16.893 -1.318 1.00 0.00 O ATOM 243 CB GLU A 15 -7.384 -14.446 0.337 1.00 0.00 C ATOM 244 CG GLU A 15 -7.625 -13.364 1.409 1.00 0.00 C ATOM 245 CD GLU A 15 -6.424 -12.585 1.915 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.776 -11.874 1.114 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.133 -12.668 3.128 1.00 0.00 O ATOM 0 H GLU A 15 -4.903 -14.487 0.101 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.776 -15.909 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.902 -13.978 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.352 -14.815 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.342 -12.649 1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.099 -13.842 2.266 1.00 0.00 H new ATOM 254 N VAL A 16 -6.966 -18.060 0.619 1.00 0.00 N ATOM 255 CA VAL A 16 -7.133 -19.413 0.011 1.00 0.00 C ATOM 256 C VAL A 16 -8.483 -20.002 0.551 1.00 0.00 C ATOM 257 O VAL A 16 -8.720 -20.017 1.765 1.00 0.00 O ATOM 258 CB VAL A 16 -5.904 -20.307 0.384 1.00 0.00 C ATOM 259 CG1 VAL A 16 -6.027 -21.774 -0.079 1.00 0.00 C ATOM 260 CG2 VAL A 16 -4.570 -19.784 -0.205 1.00 0.00 C ATOM 0 H VAL A 16 -6.959 -18.075 1.639 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.173 -19.369 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.899 -20.258 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.135 -22.325 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.905 -22.228 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.128 -21.806 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.757 -20.448 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.639 -19.755 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.374 -18.780 0.173 1.00 0.00 H new ATOM 270 N THR A 17 -9.333 -20.507 -0.359 1.00 0.00 N ATOM 271 CA THR A 17 -10.666 -21.081 -0.007 1.00 0.00 C ATOM 272 C THR A 17 -10.601 -22.398 0.838 1.00 0.00 C ATOM 273 O THR A 17 -11.224 -22.376 1.903 1.00 0.00 O ATOM 274 CB THR A 17 -11.536 -21.204 -1.296 1.00 0.00 C ATOM 275 OG1 THR A 17 -11.597 -19.960 -1.993 1.00 0.00 O ATOM 276 CG2 THR A 17 -12.991 -21.587 -1.039 1.00 0.00 C ATOM 0 H THR A 17 -9.128 -20.534 -1.358 1.00 0.00 H new ATOM 0 HA THR A 17 -11.156 -20.384 0.673 1.00 0.00 H new ATOM 0 HB THR A 17 -11.043 -21.991 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.146 -20.063 -2.798 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.524 -21.651 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.029 -22.553 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.460 -20.831 -0.409 1.00 0.00 H new ATOM 284 N PRO A 18 -9.897 -23.519 0.495 1.00 0.00 N ATOM 285 CA PRO A 18 -9.683 -24.647 1.466 1.00 0.00 C ATOM 286 C PRO A 18 -8.711 -24.307 2.646 1.00 0.00 C ATOM 287 O PRO A 18 -8.001 -23.295 2.564 1.00 0.00 O ATOM 288 CB PRO A 18 -9.163 -25.762 0.522 1.00 0.00 C ATOM 289 CG PRO A 18 -8.386 -25.010 -0.580 1.00 0.00 C ATOM 290 CD PRO A 18 -9.199 -23.720 -0.792 1.00 0.00 C ATOM 0 HA PRO A 18 -10.581 -24.921 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.519 -26.462 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.985 -26.341 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.364 -24.792 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.323 -25.597 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.552 -22.876 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.905 -23.824 -1.616 1.00 0.00 H new ATOM 298 N PRO A 19 -8.622 -25.090 3.759 1.00 0.00 N ATOM 299 CA PRO A 19 -7.832 -24.679 4.974 1.00 0.00 C ATOM 300 C PRO A 19 -6.289 -24.775 4.818 1.00 0.00 C ATOM 301 O PRO A 19 -5.632 -25.710 5.284 1.00 0.00 O ATOM 302 CB PRO A 19 -8.434 -25.591 6.079 1.00 0.00 C ATOM 303 CG PRO A 19 -8.907 -26.851 5.322 1.00 0.00 C ATOM 304 CD PRO A 19 -9.468 -26.279 4.007 1.00 0.00 C ATOM 0 HA PRO A 19 -7.926 -23.617 5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.692 -25.839 6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.262 -25.101 6.591 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.086 -27.545 5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.668 -27.396 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.396 -27.000 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.520 -26.010 4.103 1.00 0.00 H new ATOM 312 N ARG A 20 -5.728 -23.752 4.155 1.00 0.00 N ATOM 313 CA ARG A 20 -4.276 -23.673 3.861 1.00 0.00 C ATOM 314 C ARG A 20 -3.805 -22.184 3.830 1.00 0.00 C ATOM 315 O ARG A 20 -4.506 -21.310 3.312 1.00 0.00 O ATOM 316 CB ARG A 20 -3.969 -24.391 2.512 1.00 0.00 C ATOM 317 CG ARG A 20 -2.633 -25.169 2.521 1.00 0.00 C ATOM 318 CD ARG A 20 -2.765 -26.509 3.267 1.00 0.00 C ATOM 319 NE ARG A 20 -1.427 -27.045 3.611 1.00 0.00 N ATOM 320 CZ ARG A 20 -1.194 -27.982 4.526 1.00 0.00 C ATOM 321 NH1 ARG A 20 -2.140 -28.611 5.182 1.00 0.00 N ATOM 322 NH2 ARG A 20 0.040 -28.294 4.789 1.00 0.00 N ATOM 0 H ARG A 20 -6.260 -22.955 3.806 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.723 -24.179 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.781 -25.081 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.945 -23.651 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.311 -25.352 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.861 -24.562 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.352 -26.370 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.302 -27.226 2.646 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.624 -26.667 3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.119 -28.390 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.896 -29.321 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.801 -27.824 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.248 -29.009 5.486 1.00 0.00 H new ATOM 336 N LYS A 21 -2.622 -21.904 4.392 1.00 0.00 N ATOM 337 CA LYS A 21 -2.058 -20.528 4.463 1.00 0.00 C ATOM 338 C LYS A 21 -0.650 -20.498 3.794 1.00 0.00 C ATOM 339 O LYS A 21 0.303 -21.088 4.311 1.00 0.00 O ATOM 340 CB LYS A 21 -2.003 -20.067 5.944 1.00 0.00 C ATOM 341 CG LYS A 21 -3.099 -19.078 6.392 1.00 0.00 C ATOM 342 CD LYS A 21 -4.555 -19.555 6.265 1.00 0.00 C ATOM 343 CE LYS A 21 -5.330 -18.851 5.132 1.00 0.00 C ATOM 344 NZ LYS A 21 -6.543 -19.639 4.775 1.00 0.00 N ATOM 0 H LYS A 21 -2.022 -22.614 4.812 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.697 -19.834 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.059 -20.951 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.032 -19.606 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.916 -18.817 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.989 -18.163 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.564 -20.631 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.070 -19.383 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.618 -17.848 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.689 -18.739 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.207 -19.035 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.269 -20.449 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.001 -19.984 5.643 1.00 0.00 H new ATOM 358 N ALA A 22 -0.529 -19.788 2.662 1.00 0.00 N ATOM 359 CA ALA A 22 0.778 -19.550 2.003 1.00 0.00 C ATOM 360 C ALA A 22 1.434 -18.192 2.434 1.00 0.00 C ATOM 361 O ALA A 22 0.698 -17.200 2.578 1.00 0.00 O ATOM 362 CB ALA A 22 0.556 -19.605 0.485 1.00 0.00 C ATOM 0 H ALA A 22 -1.320 -19.364 2.177 1.00 0.00 H new ATOM 0 HA ALA A 22 1.480 -20.323 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.502 -19.433 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.167 -20.585 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.159 -18.836 0.194 1.00 0.00 H new ATOM 368 N PRO A 23 2.781 -18.072 2.622 1.00 0.00 N ATOM 369 CA PRO A 23 3.419 -16.816 3.155 1.00 0.00 C ATOM 370 C PRO A 23 3.632 -15.696 2.097 1.00 0.00 C ATOM 371 O PRO A 23 4.754 -15.375 1.688 1.00 0.00 O ATOM 372 CB PRO A 23 4.737 -17.384 3.757 1.00 0.00 C ATOM 373 CG PRO A 23 5.104 -18.552 2.812 1.00 0.00 C ATOM 374 CD PRO A 23 3.740 -19.198 2.519 1.00 0.00 C ATOM 0 HA PRO A 23 2.796 -16.284 3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.523 -16.629 3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.593 -17.729 4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.587 -18.198 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.790 -19.254 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.718 -19.652 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.509 -19.986 3.236 1.00 0.00 H new ATOM 382 N SER A 24 2.515 -15.082 1.690 1.00 0.00 N ATOM 383 CA SER A 24 2.492 -14.062 0.617 1.00 0.00 C ATOM 384 C SER A 24 2.909 -12.663 1.123 1.00 0.00 C ATOM 385 O SER A 24 2.434 -12.177 2.155 1.00 0.00 O ATOM 386 CB SER A 24 1.071 -14.072 0.014 1.00 0.00 C ATOM 387 OG SER A 24 0.973 -13.221 -1.124 1.00 0.00 O ATOM 0 H SER A 24 1.597 -15.273 2.091 1.00 0.00 H new ATOM 0 HA SER A 24 3.228 -14.305 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.804 -15.090 -0.269 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.353 -13.753 0.770 1.00 0.00 H new ATOM 0 HG SER A 24 0.277 -12.549 -0.971 1.00 0.00 H new ATOM 393 N LYS A 25 3.807 -12.006 0.377 1.00 0.00 N ATOM 394 CA LYS A 25 4.319 -10.663 0.749 1.00 0.00 C ATOM 395 C LYS A 25 3.297 -9.559 0.350 1.00 0.00 C ATOM 396 O LYS A 25 3.237 -9.133 -0.807 1.00 0.00 O ATOM 397 CB LYS A 25 5.718 -10.433 0.119 1.00 0.00 C ATOM 398 CG LYS A 25 6.918 -10.876 0.983 1.00 0.00 C ATOM 399 CD LYS A 25 7.047 -12.396 1.169 1.00 0.00 C ATOM 400 CE LYS A 25 8.244 -12.769 2.057 1.00 0.00 C ATOM 401 NZ LYS A 25 8.303 -14.251 2.198 1.00 0.00 N ATOM 0 H LYS A 25 4.199 -12.375 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 25 4.437 -10.607 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.761 -10.965 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.826 -9.372 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.834 -10.500 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.834 -10.409 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.131 -12.786 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.156 -12.872 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.169 -12.396 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.146 -12.302 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.112 -14.511 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.423 -14.593 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.415 -14.685 1.259 1.00 0.00 H new ATOM 415 N ALA A 26 2.497 -9.119 1.330 1.00 0.00 N ATOM 416 CA ALA A 26 1.491 -8.059 1.134 1.00 0.00 C ATOM 417 C ALA A 26 2.013 -6.720 1.691 1.00 0.00 C ATOM 418 O ALA A 26 2.460 -6.638 2.838 1.00 0.00 O ATOM 419 CB ALA A 26 0.191 -8.512 1.803 1.00 0.00 C ATOM 0 H ALA A 26 2.526 -9.485 2.281 1.00 0.00 H new ATOM 0 HA ALA A 26 1.296 -7.893 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.572 -7.744 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.148 -9.442 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.366 -8.673 2.867 1.00 0.00 H new ATOM 425 N LYS A 27 1.983 -5.668 0.870 1.00 0.00 N ATOM 426 CA LYS A 27 2.300 -4.300 1.345 1.00 0.00 C ATOM 427 C LYS A 27 1.208 -3.338 0.817 1.00 0.00 C ATOM 428 O LYS A 27 1.026 -3.157 -0.394 1.00 0.00 O ATOM 429 CB LYS A 27 3.733 -3.864 0.966 1.00 0.00 C ATOM 430 CG LYS A 27 4.809 -4.364 1.961 1.00 0.00 C ATOM 431 CD LYS A 27 5.465 -5.697 1.571 1.00 0.00 C ATOM 432 CE LYS A 27 5.873 -6.573 2.773 1.00 0.00 C ATOM 433 NZ LYS A 27 7.004 -5.983 3.548 1.00 0.00 N ATOM 0 H LYS A 27 1.746 -5.725 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 27 2.290 -4.277 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.968 -4.238 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.773 -2.776 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.585 -3.604 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.354 -4.472 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.774 -6.260 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.349 -5.492 0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.014 -6.705 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.157 -7.564 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.242 -6.607 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.833 -5.881 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.726 -5.049 3.911 1.00 0.00 H new ATOM 447 N ARG A 28 0.468 -2.762 1.765 1.00 0.00 N ATOM 448 CA ARG A 28 -0.668 -1.853 1.489 1.00 0.00 C ATOM 449 C ARG A 28 -0.120 -0.435 1.775 1.00 0.00 C ATOM 450 O ARG A 28 0.104 -0.093 2.937 1.00 0.00 O ATOM 451 CB ARG A 28 -1.797 -2.231 2.476 1.00 0.00 C ATOM 452 CG ARG A 28 -2.458 -3.586 2.189 1.00 0.00 C ATOM 453 CD ARG A 28 -3.337 -4.088 3.341 1.00 0.00 C ATOM 454 NE ARG A 28 -4.004 -5.332 2.872 1.00 0.00 N ATOM 455 CZ ARG A 28 -4.554 -6.258 3.650 1.00 0.00 C ATOM 456 NH1 ARG A 28 -4.580 -6.190 4.957 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.097 -7.294 3.079 1.00 0.00 N ATOM 0 H ARG A 28 0.635 -2.909 2.761 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.061 -1.912 0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.390 -2.245 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.561 -1.454 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.065 -3.503 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.683 -4.324 1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.734 -4.285 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.076 -3.336 3.618 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.043 -5.488 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.162 -5.392 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.019 -6.935 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.092 -7.377 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.528 -8.023 3.648 1.00 0.00 H new ATOM 471 N GLU A 29 0.219 0.297 0.711 1.00 0.00 N ATOM 472 CA GLU A 29 1.076 1.504 0.812 1.00 0.00 C ATOM 473 C GLU A 29 0.597 2.512 -0.273 1.00 0.00 C ATOM 474 O GLU A 29 0.599 2.200 -1.472 1.00 0.00 O ATOM 475 CB GLU A 29 2.588 1.173 0.627 1.00 0.00 C ATOM 476 CG GLU A 29 3.237 0.494 1.851 1.00 0.00 C ATOM 477 CD GLU A 29 4.730 0.248 1.728 1.00 0.00 C ATOM 478 OE1 GLU A 29 5.500 1.219 1.572 1.00 0.00 O ATOM 479 OE2 GLU A 29 5.148 -0.925 1.791 1.00 0.00 O ATOM 0 H GLU A 29 -0.083 0.082 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 29 0.980 1.931 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.703 0.522 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.127 2.095 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.057 1.113 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.739 -0.460 2.025 1.00 0.00 H new ATOM 486 N ALA A 30 0.178 3.703 0.164 1.00 0.00 N ATOM 487 CA ALA A 30 -0.162 4.812 -0.748 1.00 0.00 C ATOM 488 C ALA A 30 1.071 5.679 -1.165 1.00 0.00 C ATOM 489 O ALA A 30 1.727 6.230 -0.277 1.00 0.00 O ATOM 490 CB ALA A 30 -1.165 5.693 0.019 1.00 0.00 C ATOM 0 H ALA A 30 0.064 3.930 1.152 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.563 4.403 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.459 6.537 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.047 5.105 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.700 6.062 0.934 1.00 0.00 H new ATOM 496 N PRO A 31 1.350 5.905 -2.475 1.00 0.00 N ATOM 497 CA PRO A 31 2.333 6.951 -2.913 1.00 0.00 C ATOM 498 C PRO A 31 1.615 8.284 -3.268 1.00 0.00 C ATOM 499 O PRO A 31 1.049 8.924 -2.376 1.00 0.00 O ATOM 500 CB PRO A 31 3.089 6.163 -4.008 1.00 0.00 C ATOM 501 CG PRO A 31 2.003 5.317 -4.699 1.00 0.00 C ATOM 502 CD PRO A 31 1.072 4.912 -3.541 1.00 0.00 C ATOM 0 HA PRO A 31 3.042 7.346 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.577 6.835 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.867 5.533 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.472 5.889 -5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.429 4.445 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.026 4.939 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.279 3.897 -3.202 1.00 0.00 H new ATOM 510 N ILE A 32 1.627 8.721 -4.534 1.00 0.00 N ATOM 511 CA ILE A 32 1.241 10.100 -4.929 1.00 0.00 C ATOM 512 C ILE A 32 0.083 10.110 -5.965 1.00 0.00 C ATOM 513 O ILE A 32 0.103 9.371 -6.955 1.00 0.00 O ATOM 514 CB ILE A 32 2.463 10.946 -5.462 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.312 10.286 -6.565 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.357 11.345 -4.270 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.258 11.245 -7.286 1.00 0.00 C ATOM 0 H ILE A 32 1.904 8.134 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 32 0.884 10.577 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 32 2.023 11.816 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.897 9.480 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.645 9.832 -7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.204 11.930 -4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.778 11.941 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.722 10.447 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.818 10.701 -8.046 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.680 12.039 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.952 11.681 -6.567 1.00 0.00 H new ATOM 529 N LYS A 33 -0.894 11.008 -5.753 1.00 0.00 N ATOM 530 CA LYS A 33 -1.964 11.273 -6.758 1.00 0.00 C ATOM 531 C LYS A 33 -1.503 11.988 -8.084 1.00 0.00 C ATOM 532 O LYS A 33 -2.158 11.830 -9.114 1.00 0.00 O ATOM 533 CB LYS A 33 -3.118 12.088 -6.126 1.00 0.00 C ATOM 534 CG LYS A 33 -4.085 11.366 -5.180 1.00 0.00 C ATOM 535 CD LYS A 33 -4.821 10.172 -5.800 1.00 0.00 C ATOM 536 CE LYS A 33 -6.066 9.679 -5.033 1.00 0.00 C ATOM 537 NZ LYS A 33 -5.848 9.496 -3.571 1.00 0.00 N ATOM 0 H LYS A 33 -0.974 11.565 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.292 10.277 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.676 12.920 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.705 12.517 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.528 11.019 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.823 12.083 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.124 10.442 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.119 9.342 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.877 10.392 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.392 8.731 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.264 8.592 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.828 9.492 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.300 10.276 -3.052 1.00 0.00 H new ATOM 551 N TYR A 34 -0.399 12.744 -8.034 1.00 0.00 N ATOM 552 CA TYR A 34 0.224 13.359 -9.232 1.00 0.00 C ATOM 553 C TYR A 34 0.843 12.373 -10.288 1.00 0.00 C ATOM 554 O TYR A 34 0.832 12.699 -11.474 1.00 0.00 O ATOM 555 CB TYR A 34 1.266 14.386 -8.709 1.00 0.00 C ATOM 556 CG TYR A 34 1.414 15.629 -9.597 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.452 16.650 -9.535 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.512 15.786 -10.453 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.584 17.798 -10.317 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.649 16.941 -11.224 1.00 0.00 C ATOM 561 CZ TYR A 34 1.687 17.947 -11.153 1.00 0.00 C ATOM 562 OH TYR A 34 1.852 19.096 -11.865 1.00 0.00 O ATOM 0 H TYR A 34 0.094 12.952 -7.166 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.570 13.828 -9.813 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.979 14.701 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.235 13.894 -8.624 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.397 16.546 -8.876 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.258 15.007 -10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.169 18.571 -10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.502 17.056 -11.877 1.00 0.00 H new ATOM 0 HH TYR A 34 2.673 19.036 -12.397 1.00 0.00 H new ATOM 572 N TRP A 35 1.357 11.203 -9.864 1.00 0.00 N ATOM 573 CA TRP A 35 1.797 10.118 -10.791 1.00 0.00 C ATOM 574 C TRP A 35 0.720 9.005 -11.020 1.00 0.00 C ATOM 575 O TRP A 35 0.547 8.595 -12.169 1.00 0.00 O ATOM 576 CB TRP A 35 3.128 9.546 -10.256 1.00 0.00 C ATOM 577 CG TRP A 35 4.121 9.013 -11.330 1.00 0.00 C ATOM 578 CD1 TRP A 35 4.930 9.828 -12.162 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.577 7.707 -11.562 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.864 9.080 -12.897 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.636 7.776 -12.510 1.00 0.00 C ATOM 582 CE3 TRP A 35 4.228 6.450 -10.978 1.00 0.00 C ATOM 583 CZ2 TRP A 35 6.349 6.596 -12.870 1.00 0.00 C ATOM 584 CZ3 TRP A 35 4.932 5.311 -11.358 1.00 0.00 C ATOM 585 CH2 TRP A 35 5.982 5.383 -12.292 1.00 0.00 C ATOM 0 H TRP A 35 1.483 10.974 -8.878 1.00 0.00 H new ATOM 0 HA TRP A 35 1.943 10.547 -11.783 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.630 10.324 -9.680 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.900 8.734 -9.565 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.838 10.902 -12.223 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.554 9.423 -13.565 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.430 6.385 -10.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.161 6.641 -13.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.668 4.356 -10.929 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.512 4.483 -12.565 1.00 0.00 H new ATOM 596 N LEU A 36 0.026 8.505 -9.974 1.00 0.00 N ATOM 597 CA LEU A 36 -1.001 7.442 -10.121 1.00 0.00 C ATOM 598 C LEU A 36 -2.423 7.975 -9.723 1.00 0.00 C ATOM 599 O LEU A 36 -2.537 8.536 -8.628 1.00 0.00 O ATOM 600 CB LEU A 36 -0.685 6.232 -9.196 1.00 0.00 C ATOM 601 CG LEU A 36 0.670 5.528 -9.401 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.826 4.422 -8.342 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.840 4.926 -10.797 1.00 0.00 C ATOM 0 H LEU A 36 0.157 8.820 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.989 7.136 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.736 6.574 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.474 5.491 -9.326 1.00 0.00 H new ATOM 0 HG LEU A 36 1.444 6.288 -9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.783 3.918 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.789 4.864 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.017 3.699 -8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.816 4.447 -10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.059 4.186 -10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.766 5.715 -11.545 1.00 0.00 H new ATOM 615 N PRO A 37 -3.536 7.764 -10.479 1.00 0.00 N ATOM 616 CA PRO A 37 -4.899 8.227 -10.041 1.00 0.00 C ATOM 617 C PRO A 37 -5.482 7.629 -8.730 1.00 0.00 C ATOM 618 O PRO A 37 -6.263 8.310 -8.064 1.00 0.00 O ATOM 619 CB PRO A 37 -5.766 7.963 -11.298 1.00 0.00 C ATOM 620 CG PRO A 37 -5.046 6.821 -12.045 1.00 0.00 C ATOM 621 CD PRO A 37 -3.551 7.103 -11.802 1.00 0.00 C ATOM 0 HA PRO A 37 -4.864 9.270 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.782 7.677 -11.024 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.842 8.855 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.336 5.845 -11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.286 6.826 -13.108 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.964 6.184 -11.799 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.132 7.745 -12.577 1.00 0.00 H new ATOM 629 N HIS A 38 -5.098 6.400 -8.342 1.00 0.00 N ATOM 630 CA HIS A 38 -5.492 5.797 -7.050 1.00 0.00 C ATOM 631 C HIS A 38 -4.241 5.548 -6.152 1.00 0.00 C ATOM 632 O HIS A 38 -3.557 4.530 -6.295 1.00 0.00 O ATOM 633 CB HIS A 38 -6.290 4.510 -7.379 1.00 0.00 C ATOM 634 CG HIS A 38 -7.100 3.972 -6.186 1.00 0.00 C ATOM 635 ND1 HIS A 38 -8.480 4.053 -6.111 1.00 0.00 N ATOM 636 CD2 HIS A 38 -6.595 3.403 -4.994 1.00 0.00 C ATOM 637 CE1 HIS A 38 -8.707 3.512 -4.872 1.00 0.00 C ATOM 638 NE2 HIS A 38 -7.630 3.101 -4.130 1.00 0.00 N ATOM 0 H HIS A 38 -4.507 5.795 -8.912 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.126 6.464 -6.466 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.969 4.714 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.598 3.738 -7.716 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.549 3.229 -4.788 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.712 3.412 -4.489 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.601 2.687 -3.198 1.00 0.00 H new ATOM 647 N SER A 39 -4.008 6.434 -5.171 1.00 0.00 N ATOM 648 CA SER A 39 -2.964 6.224 -4.134 1.00 0.00 C ATOM 649 C SER A 39 -3.501 5.328 -2.971 1.00 0.00 C ATOM 650 O SER A 39 -4.355 5.762 -2.192 1.00 0.00 O ATOM 651 CB SER A 39 -2.480 7.583 -3.554 1.00 0.00 C ATOM 652 OG SER A 39 -2.155 8.526 -4.564 1.00 0.00 O ATOM 0 H SER A 39 -4.525 7.307 -5.067 1.00 0.00 H new ATOM 0 HA SER A 39 -2.125 5.719 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.258 7.997 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.606 7.414 -2.926 1.00 0.00 H new ATOM 0 HG SER A 39 -1.690 8.072 -5.298 1.00 0.00 H new ATOM 658 N GLY A 40 -3.003 4.090 -2.888 1.00 0.00 N ATOM 659 CA GLY A 40 -3.417 3.119 -1.849 1.00 0.00 C ATOM 660 C GLY A 40 -3.861 1.784 -2.456 1.00 0.00 C ATOM 661 O GLY A 40 -5.046 1.612 -2.751 1.00 0.00 O ATOM 0 H GLY A 40 -2.303 3.726 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.588 2.947 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.234 3.541 -1.263 1.00 0.00 H new ATOM 665 N ALA A 41 -2.902 0.870 -2.654 1.00 0.00 N ATOM 666 CA ALA A 41 -3.145 -0.419 -3.342 1.00 0.00 C ATOM 667 C ALA A 41 -2.619 -1.633 -2.520 1.00 0.00 C ATOM 668 O ALA A 41 -1.479 -1.627 -2.037 1.00 0.00 O ATOM 669 CB ALA A 41 -2.459 -0.339 -4.719 1.00 0.00 C ATOM 0 H ALA A 41 -1.938 0.996 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.217 -0.581 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.616 -1.273 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.885 0.486 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.390 -0.173 -4.584 1.00 0.00 H new ATOM 675 N THR A 42 -3.450 -2.678 -2.404 1.00 0.00 N ATOM 676 CA THR A 42 -3.082 -3.953 -1.726 1.00 0.00 C ATOM 677 C THR A 42 -2.476 -4.977 -2.725 1.00 0.00 C ATOM 678 O THR A 42 -3.204 -5.697 -3.411 1.00 0.00 O ATOM 679 CB THR A 42 -4.303 -4.482 -0.912 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.928 -5.634 -0.161 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.575 -4.860 -1.657 1.00 0.00 C ATOM 0 H THR A 42 -4.400 -2.674 -2.774 1.00 0.00 H new ATOM 0 HA THR A 42 -2.283 -3.775 -1.006 1.00 0.00 H new ATOM 0 HB THR A 42 -4.560 -3.604 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.733 -6.087 0.166 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.324 -5.208 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.957 -3.989 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.356 -5.654 -2.371 1.00 0.00 H new ATOM 689 N TRP A 43 -1.139 -5.053 -2.800 1.00 0.00 N ATOM 690 CA TRP A 43 -0.451 -6.052 -3.673 1.00 0.00 C ATOM 691 C TRP A 43 0.042 -7.228 -2.782 1.00 0.00 C ATOM 692 O TRP A 43 1.051 -7.089 -2.087 1.00 0.00 O ATOM 693 CB TRP A 43 0.684 -5.325 -4.424 1.00 0.00 C ATOM 694 CG TRP A 43 1.355 -6.111 -5.610 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.502 -7.525 -5.771 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.034 -5.573 -6.717 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.220 -7.861 -6.924 1.00 0.00 N ATOM 698 CE2 TRP A 43 2.563 -6.651 -7.478 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.292 -4.223 -7.130 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.385 -6.393 -8.610 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.101 -4.000 -8.241 1.00 0.00 C ATOM 702 CH2 TRP A 43 3.649 -5.074 -8.967 1.00 0.00 C ATOM 0 H TRP A 43 -0.506 -4.447 -2.278 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.114 -6.482 -4.424 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.289 -4.388 -4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.460 -5.067 -3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.103 -8.252 -5.079 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.439 -8.794 -7.274 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.865 -3.393 -6.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.798 -7.209 -9.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.311 -2.987 -8.551 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.285 -4.871 -9.816 1.00 0.00 H new ATOM 713 N SER A 44 -0.670 -8.365 -2.828 1.00 0.00 N ATOM 714 CA SER A 44 -0.287 -9.592 -2.085 1.00 0.00 C ATOM 715 C SER A 44 0.415 -10.613 -3.020 1.00 0.00 C ATOM 716 O SER A 44 -0.229 -11.296 -3.822 1.00 0.00 O ATOM 717 CB SER A 44 -1.562 -10.157 -1.414 1.00 0.00 C ATOM 718 OG SER A 44 -1.231 -11.188 -0.483 1.00 0.00 O ATOM 0 H SER A 44 -1.524 -8.467 -3.376 1.00 0.00 H new ATOM 0 HA SER A 44 0.443 -9.364 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.094 -9.356 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.235 -10.551 -2.176 1.00 0.00 H new ATOM 0 HG SER A 44 -2.051 -11.530 -0.069 1.00 0.00 H new ATOM 724 N GLY A 45 1.749 -10.688 -2.917 1.00 0.00 N ATOM 725 CA GLY A 45 2.564 -11.586 -3.770 1.00 0.00 C ATOM 726 C GLY A 45 4.005 -11.088 -3.912 1.00 0.00 C ATOM 727 O GLY A 45 4.888 -11.530 -3.175 1.00 0.00 O ATOM 0 H GLY A 45 2.294 -10.139 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.567 -12.589 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.107 -11.662 -4.757 1.00 0.00 H new ATOM 731 N ARG A 46 4.219 -10.137 -4.835 1.00 0.00 N ATOM 732 CA ARG A 46 5.469 -9.331 -4.861 1.00 0.00 C ATOM 733 C ARG A 46 5.410 -8.208 -3.789 1.00 0.00 C ATOM 734 O ARG A 46 4.443 -7.441 -3.707 1.00 0.00 O ATOM 735 CB ARG A 46 5.677 -8.794 -6.300 1.00 0.00 C ATOM 736 CG ARG A 46 6.951 -7.953 -6.543 1.00 0.00 C ATOM 737 CD ARG A 46 6.719 -6.439 -6.412 1.00 0.00 C ATOM 738 NE ARG A 46 8.004 -5.696 -6.467 1.00 0.00 N ATOM 739 CZ ARG A 46 8.555 -5.172 -7.560 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.036 -5.270 -8.758 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.679 -4.531 -7.433 1.00 0.00 N ATOM 0 H ARG A 46 3.554 -9.902 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 46 6.333 -9.944 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.693 -9.644 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.811 -8.188 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.719 -8.258 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.335 -8.169 -7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.063 -6.098 -7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.211 -6.225 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 46 8.509 -5.577 -5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.158 -5.771 -8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.509 -4.845 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.114 -4.441 -6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.126 -4.118 -8.252 1.00 0.00 H new ATOM 755 N GLY A 47 6.495 -8.086 -3.011 1.00 0.00 N ATOM 756 CA GLY A 47 6.613 -7.026 -1.990 1.00 0.00 C ATOM 757 C GLY A 47 6.931 -5.642 -2.567 1.00 0.00 C ATOM 758 O GLY A 47 8.099 -5.319 -2.794 1.00 0.00 O ATOM 0 H GLY A 47 7.304 -8.705 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.680 -6.970 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.394 -7.302 -1.282 1.00 0.00 H new ATOM 762 N LYS A 48 5.884 -4.839 -2.797 1.00 0.00 N ATOM 763 CA LYS A 48 6.048 -3.444 -3.282 1.00 0.00 C ATOM 764 C LYS A 48 6.142 -2.430 -2.109 1.00 0.00 C ATOM 765 O LYS A 48 5.124 -2.032 -1.536 1.00 0.00 O ATOM 766 CB LYS A 48 4.979 -3.122 -4.354 1.00 0.00 C ATOM 767 CG LYS A 48 3.519 -2.903 -3.911 1.00 0.00 C ATOM 768 CD LYS A 48 3.072 -1.437 -4.038 1.00 0.00 C ATOM 769 CE LYS A 48 1.573 -1.201 -3.788 1.00 0.00 C ATOM 770 NZ LYS A 48 1.235 -1.124 -2.342 1.00 0.00 N ATOM 0 H LYS A 48 4.914 -5.121 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 48 7.009 -3.343 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.301 -2.224 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.984 -3.936 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.863 -3.532 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.406 -3.224 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.644 -0.834 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.321 -1.080 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.269 -0.276 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.001 -2.007 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.202 -1.083 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.604 -1.965 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.662 -0.270 -1.931 1.00 0.00 H new ATOM 784 N ILE A 49 7.369 -2.004 -1.771 1.00 0.00 N ATOM 785 CA ILE A 49 7.599 -0.949 -0.752 1.00 0.00 C ATOM 786 C ILE A 49 8.005 0.354 -1.538 1.00 0.00 C ATOM 787 O ILE A 49 9.200 0.506 -1.823 1.00 0.00 O ATOM 788 CB ILE A 49 8.691 -1.323 0.326 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.499 -2.678 1.058 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.682 -0.239 1.452 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.028 -3.904 0.321 1.00 0.00 C ATOM 0 H ILE A 49 8.225 -2.371 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 49 6.685 -0.811 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 49 9.615 -1.387 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.991 -2.619 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.435 -2.821 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.433 -0.487 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.909 0.736 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.698 -0.208 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.843 -4.796 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.520 -3.999 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.100 -3.794 0.155 1.00 0.00 H new ATOM 803 N PRO A 50 7.121 1.339 -1.863 1.00 0.00 N ATOM 804 CA PRO A 50 7.562 2.646 -2.469 1.00 0.00 C ATOM 805 C PRO A 50 8.196 3.680 -1.493 1.00 0.00 C ATOM 806 O PRO A 50 7.962 4.883 -1.603 1.00 0.00 O ATOM 807 CB PRO A 50 6.247 3.124 -3.146 1.00 0.00 C ATOM 808 CG PRO A 50 5.134 2.589 -2.215 1.00 0.00 C ATOM 809 CD PRO A 50 5.654 1.197 -1.815 1.00 0.00 C ATOM 0 HA PRO A 50 8.403 2.526 -3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.212 4.210 -3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.149 2.725 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.992 3.231 -1.346 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.174 2.529 -2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.312 0.914 -0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.304 0.427 -2.503 1.00 0.00 H new ATOM 817 N LYS A 51 9.105 3.205 -0.630 1.00 0.00 N ATOM 818 CA LYS A 51 10.032 4.060 0.144 1.00 0.00 C ATOM 819 C LYS A 51 11.117 4.746 -0.752 1.00 0.00 C ATOM 820 O LYS A 51 11.129 5.975 -0.701 1.00 0.00 O ATOM 821 CB LYS A 51 10.617 3.293 1.355 1.00 0.00 C ATOM 822 CG LYS A 51 10.122 3.774 2.737 1.00 0.00 C ATOM 823 CD LYS A 51 8.885 3.085 3.319 1.00 0.00 C ATOM 824 CE LYS A 51 7.506 3.357 2.695 1.00 0.00 C ATOM 825 NZ LYS A 51 6.976 4.725 2.971 1.00 0.00 N ATOM 0 H LYS A 51 9.223 2.209 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 51 9.453 4.888 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.374 2.236 1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.704 3.375 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.940 3.656 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.912 4.841 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.058 2.010 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.826 3.355 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.572 3.214 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.796 2.620 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.573 5.124 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.237 4.670 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.748 5.335 3.306 1.00 0.00 H new ATOM 839 N PRO A 52 11.969 4.108 -1.611 1.00 0.00 N ATOM 840 CA PRO A 52 12.807 4.861 -2.611 1.00 0.00 C ATOM 841 C PRO A 52 12.068 5.718 -3.679 1.00 0.00 C ATOM 842 O PRO A 52 12.613 6.745 -4.090 1.00 0.00 O ATOM 843 CB PRO A 52 13.699 3.745 -3.214 1.00 0.00 C ATOM 844 CG PRO A 52 12.866 2.455 -3.057 1.00 0.00 C ATOM 845 CD PRO A 52 12.144 2.644 -1.710 1.00 0.00 C ATOM 0 HA PRO A 52 13.354 5.664 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.929 3.944 -4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.650 3.669 -2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.158 2.334 -3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.500 1.568 -3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.186 2.124 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.734 2.254 -0.881 1.00 0.00 H new ATOM 853 N PHE A 53 10.834 5.347 -4.079 1.00 0.00 N ATOM 854 CA PHE A 53 9.961 6.229 -4.899 1.00 0.00 C ATOM 855 C PHE A 53 9.459 7.470 -4.115 1.00 0.00 C ATOM 856 O PHE A 53 9.843 8.572 -4.502 1.00 0.00 O ATOM 857 CB PHE A 53 8.845 5.372 -5.537 1.00 0.00 C ATOM 858 CG PHE A 53 7.880 6.152 -6.454 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.278 6.587 -7.730 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.589 6.475 -6.006 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.397 7.300 -8.545 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.709 7.187 -6.821 1.00 0.00 C ATOM 863 CZ PHE A 53 6.112 7.595 -8.090 1.00 0.00 C ATOM 0 H PHE A 53 10.415 4.445 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 53 10.540 6.668 -5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.306 4.571 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.268 4.900 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.275 6.368 -8.083 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.274 6.169 -5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.710 7.623 -9.527 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.716 7.422 -6.468 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.428 8.141 -8.723 1.00 0.00 H new ATOM 873 N GLU A 54 8.665 7.321 -3.034 1.00 0.00 N ATOM 874 CA GLU A 54 8.217 8.484 -2.204 1.00 0.00 C ATOM 875 C GLU A 54 9.352 9.352 -1.546 1.00 0.00 C ATOM 876 O GLU A 54 9.146 10.553 -1.350 1.00 0.00 O ATOM 877 CB GLU A 54 7.166 7.983 -1.175 1.00 0.00 C ATOM 878 CG GLU A 54 6.333 9.112 -0.533 1.00 0.00 C ATOM 879 CD GLU A 54 5.259 8.696 0.462 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.477 7.751 1.253 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.199 9.368 0.490 1.00 0.00 O ATOM 0 H GLU A 54 8.318 6.419 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 54 7.767 9.200 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.492 7.284 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.678 7.430 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.018 9.793 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.854 9.677 -1.333 1.00 0.00 H new ATOM 888 N ALA A 55 10.533 8.766 -1.277 1.00 0.00 N ATOM 889 CA ALA A 55 11.763 9.508 -0.948 1.00 0.00 C ATOM 890 C ALA A 55 12.327 10.374 -2.101 1.00 0.00 C ATOM 891 O ALA A 55 12.480 11.570 -1.877 1.00 0.00 O ATOM 892 CB ALA A 55 12.824 8.508 -0.473 1.00 0.00 C ATOM 0 H ALA A 55 10.661 7.754 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 55 11.499 10.218 -0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.742 9.041 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.460 7.983 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.026 7.788 -1.266 1.00 0.00 H new ATOM 898 N TRP A 56 12.613 9.846 -3.310 1.00 0.00 N ATOM 899 CA TRP A 56 13.035 10.709 -4.456 1.00 0.00 C ATOM 900 C TRP A 56 11.917 11.649 -5.023 1.00 0.00 C ATOM 901 O TRP A 56 12.204 12.813 -5.310 1.00 0.00 O ATOM 902 CB TRP A 56 13.727 9.851 -5.535 1.00 0.00 C ATOM 903 CG TRP A 56 14.729 10.711 -6.384 1.00 0.00 C ATOM 904 CD1 TRP A 56 16.004 11.167 -5.949 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.564 11.277 -7.654 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.624 11.995 -6.896 1.00 0.00 N ATOM 907 CE2 TRP A 56 15.722 12.053 -7.940 1.00 0.00 C ATOM 908 CE3 TRP A 56 13.490 11.221 -8.598 1.00 0.00 C ATOM 909 CZ2 TRP A 56 15.810 12.776 -9.164 1.00 0.00 C ATOM 910 CZ3 TRP A 56 13.608 11.930 -9.790 1.00 0.00 C ATOM 911 CH2 TRP A 56 14.754 12.700 -10.070 1.00 0.00 C ATOM 0 H TRP A 56 12.564 8.850 -3.525 1.00 0.00 H new ATOM 0 HA TRP A 56 13.763 11.419 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.261 9.027 -5.062 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.976 9.410 -6.190 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.444 10.906 -4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.534 12.451 -6.829 1.00 0.00 H new ATOM 0 HE3 TRP A 56 12.604 10.639 -8.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 16.682 13.374 -9.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 12.807 11.889 -10.513 1.00 0.00 H new ATOM 0 HH2 TRP A 56 14.815 13.241 -11.003 1.00 0.00 H new ATOM 922 N ILE A 57 10.647 11.207 -5.043 1.00 0.00 N ATOM 923 CA ILE A 57 9.461 12.124 -5.107 1.00 0.00 C ATOM 924 C ILE A 57 9.310 13.155 -3.912 1.00 0.00 C ATOM 925 O ILE A 57 8.442 14.030 -3.994 1.00 0.00 O ATOM 926 CB ILE A 57 8.214 11.225 -5.381 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.182 10.592 -6.803 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.835 11.797 -5.056 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.049 11.544 -7.985 1.00 0.00 C ATOM 0 H ILE A 57 10.400 10.218 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 57 9.597 12.831 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 57 8.391 10.452 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.096 10.014 -6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.351 9.888 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.069 11.060 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.783 12.039 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.668 12.700 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.040 10.973 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.120 12.107 -7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.892 12.235 -7.993 1.00 0.00 H new ATOM 941 N GLY A 58 10.127 13.118 -2.848 1.00 0.00 N ATOM 942 CA GLY A 58 10.208 14.207 -1.847 1.00 0.00 C ATOM 943 C GLY A 58 11.596 14.679 -1.365 1.00 0.00 C ATOM 944 O GLY A 58 11.646 15.377 -0.353 1.00 0.00 O ATOM 0 H GLY A 58 10.752 12.336 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.691 15.073 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.645 13.889 -0.969 1.00 0.00 H new ATOM 948 N THR A 59 12.681 14.412 -2.105 1.00 0.00 N ATOM 949 CA THR A 59 14.007 15.055 -1.867 1.00 0.00 C ATOM 950 C THR A 59 14.038 16.531 -2.395 1.00 0.00 C ATOM 951 O THR A 59 14.373 17.442 -1.638 1.00 0.00 O ATOM 952 CB THR A 59 15.120 14.165 -2.500 1.00 0.00 C ATOM 953 OG1 THR A 59 15.092 12.859 -1.933 1.00 0.00 O ATOM 954 CG2 THR A 59 16.542 14.668 -2.273 1.00 0.00 C ATOM 0 H THR A 59 12.679 13.752 -2.882 1.00 0.00 H new ATOM 0 HA THR A 59 14.191 15.126 -0.795 1.00 0.00 H new ATOM 0 HB THR A 59 14.897 14.184 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.202 12.467 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.249 13.987 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.649 15.663 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.745 14.714 -1.203 1.00 0.00 H new ATOM 962 N ALA A 60 13.678 16.723 -3.675 1.00 0.00 N ATOM 963 CA ALA A 60 13.511 18.061 -4.292 1.00 0.00 C ATOM 964 C ALA A 60 12.038 18.439 -4.653 1.00 0.00 C ATOM 965 O ALA A 60 11.638 19.586 -4.445 1.00 0.00 O ATOM 966 CB ALA A 60 14.431 18.108 -5.523 1.00 0.00 C ATOM 0 H ALA A 60 13.492 15.954 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 60 13.788 18.815 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.339 19.079 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.464 17.955 -5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.143 17.323 -6.223 1.00 0.00 H new ATOM 972 N ALA A 61 11.237 17.484 -5.159 1.00 0.00 N ATOM 973 CA ALA A 61 9.811 17.701 -5.495 1.00 0.00 C ATOM 974 C ALA A 61 8.825 18.080 -4.353 1.00 0.00 C ATOM 975 O ALA A 61 7.818 18.722 -4.647 1.00 0.00 O ATOM 976 CB ALA A 61 9.336 16.419 -6.197 1.00 0.00 C ATOM 0 H ALA A 61 11.558 16.535 -5.349 1.00 0.00 H new ATOM 0 HA ALA A 61 9.787 18.600 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.286 16.521 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.930 16.255 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.455 15.570 -5.524 1.00 0.00 H new ATOM 982 N TYR A 62 9.128 17.724 -3.094 1.00 0.00 N ATOM 983 CA TYR A 62 8.348 18.140 -1.892 1.00 0.00 C ATOM 984 C TYR A 62 7.880 19.621 -1.833 1.00 0.00 C ATOM 985 O TYR A 62 6.694 19.850 -1.603 1.00 0.00 O ATOM 986 CB TYR A 62 9.166 17.739 -0.643 1.00 0.00 C ATOM 987 CG TYR A 62 8.451 17.853 0.709 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.415 16.972 1.042 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.853 18.813 1.654 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.812 17.030 2.297 1.00 0.00 C ATOM 991 CE2 TYR A 62 8.235 18.878 2.906 1.00 0.00 C ATOM 992 CZ TYR A 62 7.218 17.985 3.228 1.00 0.00 C ATOM 993 OH TYR A 62 6.577 18.069 4.426 1.00 0.00 O ATOM 0 H TYR A 62 9.928 17.133 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 62 7.395 17.614 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.496 16.708 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.062 18.359 -0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.080 16.241 0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.645 19.505 1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.027 16.332 2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.547 19.622 3.624 1.00 0.00 H new ATOM 0 HH TYR A 62 6.979 18.783 4.963 1.00 0.00 H new ATOM 1003 N THR A 63 8.764 20.594 -2.090 1.00 0.00 N ATOM 1004 CA THR A 63 8.361 22.031 -2.149 1.00 0.00 C ATOM 1005 C THR A 63 7.321 22.419 -3.252 1.00 0.00 C ATOM 1006 O THR A 63 6.413 23.206 -2.971 1.00 0.00 O ATOM 1007 CB THR A 63 9.627 22.919 -2.097 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.251 24.257 -1.786 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.496 22.972 -3.350 1.00 0.00 C ATOM 0 H THR A 63 9.756 20.429 -2.261 1.00 0.00 H new ATOM 0 HA THR A 63 7.764 22.229 -1.259 1.00 0.00 H new ATOM 0 HB THR A 63 10.241 22.440 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.051 24.822 -1.751 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.347 23.630 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.854 21.970 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.908 23.354 -4.185 1.00 0.00 H new ATOM 1017 N ALA A 64 7.391 21.810 -4.454 1.00 0.00 N ATOM 1018 CA ALA A 64 6.275 21.877 -5.437 1.00 0.00 C ATOM 1019 C ALA A 64 5.011 21.032 -5.067 1.00 0.00 C ATOM 1020 O ALA A 64 3.885 21.502 -5.248 1.00 0.00 O ATOM 1021 CB ALA A 64 6.849 21.463 -6.801 1.00 0.00 C ATOM 0 H ALA A 64 8.197 21.270 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 64 5.898 22.899 -5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.061 21.498 -7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.650 22.147 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.244 20.449 -6.737 1.00 0.00 H new ATOM 1027 N TRP A 65 5.207 19.816 -4.539 1.00 0.00 N ATOM 1028 CA TRP A 65 4.129 18.939 -4.033 1.00 0.00 C ATOM 1029 C TRP A 65 3.236 19.535 -2.901 1.00 0.00 C ATOM 1030 O TRP A 65 2.011 19.469 -3.015 1.00 0.00 O ATOM 1031 CB TRP A 65 4.789 17.589 -3.616 1.00 0.00 C ATOM 1032 CG TRP A 65 3.937 16.368 -4.069 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.194 15.580 -5.215 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.726 15.882 -3.559 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.182 14.639 -5.446 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.276 14.851 -4.427 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.931 16.267 -2.433 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.024 14.220 -4.190 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.727 15.609 -2.209 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.271 14.607 -3.087 1.00 0.00 C ATOM 0 H TRP A 65 6.135 19.402 -4.448 1.00 0.00 H new ATOM 0 HA TRP A 65 3.410 18.803 -4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.785 17.520 -4.054 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.914 17.564 -2.533 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.068 15.691 -5.839 1.00 0.00 H new ATOM 0 HE1 TRP A 65 3.127 13.952 -6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.260 17.054 -1.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.663 13.451 -4.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.131 15.871 -1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.680 14.131 -2.900 1.00 0.00 H new ATOM 1051 N LYS A 66 3.844 20.119 -1.858 1.00 0.00 N ATOM 1052 CA LYS A 66 3.116 20.828 -0.773 1.00 0.00 C ATOM 1053 C LYS A 66 2.325 22.119 -1.194 1.00 0.00 C ATOM 1054 O LYS A 66 1.283 22.393 -0.597 1.00 0.00 O ATOM 1055 CB LYS A 66 4.102 21.165 0.374 1.00 0.00 C ATOM 1056 CG LYS A 66 4.817 19.999 1.074 1.00 0.00 C ATOM 1057 CD LYS A 66 3.956 19.075 1.943 1.00 0.00 C ATOM 1058 CE LYS A 66 3.560 17.765 1.243 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.947 16.859 2.257 1.00 0.00 N ATOM 0 H LYS A 66 4.857 20.118 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 66 2.343 20.130 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.865 21.833 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.554 21.725 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.301 19.391 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.607 20.413 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.500 18.839 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.052 19.607 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.855 17.964 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.435 17.295 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.494 15.976 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.952 17.325 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.967 16.644 1.983 1.00 0.00 H new ATOM 1073 N ALA A 67 2.776 22.863 -2.221 1.00 0.00 N ATOM 1074 CA ALA A 67 1.920 23.853 -2.920 1.00 0.00 C ATOM 1075 C ALA A 67 0.717 23.271 -3.732 1.00 0.00 C ATOM 1076 O ALA A 67 -0.365 23.858 -3.685 1.00 0.00 O ATOM 1077 CB ALA A 67 2.844 24.702 -3.808 1.00 0.00 C ATOM 0 H ALA A 67 3.726 22.801 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 67 1.421 24.448 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.253 25.446 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.584 25.205 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.351 24.058 -4.526 1.00 0.00 H new ATOM 1083 N LYS A 68 0.879 22.149 -4.456 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.228 21.533 -5.245 1.00 0.00 C ATOM 1085 C LYS A 68 -1.293 20.736 -4.413 1.00 0.00 C ATOM 1086 O LYS A 68 -2.489 20.867 -4.677 1.00 0.00 O ATOM 1087 CB LYS A 68 0.421 20.612 -6.314 1.00 0.00 C ATOM 1088 CG LYS A 68 1.227 21.372 -7.394 1.00 0.00 C ATOM 1089 CD LYS A 68 2.282 20.457 -8.035 1.00 0.00 C ATOM 1090 CE LYS A 68 3.030 21.165 -9.176 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.863 20.188 -9.928 1.00 0.00 N ATOM 0 H LYS A 68 1.762 21.643 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.799 22.350 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.081 19.902 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.362 20.031 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.550 21.747 -8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.714 22.239 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.995 20.136 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.799 19.558 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.316 21.640 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.661 21.956 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.592 20.696 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.319 19.534 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.260 19.649 -10.582 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.864 19.897 -3.465 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.758 19.238 -2.471 1.00 0.00 C ATOM 1107 C HIS A 69 -1.209 19.501 -1.012 1.00 0.00 C ATOM 1108 O HIS A 69 0.006 19.651 -0.866 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.793 17.718 -2.761 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.037 17.160 -3.460 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.571 15.931 -3.106 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.760 17.684 -4.563 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.591 15.810 -4.003 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.785 16.817 -4.912 1.00 0.00 N ATOM 0 H HIS A 69 0.118 19.645 -3.354 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.766 19.645 -2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.925 17.472 -3.372 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.675 17.192 -1.814 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.544 18.620 -5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.231 14.940 -3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.490 16.905 -5.644 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.021 19.513 0.080 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.538 19.963 1.441 1.00 0.00 C ATOM 1125 C PRO A 70 -0.607 18.936 2.138 1.00 0.00 C ATOM 1126 O PRO A 70 0.533 18.759 1.697 1.00 0.00 O ATOM 1127 CB PRO A 70 -2.886 20.325 2.124 1.00 0.00 C ATOM 1128 CG PRO A 70 -3.895 19.317 1.518 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.485 19.301 0.032 1.00 0.00 C ATOM 0 HA PRO A 70 -0.853 20.811 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.824 20.225 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.176 21.355 1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.810 18.331 1.975 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.927 19.642 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.739 18.354 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.987 20.087 -0.532 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.052 18.223 3.186 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.264 17.105 3.767 1.00 0.00 C ATOM 1139 C ASP A 71 -0.461 15.704 3.097 1.00 0.00 C ATOM 1140 O ASP A 71 0.055 14.720 3.623 1.00 0.00 O ATOM 1141 CB ASP A 71 -0.478 17.122 5.297 1.00 0.00 C ATOM 1142 CG ASP A 71 0.587 16.323 6.058 1.00 0.00 C ATOM 1143 OD1 ASP A 71 1.795 16.611 5.877 1.00 0.00 O ATOM 1144 OD2 ASP A 71 0.217 15.379 6.789 1.00 0.00 O ATOM 0 H ASP A 71 -1.944 18.393 3.650 1.00 0.00 H new ATOM 0 HA ASP A 71 0.788 17.279 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.471 18.154 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.463 16.714 5.526 1.00 0.00 H new ATOM 1149 N GLU A 72 -1.106 15.581 1.916 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.482 14.255 1.352 1.00 0.00 C ATOM 1151 C GLU A 72 -0.320 13.201 1.202 1.00 0.00 C ATOM 1152 O GLU A 72 -0.498 12.062 1.616 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.207 14.430 -0.017 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.200 13.288 -0.301 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.361 12.873 -1.748 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.387 12.376 -2.351 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.474 13.013 -2.294 1.00 0.00 O ATOM 0 H GLU A 72 -1.378 16.374 1.335 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.147 13.832 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.739 15.382 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.466 14.472 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.887 12.415 0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.178 13.584 0.079 1.00 0.00 H new ATOM 1164 N LYS A 73 0.825 13.605 0.636 1.00 0.00 N ATOM 1165 CA LYS A 73 2.052 12.762 0.558 1.00 0.00 C ATOM 1166 C LYS A 73 2.870 12.830 1.866 1.00 0.00 C ATOM 1167 O LYS A 73 3.118 13.923 2.396 1.00 0.00 O ATOM 1168 CB LYS A 73 2.816 13.268 -0.681 1.00 0.00 C ATOM 1169 CG LYS A 73 4.062 12.514 -1.157 1.00 0.00 C ATOM 1170 CD LYS A 73 5.333 12.737 -0.335 1.00 0.00 C ATOM 1171 CE LYS A 73 6.639 12.859 -1.128 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.660 14.120 -1.919 1.00 0.00 N ATOM 0 H LYS A 73 0.939 14.527 0.214 1.00 0.00 H new ATOM 0 HA LYS A 73 1.823 11.702 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.111 13.293 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.113 14.298 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.838 11.447 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.265 12.801 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.205 13.644 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.435 11.911 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.488 12.839 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.746 12.004 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.357 14.037 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.718 14.291 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.920 14.914 -1.300 1.00 0.00 H new ATOM 1186 N PHE A 74 3.318 11.658 2.342 1.00 0.00 N ATOM 1187 CA PHE A 74 4.068 11.542 3.620 1.00 0.00 C ATOM 1188 C PHE A 74 5.508 12.161 3.538 1.00 0.00 C ATOM 1189 O PHE A 74 6.195 11.896 2.546 1.00 0.00 O ATOM 1190 CB PHE A 74 4.116 10.027 3.967 1.00 0.00 C ATOM 1191 CG PHE A 74 4.535 9.721 5.412 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.584 9.716 6.445 1.00 0.00 C ATOM 1193 CD2 PHE A 74 5.877 9.455 5.729 1.00 0.00 C ATOM 1194 CE1 PHE A 74 3.966 9.459 7.763 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.259 9.202 7.047 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.303 9.204 8.062 1.00 0.00 C ATOM 0 H PHE A 74 3.177 10.768 1.864 1.00 0.00 H new ATOM 0 HA PHE A 74 3.565 12.111 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.132 9.594 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.810 9.533 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.547 9.913 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.620 9.446 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.226 9.458 8.550 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.295 9.005 7.281 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.599 9.008 9.082 1.00 0.00 H new ATOM 1206 N PRO A 75 6.025 12.951 4.515 1.00 0.00 N ATOM 1207 CA PRO A 75 7.381 13.595 4.401 1.00 0.00 C ATOM 1208 C PRO A 75 8.591 12.623 4.495 1.00 0.00 C ATOM 1209 O PRO A 75 9.248 12.474 5.528 1.00 0.00 O ATOM 1210 CB PRO A 75 7.316 14.680 5.506 1.00 0.00 C ATOM 1211 CG PRO A 75 6.311 14.138 6.544 1.00 0.00 C ATOM 1212 CD PRO A 75 5.261 13.406 5.696 1.00 0.00 C ATOM 0 HA PRO A 75 7.573 14.007 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.296 14.845 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.986 15.636 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.793 13.464 7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.863 14.944 7.125 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.822 12.568 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.442 14.067 5.413 1.00 0.00 H new ATOM 1220 N ALA A 76 8.867 11.981 3.351 1.00 0.00 N ATOM 1221 CA ALA A 76 9.893 10.926 3.233 1.00 0.00 C ATOM 1222 C ALA A 76 11.241 11.453 2.662 1.00 0.00 C ATOM 1223 O ALA A 76 11.289 12.140 1.636 1.00 0.00 O ATOM 1224 CB ALA A 76 9.292 9.854 2.306 1.00 0.00 C ATOM 0 H ALA A 76 8.384 12.178 2.474 1.00 0.00 H new ATOM 0 HA ALA A 76 10.136 10.530 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.007 9.041 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.375 9.464 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.068 10.296 1.335 1.00 0.00 H new ATOM 1230 N PHE A 77 12.332 11.091 3.341 1.00 0.00 N ATOM 1231 CA PHE A 77 13.714 11.503 2.971 1.00 0.00 C ATOM 1232 C PHE A 77 14.518 10.383 2.216 1.00 0.00 C ATOM 1233 O PHE A 77 14.161 9.206 2.351 1.00 0.00 O ATOM 1234 CB PHE A 77 14.412 11.978 4.284 1.00 0.00 C ATOM 1235 CG PHE A 77 14.916 10.885 5.249 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.056 10.284 6.183 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.243 10.430 5.168 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.507 9.244 6.999 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.693 9.392 5.985 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.824 8.800 6.897 1.00 0.00 C ATOM 0 H PHE A 77 12.295 10.499 4.171 1.00 0.00 H new ATOM 0 HA PHE A 77 13.678 12.317 2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.261 12.603 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.713 12.613 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.036 10.629 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.923 10.889 4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.835 8.784 7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.714 9.048 5.910 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.171 7.995 7.527 1.00 0.00 H new ATOM 1250 N PRO A 78 15.630 10.661 1.481 1.00 0.00 N ATOM 1251 CA PRO A 78 16.457 9.584 0.844 1.00 0.00 C ATOM 1252 C PRO A 78 17.433 8.882 1.830 1.00 0.00 C ATOM 1253 O PRO A 78 18.536 9.367 2.101 1.00 0.00 O ATOM 1254 CB PRO A 78 17.157 10.382 -0.288 1.00 0.00 C ATOM 1255 CG PRO A 78 17.374 11.789 0.318 1.00 0.00 C ATOM 1256 CD PRO A 78 16.110 12.024 1.165 1.00 0.00 C ATOM 0 HA PRO A 78 15.881 8.731 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.103 9.921 -0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.539 10.426 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.277 11.827 0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.482 12.547 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.336 12.587 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.361 12.593 0.614 1.00 0.00 H new ATOM 1264 N GLY A 79 17.003 7.722 2.352 1.00 0.00 N ATOM 1265 CA GLY A 79 17.804 6.924 3.303 1.00 0.00 C ATOM 1266 C GLY A 79 18.456 5.695 2.670 1.00 0.00 C ATOM 1267 O GLY A 79 19.420 5.130 3.175 1.00 0.00 O ATOM 0 H GLY A 79 16.096 7.310 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.581 7.557 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.164 6.603 4.125 1.00 0.00 H new TER 1271 GLY A 79