USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 972 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 25 CYS SG : rot 59:sc= -0.652 USER MOD Set 1.2: A 131 TYR OH : rot 15:sc= 0.295 USER MOD Set 2.1: A 113 THR OG1 : rot -20:sc= 0.183 USER MOD Set 2.2: A 116 GLN : amide:sc= 0 K(o=0.18,f=-0.56) USER MOD Set 3.1: A 52 CYS SG : rot 45:sc= -3.51! USER MOD Set 3.2: A 54 HIS : no HE2:sc= -0.538 K(o=-4.1,f=-4.8) USER MOD Set 4.1: A 41 SER OG : rot 84:sc= 1.13 USER MOD Set 4.2: A 53 HIS : no HD1:sc= 0.8 K(o=1.9,f=-3.7!) USER MOD Set 5.1: A 4 SER OG : rot 88:sc= 0.249 USER MOD Set 5.2: A 92 GLN : amide:sc= -0.447 K(o=0.039,f=-4.1!) USER MOD Set 5.3: A 105 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00311) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= 1.41 (180deg=0.0357) USER MOD Single : A 8 HIS : no HE2:sc= 0.445 K(o=0.6,f=-2.1!) USER MOD Single : A 11 GLN : amide:sc= -0.0468 K(o=-0.047,f=-3.9!) USER MOD Single : A 21 ASN : amide:sc= -0.34 K(o=-0.34,f=-0.97) USER MOD Single : A 30 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.018) USER MOD Single : A 33 SER OG : rot 180:sc= -0.177 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -0.181 X(o=-0.18,f=-0.11) USER MOD Single : A 38 THR OG1 : rot 114:sc= 0.779 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 137:sc= -1.12 (180deg=-1.75) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -13:sc= -0.0137 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00859 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -71:sc= 0.923 USER MOD Single : A 83 MET CE :methyl 162:sc= -0.255 (180deg=-0.797) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.781 USER MOD Single : A 103 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.1) USER MOD Single : A 117 GLN : amide:sc= -0.259 K(o=-0.26,f=-5.6!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 122 GLN : amide:sc= -1.1 K(o=-1.1,f=-3!) USER MOD Single : A 127 ASN : amide:sc= 0.417 K(o=0.42,f=-0.65) USER MOD Single : A 129 LYS NZ :NH3+ -148:sc= 1.17 (180deg=0.666) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.565 16.908 3.924 1.00 0.00 N ATOM 2 CA MET A 1 6.627 16.290 4.883 1.00 0.00 C ATOM 3 C MET A 1 6.255 14.877 4.423 1.00 0.00 C ATOM 4 O MET A 1 5.743 14.695 3.317 1.00 0.00 O ATOM 5 CB MET A 1 5.351 17.160 5.042 1.00 0.00 C ATOM 6 CG MET A 1 4.340 16.635 6.075 1.00 0.00 C ATOM 7 SD MET A 1 2.879 17.688 6.222 1.00 0.00 S ATOM 8 CE MET A 1 2.035 16.954 7.623 1.00 0.00 C ATOM 0 H1 MET A 1 7.810 17.866 4.246 1.00 0.00 H new ATOM 0 H2 MET A 1 8.429 16.332 3.863 1.00 0.00 H new ATOM 0 H3 MET A 1 7.118 16.962 2.987 1.00 0.00 H new ATOM 0 HA MET A 1 7.119 16.225 5.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.649 18.169 5.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.855 17.234 4.074 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.030 15.628 5.794 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.827 16.559 7.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.144 17.537 7.857 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.746 15.932 7.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.701 16.946 8.486 1.00 0.00 H new ATOM 20 N LYS A 2 6.531 13.882 5.285 1.00 0.00 N ATOM 21 CA LYS A 2 6.134 12.482 5.068 1.00 0.00 C ATOM 22 C LYS A 2 5.255 12.031 6.242 1.00 0.00 C ATOM 23 O LYS A 2 5.715 12.003 7.385 1.00 0.00 O ATOM 24 CB LYS A 2 7.371 11.547 4.928 1.00 0.00 C ATOM 25 CG LYS A 2 8.363 11.918 3.801 1.00 0.00 C ATOM 26 CD LYS A 2 9.488 10.869 3.631 1.00 0.00 C ATOM 27 CE LYS A 2 10.571 11.322 2.646 1.00 0.00 C ATOM 28 NZ LYS A 2 10.036 11.613 1.294 1.00 0.00 N ATOM 0 H LYS A 2 7.039 14.029 6.157 1.00 0.00 H new ATOM 0 HA LYS A 2 5.576 12.417 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.910 11.542 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.018 10.530 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.819 12.018 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.807 12.890 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.944 10.670 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.056 9.931 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.061 12.214 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.334 10.547 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.647 11.172 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.073 11.229 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.013 12.642 1.144 1.00 0.00 H new ATOM 42 N ILE A 3 3.985 11.724 5.959 1.00 0.00 N ATOM 43 CA ILE A 3 3.036 11.194 6.951 1.00 0.00 C ATOM 44 C ILE A 3 3.189 9.663 7.049 1.00 0.00 C ATOM 45 O ILE A 3 3.028 8.967 6.044 1.00 0.00 O ATOM 46 CB ILE A 3 1.547 11.525 6.560 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.357 13.046 6.240 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.567 11.064 7.676 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.005 13.386 5.672 1.00 0.00 C ATOM 0 H ILE A 3 3.581 11.836 5.029 1.00 0.00 H new ATOM 0 HA ILE A 3 3.261 11.665 7.908 1.00 0.00 H new ATOM 0 HB ILE A 3 1.315 10.970 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.514 13.622 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.124 13.357 5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.456 11.303 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.661 9.988 7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.808 11.578 8.607 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.061 14.457 5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.158 12.839 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.778 13.108 6.388 1.00 0.00 H new ATOM 61 N SER A 4 3.501 9.142 8.240 1.00 0.00 N ATOM 62 CA SER A 4 3.578 7.693 8.463 1.00 0.00 C ATOM 63 C SER A 4 2.295 7.218 9.156 1.00 0.00 C ATOM 64 O SER A 4 1.841 7.841 10.112 1.00 0.00 O ATOM 65 CB SER A 4 4.816 7.353 9.307 1.00 0.00 C ATOM 66 OG SER A 4 5.043 5.955 9.359 1.00 0.00 O ATOM 0 H SER A 4 3.705 9.703 9.067 1.00 0.00 H new ATOM 0 HA SER A 4 3.672 7.179 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.691 7.849 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.685 7.739 10.318 1.00 0.00 H new ATOM 0 HG SER A 4 5.604 5.686 8.602 1.00 0.00 H new ATOM 72 N ILE A 5 1.703 6.141 8.631 1.00 0.00 N ATOM 73 CA ILE A 5 0.529 5.466 9.221 1.00 0.00 C ATOM 74 C ILE A 5 0.932 4.031 9.616 1.00 0.00 C ATOM 75 O ILE A 5 1.942 3.522 9.122 1.00 0.00 O ATOM 76 CB ILE A 5 -0.685 5.434 8.214 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.303 4.689 6.899 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.183 6.865 7.903 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.422 4.514 5.900 1.00 0.00 C ATOM 0 H ILE A 5 2.027 5.702 7.769 1.00 0.00 H new ATOM 0 HA ILE A 5 0.206 6.022 10.101 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.497 4.886 8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.509 5.234 6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.085 3.704 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.020 6.816 7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.507 7.346 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.374 7.443 7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.048 3.984 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.229 3.939 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.798 5.492 5.600 1.00 0.00 H new ATOM 91 N GLU A 6 0.157 3.379 10.502 1.00 0.00 N ATOM 92 CA GLU A 6 0.521 2.046 11.040 1.00 0.00 C ATOM 93 C GLU A 6 -0.684 1.087 11.134 1.00 0.00 C ATOM 94 O GLU A 6 -1.847 1.510 11.078 1.00 0.00 O ATOM 95 CB GLU A 6 1.179 2.204 12.433 1.00 0.00 C ATOM 96 CG GLU A 6 0.307 2.926 13.486 1.00 0.00 C ATOM 97 CD GLU A 6 0.863 2.826 14.913 1.00 0.00 C ATOM 98 OE1 GLU A 6 1.705 3.657 15.302 1.00 0.00 O ATOM 99 OE2 GLU A 6 0.483 1.882 15.640 1.00 0.00 O ATOM 0 H GLU A 6 -0.723 3.748 10.862 1.00 0.00 H new ATOM 0 HA GLU A 6 1.227 1.601 10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.436 1.215 12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.113 2.754 12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.217 3.977 13.212 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.698 2.504 13.465 1.00 0.00 H new ATOM 106 N ALA A 7 -0.372 -0.219 11.276 1.00 0.00 N ATOM 107 CA ALA A 7 -1.367 -1.288 11.462 1.00 0.00 C ATOM 108 C ALA A 7 -0.701 -2.493 12.149 1.00 0.00 C ATOM 109 O ALA A 7 0.266 -3.040 11.620 1.00 0.00 O ATOM 110 CB ALA A 7 -1.972 -1.700 10.099 1.00 0.00 C ATOM 0 H ALA A 7 0.589 -0.561 11.264 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.176 -0.923 12.095 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.706 -2.491 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.457 -0.838 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.180 -2.061 9.444 1.00 0.00 H new ATOM 116 N HIS A 8 -1.206 -2.907 13.329 1.00 0.00 N ATOM 117 CA HIS A 8 -0.691 -4.093 14.044 1.00 0.00 C ATOM 118 C HIS A 8 -1.494 -5.317 13.571 1.00 0.00 C ATOM 119 O HIS A 8 -2.517 -5.675 14.167 1.00 0.00 O ATOM 120 CB HIS A 8 -0.798 -3.936 15.584 1.00 0.00 C ATOM 121 CG HIS A 8 -0.083 -2.738 16.166 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.084 -2.835 16.884 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.411 -1.419 16.180 1.00 0.00 C ATOM 124 CE1 HIS A 8 1.443 -1.641 17.318 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.558 -0.764 16.900 1.00 0.00 N ATOM 0 H HIS A 8 -1.973 -2.435 13.808 1.00 0.00 H new ATOM 0 HA HIS A 8 0.368 -4.215 13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.852 -3.874 15.853 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.402 -4.837 16.052 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.596 -3.700 17.056 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.274 -0.969 15.712 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.316 -1.422 17.915 1.00 0.00 H new ATOM 134 N ILE A 9 -1.062 -5.893 12.444 1.00 0.00 N ATOM 135 CA ILE A 9 -1.765 -6.997 11.779 1.00 0.00 C ATOM 136 C ILE A 9 -1.442 -8.316 12.484 1.00 0.00 C ATOM 137 O ILE A 9 -0.309 -8.773 12.411 1.00 0.00 O ATOM 138 CB ILE A 9 -1.359 -7.082 10.262 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.503 -5.676 9.589 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.196 -8.160 9.528 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.241 -5.648 8.108 1.00 0.00 C ATOM 0 H ILE A 9 -0.209 -5.605 11.964 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.838 -6.811 11.837 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.314 -7.383 10.190 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.512 -5.305 9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.816 -4.985 10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.898 -8.201 8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.025 -9.131 9.992 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.254 -7.907 9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.366 -4.631 7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.223 -5.984 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.945 -6.309 7.601 1.00 0.00 H new ATOM 153 N GLU A 10 -2.442 -8.920 13.148 1.00 0.00 N ATOM 154 CA GLU A 10 -2.259 -10.156 13.926 1.00 0.00 C ATOM 155 C GLU A 10 -2.144 -11.365 12.986 1.00 0.00 C ATOM 156 O GLU A 10 -3.124 -12.072 12.721 1.00 0.00 O ATOM 157 CB GLU A 10 -3.401 -10.329 14.964 1.00 0.00 C ATOM 158 CG GLU A 10 -3.409 -9.249 16.062 1.00 0.00 C ATOM 159 CD GLU A 10 -4.471 -9.495 17.144 1.00 0.00 C ATOM 160 OE1 GLU A 10 -4.289 -10.413 17.968 1.00 0.00 O ATOM 161 OE2 GLU A 10 -5.487 -8.774 17.181 1.00 0.00 O ATOM 0 H GLU A 10 -3.398 -8.565 13.160 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.327 -10.086 14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.359 -10.312 14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.309 -11.309 15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.425 -9.208 16.530 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.585 -8.276 15.604 1.00 0.00 H new ATOM 168 N GLN A 11 -0.922 -11.532 12.464 1.00 0.00 N ATOM 169 CA GLN A 11 -0.547 -12.594 11.531 1.00 0.00 C ATOM 170 C GLN A 11 0.973 -12.565 11.322 1.00 0.00 C ATOM 171 O GLN A 11 1.611 -11.547 11.601 1.00 0.00 O ATOM 172 CB GLN A 11 -1.307 -12.429 10.179 1.00 0.00 C ATOM 173 CG GLN A 11 -1.249 -13.645 9.242 1.00 0.00 C ATOM 174 CD GLN A 11 -1.625 -14.946 9.950 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.759 -15.666 10.454 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.911 -15.219 10.063 1.00 0.00 N ATOM 0 H GLN A 11 -0.145 -10.910 12.689 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.828 -13.562 11.946 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.352 -12.205 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.898 -11.566 9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.924 -13.484 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.243 -13.736 8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.603 -14.604 9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.214 -16.045 10.579 1.00 0.00 H new ATOM 185 N GLU A 12 1.538 -13.677 10.839 1.00 0.00 N ATOM 186 CA GLU A 12 2.973 -13.807 10.567 1.00 0.00 C ATOM 187 C GLU A 12 3.385 -12.885 9.410 1.00 0.00 C ATOM 188 O GLU A 12 2.640 -12.762 8.430 1.00 0.00 O ATOM 189 CB GLU A 12 3.287 -15.283 10.215 1.00 0.00 C ATOM 190 CG GLU A 12 4.763 -15.597 9.919 1.00 0.00 C ATOM 191 CD GLU A 12 5.717 -15.236 11.071 1.00 0.00 C ATOM 192 OE1 GLU A 12 5.772 -15.979 12.070 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.422 -14.211 10.979 1.00 0.00 O ATOM 0 H GLU A 12 1.006 -14.520 10.624 1.00 0.00 H new ATOM 0 HA GLU A 12 3.538 -13.514 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.959 -15.912 11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.693 -15.565 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.861 -16.660 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.068 -15.055 9.024 1.00 0.00 H new ATOM 200 N ILE A 13 4.590 -12.284 9.518 1.00 0.00 N ATOM 201 CA ILE A 13 5.118 -11.326 8.519 1.00 0.00 C ATOM 202 C ILE A 13 5.242 -11.973 7.119 1.00 0.00 C ATOM 203 O ILE A 13 5.222 -11.273 6.115 1.00 0.00 O ATOM 204 CB ILE A 13 6.503 -10.710 8.981 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.924 -9.495 8.081 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.621 -11.782 9.019 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.182 -8.786 8.539 1.00 0.00 C ATOM 0 H ILE A 13 5.225 -12.448 10.299 1.00 0.00 H new ATOM 0 HA ILE A 13 4.398 -10.511 8.445 1.00 0.00 H new ATOM 0 HB ILE A 13 6.363 -10.340 9.997 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.071 -9.848 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.105 -8.776 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.555 -11.322 9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.345 -12.571 9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.750 -12.209 8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.401 -7.960 7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.035 -8.399 9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.016 -9.488 8.537 1.00 0.00 H new ATOM 219 N GLU A 14 5.337 -13.320 7.073 1.00 0.00 N ATOM 220 CA GLU A 14 5.356 -14.085 5.813 1.00 0.00 C ATOM 221 C GLU A 14 4.011 -13.944 5.074 1.00 0.00 C ATOM 222 O GLU A 14 3.973 -13.545 3.907 1.00 0.00 O ATOM 223 CB GLU A 14 5.644 -15.582 6.088 1.00 0.00 C ATOM 224 CG GLU A 14 6.962 -15.865 6.819 1.00 0.00 C ATOM 225 CD GLU A 14 7.237 -17.369 6.953 1.00 0.00 C ATOM 226 OE1 GLU A 14 7.770 -17.964 5.991 1.00 0.00 O ATOM 227 OE2 GLU A 14 6.903 -17.968 7.999 1.00 0.00 O ATOM 0 H GLU A 14 5.402 -13.903 7.907 1.00 0.00 H new ATOM 0 HA GLU A 14 6.150 -13.681 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.824 -15.992 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.651 -16.116 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.784 -15.393 6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.930 -15.413 7.810 1.00 0.00 H new ATOM 234 N ALA A 15 2.915 -14.265 5.787 1.00 0.00 N ATOM 235 CA ALA A 15 1.542 -14.237 5.226 1.00 0.00 C ATOM 236 C ALA A 15 1.093 -12.794 4.916 1.00 0.00 C ATOM 237 O ALA A 15 0.429 -12.540 3.903 1.00 0.00 O ATOM 238 CB ALA A 15 0.568 -14.929 6.197 1.00 0.00 C ATOM 0 H ALA A 15 2.951 -14.551 6.765 1.00 0.00 H new ATOM 0 HA ALA A 15 1.540 -14.783 4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.439 -14.906 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.876 -15.964 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.577 -14.408 7.154 1.00 0.00 H new ATOM 244 N VAL A 16 1.477 -11.868 5.809 1.00 0.00 N ATOM 245 CA VAL A 16 1.236 -10.422 5.636 1.00 0.00 C ATOM 246 C VAL A 16 1.948 -9.906 4.364 1.00 0.00 C ATOM 247 O VAL A 16 1.316 -9.287 3.506 1.00 0.00 O ATOM 248 CB VAL A 16 1.712 -9.610 6.900 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.608 -8.082 6.690 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.927 -10.040 8.161 1.00 0.00 C ATOM 0 H VAL A 16 1.965 -12.099 6.674 1.00 0.00 H new ATOM 0 HA VAL A 16 0.162 -10.270 5.524 1.00 0.00 H new ATOM 0 HB VAL A 16 2.766 -9.845 7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.947 -7.567 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.232 -7.787 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.572 -7.812 6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.274 -9.465 9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.136 -9.857 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.089 -11.102 8.346 1.00 0.00 H new ATOM 260 N TRP A 17 3.258 -10.204 4.244 1.00 0.00 N ATOM 261 CA TRP A 17 4.052 -9.815 3.062 1.00 0.00 C ATOM 262 C TRP A 17 3.496 -10.470 1.795 1.00 0.00 C ATOM 263 O TRP A 17 3.483 -9.842 0.756 1.00 0.00 O ATOM 264 CB TRP A 17 5.562 -10.160 3.233 1.00 0.00 C ATOM 265 CG TRP A 17 6.417 -9.926 1.992 1.00 0.00 C ATOM 266 CD1 TRP A 17 7.080 -10.876 1.258 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.679 -8.671 1.327 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.728 -10.293 0.200 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.497 -8.948 0.218 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.299 -7.348 1.562 1.00 0.00 C ATOM 271 CZ2 TRP A 17 7.944 -7.956 -0.650 1.00 0.00 C ATOM 272 CZ3 TRP A 17 6.741 -6.362 0.699 1.00 0.00 C ATOM 273 CH2 TRP A 17 7.559 -6.668 -0.394 1.00 0.00 C ATOM 0 H TRP A 17 3.788 -10.713 4.952 1.00 0.00 H new ATOM 0 HA TRP A 17 3.971 -8.732 2.964 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.965 -9.565 4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.650 -11.206 3.526 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.090 -11.933 1.482 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.293 -10.786 -0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.670 -7.099 2.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.572 -8.194 -1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.449 -5.337 0.872 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.892 -5.875 -1.047 1.00 0.00 H new ATOM 284 N TRP A 18 3.011 -11.719 1.908 1.00 0.00 N ATOM 285 CA TRP A 18 2.483 -12.484 0.761 1.00 0.00 C ATOM 286 C TRP A 18 1.244 -11.789 0.145 1.00 0.00 C ATOM 287 O TRP A 18 1.127 -11.684 -1.079 1.00 0.00 O ATOM 288 CB TRP A 18 2.141 -13.937 1.186 1.00 0.00 C ATOM 289 CG TRP A 18 1.616 -14.792 0.045 1.00 0.00 C ATOM 290 CD1 TRP A 18 2.351 -15.485 -0.879 1.00 0.00 C ATOM 291 CD2 TRP A 18 0.235 -15.020 -0.297 1.00 0.00 C ATOM 292 NE1 TRP A 18 1.517 -16.092 -1.786 1.00 0.00 N ATOM 293 CE2 TRP A 18 0.217 -15.822 -1.452 1.00 0.00 C ATOM 294 CE3 TRP A 18 -0.982 -14.595 0.250 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -0.965 -16.225 -2.055 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.155 -15.000 -0.349 1.00 0.00 C ATOM 297 CH2 TRP A 18 -2.141 -15.800 -1.495 1.00 0.00 C ATOM 0 H TRP A 18 2.973 -12.226 2.792 1.00 0.00 H new ATOM 0 HA TRP A 18 3.259 -12.520 -0.003 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.033 -14.406 1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.397 -13.909 1.982 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.429 -15.546 -0.893 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.818 -16.654 -2.582 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.001 -13.962 1.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.959 -16.852 -2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.101 -14.694 0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.077 -16.089 -1.949 1.00 0.00 H new ATOM 308 N ALA A 19 0.318 -11.345 1.005 1.00 0.00 N ATOM 309 CA ALA A 19 -0.892 -10.615 0.568 1.00 0.00 C ATOM 310 C ALA A 19 -0.563 -9.196 0.047 1.00 0.00 C ATOM 311 O ALA A 19 -1.313 -8.632 -0.765 1.00 0.00 O ATOM 312 CB ALA A 19 -1.903 -10.567 1.712 1.00 0.00 C ATOM 0 H ALA A 19 0.380 -11.477 2.015 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.330 -11.155 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.794 -10.029 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.177 -11.582 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.461 -10.056 2.567 1.00 0.00 H new ATOM 318 N TRP A 20 0.546 -8.621 0.541 1.00 0.00 N ATOM 319 CA TRP A 20 1.081 -7.337 0.030 1.00 0.00 C ATOM 320 C TRP A 20 1.901 -7.586 -1.264 1.00 0.00 C ATOM 321 O TRP A 20 2.125 -6.671 -2.052 1.00 0.00 O ATOM 322 CB TRP A 20 1.960 -6.659 1.125 1.00 0.00 C ATOM 323 CG TRP A 20 2.259 -5.185 0.879 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.183 -4.645 0.018 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.632 -4.059 1.522 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.131 -3.274 0.064 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.198 -2.892 0.983 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.644 -3.932 2.493 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.801 -1.617 1.383 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.253 -2.673 2.895 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.830 -1.527 2.341 1.00 0.00 C ATOM 0 H TRP A 20 1.096 -9.025 1.299 1.00 0.00 H new ATOM 0 HA TRP A 20 0.255 -6.668 -0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.458 -6.758 2.087 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.904 -7.199 1.200 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.854 -5.217 -0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.699 -2.642 -0.499 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.189 -4.810 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.245 -0.732 0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.512 -2.570 3.651 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.503 -0.554 2.676 1.00 0.00 H new ATOM 342 N ASN A 21 2.338 -8.840 -1.462 1.00 0.00 N ATOM 343 CA ASN A 21 3.214 -9.232 -2.582 1.00 0.00 C ATOM 344 C ASN A 21 2.382 -9.572 -3.825 1.00 0.00 C ATOM 345 O ASN A 21 2.778 -9.243 -4.947 1.00 0.00 O ATOM 346 CB ASN A 21 4.059 -10.470 -2.170 1.00 0.00 C ATOM 347 CG ASN A 21 5.103 -10.919 -3.196 1.00 0.00 C ATOM 348 OD1 ASN A 21 6.270 -10.535 -3.120 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.697 -11.733 -4.167 1.00 0.00 N ATOM 0 H ASN A 21 2.093 -9.616 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 21 3.872 -8.396 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.568 -10.247 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.383 -11.303 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.359 -12.055 -4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.724 -12.035 -4.205 1.00 0.00 H new ATOM 356 N ASP A 22 1.231 -10.221 -3.600 1.00 0.00 N ATOM 357 CA ASP A 22 0.382 -10.752 -4.687 1.00 0.00 C ATOM 358 C ASP A 22 -0.295 -9.591 -5.426 1.00 0.00 C ATOM 359 O ASP A 22 -1.048 -8.851 -4.803 1.00 0.00 O ATOM 360 CB ASP A 22 -0.678 -11.748 -4.140 1.00 0.00 C ATOM 361 CG ASP A 22 -1.500 -12.445 -5.256 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.536 -11.903 -5.690 1.00 0.00 O ATOM 363 OD2 ASP A 22 -1.097 -13.535 -5.706 1.00 0.00 O ATOM 0 H ASP A 22 0.860 -10.394 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 22 1.015 -11.300 -5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.177 -12.507 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.359 -11.215 -3.476 1.00 0.00 H new ATOM 368 N PRO A 23 -0.062 -9.437 -6.769 1.00 0.00 N ATOM 369 CA PRO A 23 -0.517 -8.249 -7.529 1.00 0.00 C ATOM 370 C PRO A 23 -2.057 -8.084 -7.529 1.00 0.00 C ATOM 371 O PRO A 23 -2.574 -6.960 -7.427 1.00 0.00 O ATOM 372 CB PRO A 23 0.027 -8.512 -8.958 1.00 0.00 C ATOM 373 CG PRO A 23 0.218 -9.992 -9.039 1.00 0.00 C ATOM 374 CD PRO A 23 0.646 -10.414 -7.657 1.00 0.00 C ATOM 0 HA PRO A 23 -0.155 -7.319 -7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.674 -8.163 -9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.966 -7.984 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.704 -10.492 -9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.973 -10.251 -9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.353 -11.441 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.728 -10.359 -7.536 1.00 0.00 H new ATOM 382 N ASP A 24 -2.768 -9.224 -7.630 1.00 0.00 N ATOM 383 CA ASP A 24 -4.247 -9.256 -7.704 1.00 0.00 C ATOM 384 C ASP A 24 -4.854 -9.011 -6.314 1.00 0.00 C ATOM 385 O ASP A 24 -5.966 -8.470 -6.190 1.00 0.00 O ATOM 386 CB ASP A 24 -4.712 -10.627 -8.270 1.00 0.00 C ATOM 387 CG ASP A 24 -6.215 -10.692 -8.617 1.00 0.00 C ATOM 388 OD1 ASP A 24 -6.650 -9.986 -9.548 1.00 0.00 O ATOM 389 OD2 ASP A 24 -6.968 -11.456 -7.980 1.00 0.00 O ATOM 0 H ASP A 24 -2.337 -10.148 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.590 -8.465 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.134 -10.852 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.485 -11.404 -7.540 1.00 0.00 H new ATOM 394 N CYS A 25 -4.100 -9.422 -5.273 1.00 0.00 N ATOM 395 CA CYS A 25 -4.486 -9.212 -3.873 1.00 0.00 C ATOM 396 C CYS A 25 -4.336 -7.736 -3.502 1.00 0.00 C ATOM 397 O CYS A 25 -5.208 -7.196 -2.827 1.00 0.00 O ATOM 398 CB CYS A 25 -3.666 -10.103 -2.917 1.00 0.00 C ATOM 399 SG CYS A 25 -4.162 -9.996 -1.185 1.00 0.00 S ATOM 0 H CYS A 25 -3.210 -9.907 -5.385 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.532 -9.499 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.752 -11.140 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.614 -9.829 -2.998 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.409 -10.345 -1.068 1.00 0.00 H new ATOM 405 N ILE A 26 -3.248 -7.084 -3.987 1.00 0.00 N ATOM 406 CA ILE A 26 -3.028 -5.629 -3.806 1.00 0.00 C ATOM 407 C ILE A 26 -4.241 -4.865 -4.335 1.00 0.00 C ATOM 408 O ILE A 26 -4.863 -4.111 -3.609 1.00 0.00 O ATOM 409 CB ILE A 26 -1.722 -5.110 -4.525 1.00 0.00 C ATOM 410 CG1 ILE A 26 -0.454 -5.835 -3.977 1.00 0.00 C ATOM 411 CG2 ILE A 26 -1.581 -3.568 -4.373 1.00 0.00 C ATOM 412 CD1 ILE A 26 0.835 -5.488 -4.704 1.00 0.00 C ATOM 0 H ILE A 26 -2.506 -7.549 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.895 -5.453 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.811 -5.342 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.338 -5.589 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.612 -6.912 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.674 -3.234 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.446 -3.078 -4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.525 -3.310 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.664 -6.037 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.744 -5.761 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.022 -4.417 -4.622 1.00 0.00 H new ATOM 424 N ALA A 27 -4.612 -5.174 -5.585 1.00 0.00 N ATOM 425 CA ALA A 27 -5.764 -4.559 -6.274 1.00 0.00 C ATOM 426 C ALA A 27 -7.119 -4.830 -5.567 1.00 0.00 C ATOM 427 O ALA A 27 -8.124 -4.196 -5.891 1.00 0.00 O ATOM 428 CB ALA A 27 -5.814 -5.084 -7.712 1.00 0.00 C ATOM 0 H ALA A 27 -4.120 -5.863 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.619 -3.479 -6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.661 -4.638 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.891 -4.820 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.926 -6.168 -7.700 1.00 0.00 H new ATOM 434 N ARG A 28 -7.136 -5.804 -4.641 1.00 0.00 N ATOM 435 CA ARG A 28 -8.342 -6.245 -3.912 1.00 0.00 C ATOM 436 C ARG A 28 -8.572 -5.383 -2.640 1.00 0.00 C ATOM 437 O ARG A 28 -9.708 -4.972 -2.363 1.00 0.00 O ATOM 438 CB ARG A 28 -8.178 -7.749 -3.568 1.00 0.00 C ATOM 439 CG ARG A 28 -9.434 -8.497 -3.082 1.00 0.00 C ATOM 440 CD ARG A 28 -9.132 -9.987 -2.821 1.00 0.00 C ATOM 441 NE ARG A 28 -8.579 -10.659 -4.026 1.00 0.00 N ATOM 442 CZ ARG A 28 -7.464 -11.422 -4.066 1.00 0.00 C ATOM 443 NH1 ARG A 28 -6.744 -11.643 -2.974 1.00 0.00 N ATOM 444 NH2 ARG A 28 -7.062 -11.940 -5.216 1.00 0.00 N ATOM 0 H ARG A 28 -6.297 -6.318 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.226 -6.113 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.801 -8.260 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.411 -7.839 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.805 -8.033 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.224 -8.409 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.422 -10.075 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.046 -10.494 -2.510 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.087 -10.533 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.029 -11.234 -2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.906 -12.222 -3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.593 -11.763 -6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.221 -12.516 -5.250 1.00 0.00 H new ATOM 458 N TRP A 29 -7.488 -5.112 -1.870 1.00 0.00 N ATOM 459 CA TRP A 29 -7.565 -4.267 -0.639 1.00 0.00 C ATOM 460 C TRP A 29 -7.264 -2.781 -0.932 1.00 0.00 C ATOM 461 O TRP A 29 -7.645 -1.898 -0.148 1.00 0.00 O ATOM 462 CB TRP A 29 -6.638 -4.817 0.502 1.00 0.00 C ATOM 463 CG TRP A 29 -5.173 -5.022 0.144 1.00 0.00 C ATOM 464 CD1 TRP A 29 -4.568 -6.210 -0.170 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.120 -4.029 0.107 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.235 -6.014 -0.431 1.00 0.00 N ATOM 467 CE2 TRP A 29 -2.935 -4.690 -0.262 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.068 -2.649 0.345 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -1.724 -4.025 -0.411 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -2.861 -1.989 0.200 1.00 0.00 C ATOM 471 CH2 TRP A 29 -1.704 -2.678 -0.176 1.00 0.00 C ATOM 0 H TRP A 29 -6.552 -5.462 -2.074 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.595 -4.324 -0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.690 -4.129 1.346 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.043 -5.770 0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.069 -7.166 -0.207 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.573 -6.740 -0.707 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.957 -2.109 0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.829 -4.554 -0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.812 -0.925 0.380 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.776 -2.136 -0.283 1.00 0.00 H new ATOM 482 N ASN A 30 -6.571 -2.502 -2.047 1.00 0.00 N ATOM 483 CA ASN A 30 -6.185 -1.122 -2.424 1.00 0.00 C ATOM 484 C ASN A 30 -7.356 -0.435 -3.139 1.00 0.00 C ATOM 485 O ASN A 30 -7.513 -0.553 -4.357 1.00 0.00 O ATOM 486 CB ASN A 30 -4.883 -1.104 -3.290 1.00 0.00 C ATOM 487 CG ASN A 30 -4.356 0.297 -3.675 1.00 0.00 C ATOM 488 OD1 ASN A 30 -3.776 0.474 -4.745 1.00 0.00 O ATOM 489 ND2 ASN A 30 -4.511 1.297 -2.805 1.00 0.00 N ATOM 0 H ASN A 30 -6.263 -3.213 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.958 -0.562 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.099 -1.630 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.069 -1.667 -4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.146 2.224 -3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.994 1.134 -1.922 1.00 0.00 H new ATOM 496 N ALA A 31 -8.218 0.206 -2.344 1.00 0.00 N ATOM 497 CA ALA A 31 -9.369 0.979 -2.830 1.00 0.00 C ATOM 498 C ALA A 31 -9.579 2.177 -1.910 1.00 0.00 C ATOM 499 O ALA A 31 -9.454 2.043 -0.687 1.00 0.00 O ATOM 500 CB ALA A 31 -10.633 0.104 -2.869 1.00 0.00 C ATOM 0 H ALA A 31 -8.136 0.203 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.172 1.325 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.474 0.695 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.469 -0.742 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.853 -0.262 -1.866 1.00 0.00 H new ATOM 506 N ALA A 32 -9.886 3.343 -2.499 1.00 0.00 N ATOM 507 CA ALA A 32 -10.193 4.570 -1.736 1.00 0.00 C ATOM 508 C ALA A 32 -11.507 4.400 -0.946 1.00 0.00 C ATOM 509 O ALA A 32 -11.620 4.837 0.202 1.00 0.00 O ATOM 510 CB ALA A 32 -10.274 5.773 -2.686 1.00 0.00 C ATOM 0 H ALA A 32 -9.929 3.465 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.392 4.751 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.501 6.673 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.319 5.898 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.060 5.603 -3.422 1.00 0.00 H new ATOM 516 N SER A 33 -12.474 3.731 -1.581 1.00 0.00 N ATOM 517 CA SER A 33 -13.783 3.414 -0.987 1.00 0.00 C ATOM 518 C SER A 33 -14.263 2.047 -1.497 1.00 0.00 C ATOM 519 O SER A 33 -13.681 1.488 -2.434 1.00 0.00 O ATOM 520 CB SER A 33 -14.815 4.519 -1.332 1.00 0.00 C ATOM 521 OG SER A 33 -16.103 4.225 -0.804 1.00 0.00 O ATOM 0 H SER A 33 -12.371 3.388 -2.536 1.00 0.00 H new ATOM 0 HA SER A 33 -13.683 3.371 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.470 5.474 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.882 4.628 -2.414 1.00 0.00 H new ATOM 0 HG SER A 33 -16.725 4.944 -1.040 1.00 0.00 H new ATOM 527 N SER A 34 -15.329 1.521 -0.873 1.00 0.00 N ATOM 528 CA SER A 34 -15.982 0.267 -1.296 1.00 0.00 C ATOM 529 C SER A 34 -16.787 0.475 -2.600 1.00 0.00 C ATOM 530 O SER A 34 -17.142 -0.491 -3.297 1.00 0.00 O ATOM 531 CB SER A 34 -16.885 -0.258 -0.160 1.00 0.00 C ATOM 532 OG SER A 34 -17.554 -1.450 -0.538 1.00 0.00 O ATOM 0 H SER A 34 -15.765 1.953 -0.058 1.00 0.00 H new ATOM 0 HA SER A 34 -15.214 -0.478 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.282 -0.444 0.729 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.618 0.504 0.105 1.00 0.00 H new ATOM 0 HG SER A 34 -18.117 -1.758 0.203 1.00 0.00 H new ATOM 538 N ASP A 35 -17.064 1.745 -2.919 1.00 0.00 N ATOM 539 CA ASP A 35 -17.688 2.144 -4.192 1.00 0.00 C ATOM 540 C ASP A 35 -16.626 2.232 -5.303 1.00 0.00 C ATOM 541 O ASP A 35 -16.963 2.392 -6.468 1.00 0.00 O ATOM 542 CB ASP A 35 -18.403 3.507 -4.038 1.00 0.00 C ATOM 543 CG ASP A 35 -19.465 3.530 -2.929 1.00 0.00 C ATOM 544 OD1 ASP A 35 -19.103 3.757 -1.753 1.00 0.00 O ATOM 545 OD2 ASP A 35 -20.659 3.289 -3.213 1.00 0.00 O ATOM 0 H ASP A 35 -16.862 2.530 -2.300 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.425 1.389 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.658 4.276 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.875 3.768 -4.985 1.00 0.00 H new ATOM 550 N TRP A 36 -15.344 2.103 -4.930 1.00 0.00 N ATOM 551 CA TRP A 36 -14.208 2.161 -5.863 1.00 0.00 C ATOM 552 C TRP A 36 -13.537 0.788 -5.924 1.00 0.00 C ATOM 553 O TRP A 36 -13.489 0.062 -4.926 1.00 0.00 O ATOM 554 CB TRP A 36 -13.190 3.246 -5.431 1.00 0.00 C ATOM 555 CG TRP A 36 -13.682 4.664 -5.641 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.657 5.313 -4.937 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.212 5.608 -6.617 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.826 6.580 -5.418 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.953 6.791 -6.444 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.240 5.568 -7.617 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.752 7.918 -7.232 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.040 6.684 -8.395 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.790 7.847 -8.200 1.00 0.00 C ATOM 0 H TRP A 36 -15.063 1.954 -3.961 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.575 2.430 -6.854 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.950 3.107 -4.377 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.265 3.106 -5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.215 4.885 -4.117 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.499 7.261 -5.066 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.654 4.675 -7.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.334 8.816 -7.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.289 6.661 -9.171 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.606 8.707 -8.827 1.00 0.00 H new ATOM 574 N HIS A 37 -12.997 0.455 -7.092 1.00 0.00 N ATOM 575 CA HIS A 37 -12.424 -0.859 -7.373 1.00 0.00 C ATOM 576 C HIS A 37 -11.298 -0.695 -8.388 1.00 0.00 C ATOM 577 O HIS A 37 -11.491 -0.060 -9.436 1.00 0.00 O ATOM 578 CB HIS A 37 -13.517 -1.835 -7.896 1.00 0.00 C ATOM 579 CG HIS A 37 -14.248 -1.391 -9.146 1.00 0.00 C ATOM 580 ND1 HIS A 37 -14.022 -1.935 -10.393 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.199 -0.444 -9.327 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.792 -1.338 -11.280 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.515 -0.427 -10.664 1.00 0.00 N ATOM 0 H HIS A 37 -12.944 1.098 -7.882 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.021 -1.289 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.052 -2.801 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.250 -1.989 -7.104 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.361 -2.684 -10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.630 0.183 -8.561 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.824 -1.559 -12.337 1.00 0.00 H new ATOM 592 N THR A 38 -10.111 -1.229 -8.067 1.00 0.00 N ATOM 593 CA THR A 38 -8.955 -1.160 -8.954 1.00 0.00 C ATOM 594 C THR A 38 -9.127 -2.184 -10.089 1.00 0.00 C ATOM 595 O THR A 38 -8.949 -3.394 -9.900 1.00 0.00 O ATOM 596 CB THR A 38 -7.620 -1.367 -8.170 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.532 -0.400 -7.113 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.387 -1.211 -9.069 1.00 0.00 C ATOM 0 H THR A 38 -9.932 -1.717 -7.189 1.00 0.00 H new ATOM 0 HA THR A 38 -8.897 -0.164 -9.393 1.00 0.00 H new ATOM 0 HB THR A 38 -7.632 -2.383 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.576 -0.857 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.484 -1.364 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.425 -1.949 -9.870 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.374 -0.209 -9.498 1.00 0.00 H new ATOM 606 N THR A 39 -9.513 -1.660 -11.258 1.00 0.00 N ATOM 607 CA THR A 39 -9.899 -2.452 -12.429 1.00 0.00 C ATOM 608 C THR A 39 -8.680 -2.829 -13.289 1.00 0.00 C ATOM 609 O THR A 39 -8.752 -3.773 -14.083 1.00 0.00 O ATOM 610 CB THR A 39 -10.962 -1.670 -13.277 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.411 -2.460 -14.390 1.00 0.00 O ATOM 612 CG2 THR A 39 -10.425 -0.318 -13.788 1.00 0.00 C ATOM 0 H THR A 39 -9.566 -0.654 -11.418 1.00 0.00 H new ATOM 0 HA THR A 39 -10.342 -3.383 -12.077 1.00 0.00 H new ATOM 0 HB THR A 39 -11.801 -1.468 -12.612 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.074 -1.954 -14.904 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.198 0.184 -14.369 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.145 0.307 -12.940 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.551 -0.488 -14.417 1.00 0.00 H new ATOM 620 N GLY A 40 -7.557 -2.113 -13.098 1.00 0.00 N ATOM 621 CA GLY A 40 -6.345 -2.330 -13.890 1.00 0.00 C ATOM 622 C GLY A 40 -5.084 -2.026 -13.097 1.00 0.00 C ATOM 623 O GLY A 40 -4.528 -0.931 -13.203 1.00 0.00 O ATOM 0 H GLY A 40 -7.470 -1.377 -12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.317 -3.364 -14.233 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.375 -1.700 -14.779 1.00 0.00 H new ATOM 627 N SER A 41 -4.613 -3.008 -12.316 1.00 0.00 N ATOM 628 CA SER A 41 -3.439 -2.858 -11.443 1.00 0.00 C ATOM 629 C SER A 41 -2.242 -3.598 -12.029 1.00 0.00 C ATOM 630 O SER A 41 -2.184 -4.825 -11.953 1.00 0.00 O ATOM 631 CB SER A 41 -3.734 -3.405 -10.028 1.00 0.00 C ATOM 632 OG SER A 41 -2.594 -3.333 -9.175 1.00 0.00 O ATOM 0 H SER A 41 -5.038 -3.934 -12.271 1.00 0.00 H new ATOM 0 HA SER A 41 -3.209 -1.795 -11.372 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.554 -2.839 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.065 -4.441 -10.102 1.00 0.00 H new ATOM 0 HG SER A 41 -2.539 -2.439 -8.777 1.00 0.00 H new ATOM 638 N ARG A 42 -1.300 -2.868 -12.641 1.00 0.00 N ATOM 639 CA ARG A 42 0.037 -3.409 -12.917 1.00 0.00 C ATOM 640 C ARG A 42 0.841 -3.392 -11.611 1.00 0.00 C ATOM 641 O ARG A 42 0.761 -2.430 -10.840 1.00 0.00 O ATOM 642 CB ARG A 42 0.778 -2.603 -14.016 1.00 0.00 C ATOM 643 CG ARG A 42 2.272 -2.976 -14.205 1.00 0.00 C ATOM 644 CD ARG A 42 2.489 -4.411 -14.712 1.00 0.00 C ATOM 645 NE ARG A 42 2.133 -4.558 -16.142 1.00 0.00 N ATOM 646 CZ ARG A 42 2.970 -4.969 -17.111 1.00 0.00 C ATOM 647 NH1 ARG A 42 4.232 -5.292 -16.825 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.539 -5.049 -18.364 1.00 0.00 N ATOM 0 H ARG A 42 -1.438 -1.907 -12.953 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.067 -4.427 -13.292 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.260 -2.748 -14.964 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.711 -1.542 -13.775 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.726 -2.278 -14.909 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.792 -2.853 -13.255 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.532 -4.692 -14.568 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.889 -5.100 -14.117 1.00 0.00 H new ATOM 0 HE ARG A 42 1.177 -4.329 -16.414 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.570 -5.228 -15.865 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.860 -5.603 -17.567 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.576 -4.799 -18.589 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.171 -5.360 -19.102 1.00 0.00 H new ATOM 662 N VAL A 43 1.554 -4.490 -11.349 1.00 0.00 N ATOM 663 CA VAL A 43 2.534 -4.614 -10.269 1.00 0.00 C ATOM 664 C VAL A 43 3.683 -5.482 -10.798 1.00 0.00 C ATOM 665 O VAL A 43 3.472 -6.660 -11.113 1.00 0.00 O ATOM 666 CB VAL A 43 1.937 -5.286 -8.958 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.015 -5.474 -7.860 1.00 0.00 C ATOM 668 CG2 VAL A 43 0.716 -4.511 -8.398 1.00 0.00 C ATOM 0 H VAL A 43 1.462 -5.343 -11.900 1.00 0.00 H new ATOM 0 HA VAL A 43 2.862 -3.614 -9.984 1.00 0.00 H new ATOM 0 HB VAL A 43 1.587 -6.273 -9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.563 -5.936 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.812 -6.115 -8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.429 -4.503 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.347 -5.012 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.015 -3.493 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.073 -4.483 -9.150 1.00 0.00 H new ATOM 678 N ASP A 44 4.864 -4.881 -10.974 1.00 0.00 N ATOM 679 CA ASP A 44 6.116 -5.609 -11.184 1.00 0.00 C ATOM 680 C ASP A 44 6.952 -5.413 -9.925 1.00 0.00 C ATOM 681 O ASP A 44 7.762 -4.486 -9.856 1.00 0.00 O ATOM 682 CB ASP A 44 6.878 -5.114 -12.451 1.00 0.00 C ATOM 683 CG ASP A 44 6.112 -5.312 -13.769 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.777 -6.474 -14.118 1.00 0.00 O ATOM 685 OD2 ASP A 44 5.832 -4.318 -14.470 1.00 0.00 O ATOM 0 H ASP A 44 4.977 -3.867 -10.974 1.00 0.00 H new ATOM 0 HA ASP A 44 5.913 -6.665 -11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.106 -4.055 -12.333 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.831 -5.640 -12.516 1.00 0.00 H new ATOM 690 N LEU A 45 6.684 -6.241 -8.893 1.00 0.00 N ATOM 691 CA LEU A 45 7.308 -6.104 -7.567 1.00 0.00 C ATOM 692 C LEU A 45 8.768 -6.607 -7.592 1.00 0.00 C ATOM 693 O LEU A 45 9.088 -7.703 -7.120 1.00 0.00 O ATOM 694 CB LEU A 45 6.457 -6.827 -6.482 1.00 0.00 C ATOM 695 CG LEU A 45 6.933 -6.643 -4.999 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.050 -5.158 -4.627 1.00 0.00 C ATOM 697 CD2 LEU A 45 6.002 -7.377 -4.014 1.00 0.00 C ATOM 0 H LEU A 45 6.030 -7.021 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 45 7.338 -5.047 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.429 -6.473 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.445 -7.893 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 45 7.925 -7.089 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.382 -5.067 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.773 -4.674 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.078 -4.677 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.361 -7.229 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.991 -6.980 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.995 -8.442 -4.245 1.00 0.00 H new ATOM 709 N VAL A 46 9.617 -5.797 -8.229 1.00 0.00 N ATOM 710 CA VAL A 46 11.061 -5.992 -8.367 1.00 0.00 C ATOM 711 C VAL A 46 11.725 -4.615 -8.264 1.00 0.00 C ATOM 712 O VAL A 46 11.052 -3.577 -8.402 1.00 0.00 O ATOM 713 CB VAL A 46 11.461 -6.677 -9.739 1.00 0.00 C ATOM 714 CG1 VAL A 46 10.911 -8.116 -9.844 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.009 -5.824 -10.956 1.00 0.00 C ATOM 0 H VAL A 46 9.298 -4.943 -8.686 1.00 0.00 H new ATOM 0 HA VAL A 46 11.398 -6.664 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 46 12.549 -6.737 -9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.207 -8.550 -10.799 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.314 -8.720 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.823 -8.096 -9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.300 -6.325 -11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.926 -5.704 -10.934 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.483 -4.844 -10.910 1.00 0.00 H new ATOM 725 N VAL A 47 13.042 -4.597 -8.033 1.00 0.00 N ATOM 726 CA VAL A 47 13.805 -3.347 -7.944 1.00 0.00 C ATOM 727 C VAL A 47 13.929 -2.745 -9.359 1.00 0.00 C ATOM 728 O VAL A 47 14.677 -3.264 -10.196 1.00 0.00 O ATOM 729 CB VAL A 47 15.224 -3.581 -7.303 1.00 0.00 C ATOM 730 CG1 VAL A 47 15.964 -2.242 -7.053 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.106 -4.420 -6.008 1.00 0.00 C ATOM 0 H VAL A 47 13.604 -5.438 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 47 13.278 -2.650 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 47 15.826 -4.147 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.940 -2.443 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.096 -1.717 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.377 -1.623 -6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.097 -4.571 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.477 -3.894 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.660 -5.387 -6.240 1.00 0.00 H new ATOM 741 N GLY A 48 13.128 -1.698 -9.614 1.00 0.00 N ATOM 742 CA GLY A 48 13.055 -1.044 -10.927 1.00 0.00 C ATOM 743 C GLY A 48 11.733 -1.283 -11.635 1.00 0.00 C ATOM 744 O GLY A 48 11.407 -0.563 -12.580 1.00 0.00 O ATOM 0 H GLY A 48 12.513 -1.282 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.205 0.028 -10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.868 -1.409 -11.554 1.00 0.00 H new ATOM 748 N GLY A 49 10.961 -2.282 -11.173 1.00 0.00 N ATOM 749 CA GLY A 49 9.666 -2.611 -11.778 1.00 0.00 C ATOM 750 C GLY A 49 8.601 -1.567 -11.499 1.00 0.00 C ATOM 751 O GLY A 49 8.658 -0.875 -10.483 1.00 0.00 O ATOM 0 H GLY A 49 11.215 -2.874 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.791 -2.716 -12.856 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.329 -3.576 -11.400 1.00 0.00 H new ATOM 755 N ARG A 50 7.639 -1.436 -12.419 1.00 0.00 N ATOM 756 CA ARG A 50 6.620 -0.371 -12.376 1.00 0.00 C ATOM 757 C ARG A 50 5.307 -0.913 -11.814 1.00 0.00 C ATOM 758 O ARG A 50 5.015 -2.108 -11.931 1.00 0.00 O ATOM 759 CB ARG A 50 6.363 0.245 -13.793 1.00 0.00 C ATOM 760 CG ARG A 50 7.609 0.804 -14.537 1.00 0.00 C ATOM 761 CD ARG A 50 8.527 -0.302 -15.099 1.00 0.00 C ATOM 762 NE ARG A 50 7.773 -1.271 -15.931 1.00 0.00 N ATOM 763 CZ ARG A 50 8.132 -2.549 -16.187 1.00 0.00 C ATOM 764 NH1 ARG A 50 9.255 -3.066 -15.694 1.00 0.00 N ATOM 765 NH2 ARG A 50 7.338 -3.315 -16.923 1.00 0.00 N ATOM 0 H ARG A 50 7.541 -2.064 -13.217 1.00 0.00 H new ATOM 0 HA ARG A 50 7.002 0.415 -11.725 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.904 -0.519 -14.420 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.636 1.051 -13.689 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.279 1.444 -15.355 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.182 1.430 -13.853 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.319 0.151 -15.696 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.009 -0.828 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 50 6.902 -0.943 -16.349 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.866 -2.495 -15.109 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.505 -4.033 -15.901 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.464 -2.939 -17.291 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.601 -4.280 -17.121 1.00 0.00 H new ATOM 779 N PHE A 51 4.519 -0.022 -11.203 1.00 0.00 N ATOM 780 CA PHE A 51 3.135 -0.314 -10.793 1.00 0.00 C ATOM 781 C PHE A 51 2.209 0.798 -11.297 1.00 0.00 C ATOM 782 O PHE A 51 2.647 1.942 -11.483 1.00 0.00 O ATOM 783 CB PHE A 51 3.011 -0.463 -9.247 1.00 0.00 C ATOM 784 CG PHE A 51 3.226 0.827 -8.446 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.500 1.263 -8.113 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.140 1.607 -8.031 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.688 2.430 -7.403 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.330 2.772 -7.318 1.00 0.00 C ATOM 789 CZ PHE A 51 3.606 3.186 -7.006 1.00 0.00 C ATOM 0 H PHE A 51 4.821 0.926 -10.977 1.00 0.00 H new ATOM 0 HA PHE A 51 2.841 -1.266 -11.235 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.021 -0.855 -9.014 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.735 -1.205 -8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.358 0.680 -8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.136 1.291 -8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.689 2.753 -7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.479 3.359 -7.005 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.758 4.100 -6.452 1.00 0.00 H new ATOM 799 N CYS A 52 0.935 0.459 -11.502 1.00 0.00 N ATOM 800 CA CYS A 52 -0.106 1.433 -11.820 1.00 0.00 C ATOM 801 C CYS A 52 -1.463 0.893 -11.354 1.00 0.00 C ATOM 802 O CYS A 52 -2.009 -0.029 -11.953 1.00 0.00 O ATOM 803 CB CYS A 52 -0.101 1.744 -13.338 1.00 0.00 C ATOM 804 SG CYS A 52 -0.503 0.362 -14.419 1.00 0.00 S ATOM 0 H CYS A 52 0.597 -0.502 -11.452 1.00 0.00 H new ATOM 0 HA CYS A 52 0.088 2.369 -11.296 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.812 2.548 -13.528 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.886 2.119 -13.610 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.534 -0.273 -13.946 1.00 0.00 H new ATOM 810 N HIS A 53 -2.003 1.459 -10.260 1.00 0.00 N ATOM 811 CA HIS A 53 -3.257 0.986 -9.655 1.00 0.00 C ATOM 812 C HIS A 53 -4.418 1.814 -10.205 1.00 0.00 C ATOM 813 O HIS A 53 -4.777 2.843 -9.632 1.00 0.00 O ATOM 814 CB HIS A 53 -3.202 1.090 -8.108 1.00 0.00 C ATOM 815 CG HIS A 53 -2.033 0.368 -7.491 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.786 -0.971 -7.693 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.018 0.816 -6.717 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.675 -1.313 -7.077 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.188 -0.253 -6.473 1.00 0.00 N ATOM 0 H HIS A 53 -1.584 2.252 -9.774 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.402 -0.064 -9.910 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.158 2.142 -7.825 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.126 0.687 -7.693 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.884 1.826 -6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.237 -2.300 -7.069 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.665 -0.227 -5.915 1.00 0.00 H new ATOM 828 N HIS A 54 -4.959 1.378 -11.354 1.00 0.00 N ATOM 829 CA HIS A 54 -6.055 2.083 -12.038 1.00 0.00 C ATOM 830 C HIS A 54 -7.384 1.702 -11.401 1.00 0.00 C ATOM 831 O HIS A 54 -7.852 0.575 -11.549 1.00 0.00 O ATOM 832 CB HIS A 54 -6.035 1.811 -13.559 1.00 0.00 C ATOM 833 CG HIS A 54 -4.814 2.391 -14.239 1.00 0.00 C ATOM 834 ND1 HIS A 54 -4.822 3.584 -14.939 1.00 0.00 N ATOM 835 CD2 HIS A 54 -3.532 1.954 -14.283 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.607 3.845 -15.377 1.00 0.00 C ATOM 837 NE2 HIS A 54 -2.807 2.873 -14.996 1.00 0.00 N ATOM 0 H HIS A 54 -4.651 0.532 -11.833 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.918 3.158 -11.918 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.066 0.735 -13.732 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.933 2.233 -14.011 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -5.642 4.171 -15.092 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.151 1.047 -13.837 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.317 4.712 -15.952 1.00 0.00 H new ATOM 846 N MET A 55 -7.982 2.679 -10.723 1.00 0.00 N ATOM 847 CA MET A 55 -9.140 2.487 -9.847 1.00 0.00 C ATOM 848 C MET A 55 -10.289 3.340 -10.379 1.00 0.00 C ATOM 849 O MET A 55 -10.068 4.419 -10.929 1.00 0.00 O ATOM 850 CB MET A 55 -8.743 2.868 -8.392 1.00 0.00 C ATOM 851 CG MET A 55 -9.837 2.699 -7.333 1.00 0.00 C ATOM 852 SD MET A 55 -9.332 3.315 -5.703 1.00 0.00 S ATOM 853 CE MET A 55 -8.904 5.026 -6.065 1.00 0.00 C ATOM 0 H MET A 55 -7.669 3.649 -10.767 1.00 0.00 H new ATOM 0 HA MET A 55 -9.466 1.447 -9.835 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.885 2.262 -8.100 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.416 3.908 -8.386 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.734 3.228 -7.655 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.100 1.644 -7.253 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.302 5.674 -5.284 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.820 5.129 -6.104 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.331 5.312 -7.026 1.00 0.00 H new ATOM 863 N ALA A 56 -11.514 2.837 -10.248 1.00 0.00 N ATOM 864 CA ALA A 56 -12.710 3.486 -10.789 1.00 0.00 C ATOM 865 C ALA A 56 -13.896 3.221 -9.883 1.00 0.00 C ATOM 866 O ALA A 56 -13.913 2.229 -9.164 1.00 0.00 O ATOM 867 CB ALA A 56 -12.990 2.967 -12.205 1.00 0.00 C ATOM 0 H ALA A 56 -11.708 1.962 -9.761 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.543 4.562 -10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.881 3.454 -12.601 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.139 3.188 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.150 1.889 -12.173 1.00 0.00 H new ATOM 873 N ALA A 57 -14.868 4.128 -9.908 1.00 0.00 N ATOM 874 CA ALA A 57 -16.158 3.936 -9.245 1.00 0.00 C ATOM 875 C ALA A 57 -16.960 2.825 -9.942 1.00 0.00 C ATOM 876 O ALA A 57 -16.803 2.596 -11.152 1.00 0.00 O ATOM 877 CB ALA A 57 -16.955 5.248 -9.231 1.00 0.00 C ATOM 0 H ALA A 57 -14.784 5.023 -10.391 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.975 3.634 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.912 5.087 -8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.391 6.011 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.129 5.579 -10.255 1.00 0.00 H new ATOM 883 N LYS A 58 -17.811 2.135 -9.175 1.00 0.00 N ATOM 884 CA LYS A 58 -18.719 1.109 -9.715 1.00 0.00 C ATOM 885 C LYS A 58 -19.833 1.768 -10.534 1.00 0.00 C ATOM 886 O LYS A 58 -20.449 1.129 -11.388 1.00 0.00 O ATOM 887 CB LYS A 58 -19.290 0.228 -8.578 1.00 0.00 C ATOM 888 CG LYS A 58 -20.082 0.989 -7.491 1.00 0.00 C ATOM 889 CD LYS A 58 -20.586 0.044 -6.382 1.00 0.00 C ATOM 890 CE LYS A 58 -21.366 0.765 -5.271 1.00 0.00 C ATOM 891 NZ LYS A 58 -21.849 -0.185 -4.228 1.00 0.00 N ATOM 0 H LYS A 58 -17.892 2.269 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.156 0.454 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.941 -0.527 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.465 -0.301 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.448 1.759 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.931 1.497 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.225 -0.718 -6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.734 -0.473 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.728 1.518 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.216 1.290 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.370 0.339 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.478 -0.889 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.036 -0.668 -3.795 1.00 0.00 H new ATOM 905 N ASP A 59 -20.049 3.074 -10.270 1.00 0.00 N ATOM 906 CA ASP A 59 -20.974 3.927 -11.018 1.00 0.00 C ATOM 907 C ASP A 59 -20.407 4.205 -12.429 1.00 0.00 C ATOM 908 O ASP A 59 -21.169 4.465 -13.359 1.00 0.00 O ATOM 909 CB ASP A 59 -21.194 5.257 -10.253 1.00 0.00 C ATOM 910 CG ASP A 59 -21.673 5.060 -8.805 1.00 0.00 C ATOM 911 OD1 ASP A 59 -20.836 4.756 -7.918 1.00 0.00 O ATOM 912 OD2 ASP A 59 -22.887 5.193 -8.541 1.00 0.00 O ATOM 0 H ASP A 59 -19.572 3.567 -9.515 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.932 3.418 -11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.261 5.821 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.926 5.859 -10.791 1.00 0.00 H new ATOM 917 N GLY A 60 -19.058 4.162 -12.567 1.00 0.00 N ATOM 918 CA GLY A 60 -18.390 4.173 -13.881 1.00 0.00 C ATOM 919 C GLY A 60 -17.493 5.390 -14.112 1.00 0.00 C ATOM 920 O GLY A 60 -16.265 5.258 -14.145 1.00 0.00 O ATOM 0 H GLY A 60 -18.414 4.119 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.790 3.268 -13.980 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.148 4.140 -14.663 1.00 0.00 H new ATOM 924 N SER A 61 -18.123 6.579 -14.240 1.00 0.00 N ATOM 925 CA SER A 61 -17.478 7.815 -14.767 1.00 0.00 C ATOM 926 C SER A 61 -16.244 8.252 -13.948 1.00 0.00 C ATOM 927 O SER A 61 -15.205 8.597 -14.523 1.00 0.00 O ATOM 928 CB SER A 61 -18.510 8.969 -14.817 1.00 0.00 C ATOM 929 OG SER A 61 -17.980 10.149 -15.414 1.00 0.00 O ATOM 0 H SER A 61 -19.100 6.715 -13.980 1.00 0.00 H new ATOM 0 HA SER A 61 -17.124 7.581 -15.771 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.387 8.644 -15.378 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.845 9.197 -13.805 1.00 0.00 H new ATOM 0 HG SER A 61 -18.667 10.847 -15.424 1.00 0.00 H new ATOM 935 N ALA A 62 -16.371 8.227 -12.616 1.00 0.00 N ATOM 936 CA ALA A 62 -15.295 8.635 -11.699 1.00 0.00 C ATOM 937 C ALA A 62 -14.148 7.612 -11.737 1.00 0.00 C ATOM 938 O ALA A 62 -14.382 6.415 -11.574 1.00 0.00 O ATOM 939 CB ALA A 62 -15.845 8.792 -10.277 1.00 0.00 C ATOM 0 H ALA A 62 -17.222 7.924 -12.142 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.900 9.599 -12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.040 9.094 -9.607 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.627 9.552 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.260 7.842 -9.940 1.00 0.00 H new ATOM 945 N GLY A 63 -12.927 8.093 -12.008 1.00 0.00 N ATOM 946 CA GLY A 63 -11.733 7.251 -12.020 1.00 0.00 C ATOM 947 C GLY A 63 -10.516 8.006 -11.510 1.00 0.00 C ATOM 948 O GLY A 63 -10.389 9.211 -11.743 1.00 0.00 O ATOM 0 H GLY A 63 -12.744 9.073 -12.224 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.902 6.369 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.545 6.898 -13.034 1.00 0.00 H new ATOM 952 N PHE A 64 -9.629 7.298 -10.808 1.00 0.00 N ATOM 953 CA PHE A 64 -8.377 7.844 -10.269 1.00 0.00 C ATOM 954 C PHE A 64 -7.374 6.698 -10.106 1.00 0.00 C ATOM 955 O PHE A 64 -7.754 5.596 -9.709 1.00 0.00 O ATOM 956 CB PHE A 64 -8.621 8.570 -8.917 1.00 0.00 C ATOM 957 CG PHE A 64 -7.381 9.269 -8.356 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.732 10.261 -9.093 1.00 0.00 C ATOM 959 CD2 PHE A 64 -6.871 8.944 -7.100 1.00 0.00 C ATOM 960 CE1 PHE A 64 -5.617 10.905 -8.592 1.00 0.00 C ATOM 961 CE2 PHE A 64 -5.754 9.587 -6.602 1.00 0.00 C ATOM 962 CZ PHE A 64 -5.128 10.567 -7.349 1.00 0.00 C ATOM 0 H PHE A 64 -9.761 6.310 -10.593 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.975 8.584 -10.960 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -9.413 9.307 -9.049 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.979 7.845 -8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.107 10.529 -10.070 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.355 8.180 -6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.129 11.673 -9.174 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.370 9.323 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.255 11.068 -6.958 1.00 0.00 H new ATOM 972 N ASP A 65 -6.089 6.957 -10.401 1.00 0.00 N ATOM 973 CA ASP A 65 -5.055 5.906 -10.419 1.00 0.00 C ATOM 974 C ASP A 65 -3.737 6.379 -9.801 1.00 0.00 C ATOM 975 O ASP A 65 -3.440 7.578 -9.779 1.00 0.00 O ATOM 976 CB ASP A 65 -4.836 5.399 -11.864 1.00 0.00 C ATOM 977 CG ASP A 65 -4.381 6.481 -12.848 1.00 0.00 C ATOM 978 OD1 ASP A 65 -5.230 7.267 -13.318 1.00 0.00 O ATOM 979 OD2 ASP A 65 -3.176 6.547 -13.160 1.00 0.00 O ATOM 0 H ASP A 65 -5.740 7.887 -10.631 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.413 5.081 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.092 4.602 -11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.765 4.961 -12.228 1.00 0.00 H new ATOM 984 N PHE A 66 -2.960 5.398 -9.303 1.00 0.00 N ATOM 985 CA PHE A 66 -1.658 5.620 -8.653 1.00 0.00 C ATOM 986 C PHE A 66 -0.559 4.900 -9.461 1.00 0.00 C ATOM 987 O PHE A 66 -0.331 3.699 -9.263 1.00 0.00 O ATOM 988 CB PHE A 66 -1.679 5.083 -7.187 1.00 0.00 C ATOM 989 CG PHE A 66 -2.763 5.686 -6.280 1.00 0.00 C ATOM 990 CD1 PHE A 66 -4.038 5.114 -6.200 1.00 0.00 C ATOM 991 CD2 PHE A 66 -2.504 6.810 -5.496 1.00 0.00 C ATOM 992 CE1 PHE A 66 -5.009 5.650 -5.369 1.00 0.00 C ATOM 993 CE2 PHE A 66 -3.476 7.347 -4.668 1.00 0.00 C ATOM 994 CZ PHE A 66 -4.727 6.764 -4.603 1.00 0.00 C ATOM 0 H PHE A 66 -3.225 4.414 -9.343 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.452 6.690 -8.624 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.814 4.002 -7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.705 5.271 -6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.268 4.242 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.528 7.270 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.988 5.196 -5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.256 8.221 -4.073 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.484 7.179 -3.954 1.00 0.00 H new ATOM 1004 N THR A 67 0.073 5.612 -10.414 1.00 0.00 N ATOM 1005 CA THR A 67 1.212 5.065 -11.192 1.00 0.00 C ATOM 1006 C THR A 67 2.533 5.374 -10.465 1.00 0.00 C ATOM 1007 O THR A 67 2.589 6.309 -9.662 1.00 0.00 O ATOM 1008 CB THR A 67 1.256 5.649 -12.650 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.418 7.069 -12.611 1.00 0.00 O ATOM 1010 CG2 THR A 67 -0.020 5.333 -13.448 1.00 0.00 C ATOM 0 H THR A 67 -0.182 6.567 -10.667 1.00 0.00 H new ATOM 0 HA THR A 67 1.076 3.986 -11.271 1.00 0.00 H new ATOM 0 HB THR A 67 2.103 5.176 -13.146 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.264 7.391 -11.698 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.062 5.759 -14.448 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.144 4.253 -13.523 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.883 5.763 -12.940 1.00 0.00 H new ATOM 1018 N GLY A 68 3.589 4.599 -10.755 1.00 0.00 N ATOM 1019 CA GLY A 68 4.902 4.806 -10.143 1.00 0.00 C ATOM 1020 C GLY A 68 5.871 3.674 -10.438 1.00 0.00 C ATOM 1021 O GLY A 68 5.654 2.889 -11.370 1.00 0.00 O ATOM 0 H GLY A 68 3.554 3.821 -11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.324 5.743 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.784 4.906 -9.064 1.00 0.00 H new ATOM 1025 N THR A 69 6.954 3.595 -9.639 1.00 0.00 N ATOM 1026 CA THR A 69 8.003 2.563 -9.777 1.00 0.00 C ATOM 1027 C THR A 69 8.570 2.172 -8.389 1.00 0.00 C ATOM 1028 O THR A 69 8.808 3.047 -7.543 1.00 0.00 O ATOM 1029 CB THR A 69 9.162 3.076 -10.709 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.650 3.313 -12.030 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.347 2.100 -10.806 1.00 0.00 C ATOM 0 H THR A 69 7.127 4.249 -8.875 1.00 0.00 H new ATOM 0 HA THR A 69 7.554 1.680 -10.231 1.00 0.00 H new ATOM 0 HB THR A 69 9.535 3.995 -10.258 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.373 3.634 -12.608 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.109 2.517 -11.464 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.771 1.943 -9.814 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.002 1.148 -11.208 1.00 0.00 H new ATOM 1039 N PHE A 70 8.762 0.850 -8.166 1.00 0.00 N ATOM 1040 CA PHE A 70 9.404 0.307 -6.956 1.00 0.00 C ATOM 1041 C PHE A 70 10.901 0.665 -6.947 1.00 0.00 C ATOM 1042 O PHE A 70 11.670 0.191 -7.792 1.00 0.00 O ATOM 1043 CB PHE A 70 9.203 -1.228 -6.862 1.00 0.00 C ATOM 1044 CG PHE A 70 7.731 -1.656 -6.810 1.00 0.00 C ATOM 1045 CD1 PHE A 70 6.997 -1.553 -5.630 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.078 -2.150 -7.937 1.00 0.00 C ATOM 1047 CE1 PHE A 70 5.664 -1.923 -5.581 1.00 0.00 C ATOM 1048 CE2 PHE A 70 5.751 -2.527 -7.888 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.041 -2.411 -6.709 1.00 0.00 C ATOM 0 H PHE A 70 8.472 0.130 -8.828 1.00 0.00 H new ATOM 0 HA PHE A 70 8.933 0.757 -6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.679 -1.701 -7.721 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.711 -1.598 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.477 -1.178 -4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.620 -2.240 -8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.112 -1.829 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.267 -2.913 -8.773 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.002 -2.702 -6.671 1.00 0.00 H new ATOM 1059 N THR A 71 11.287 1.521 -5.990 1.00 0.00 N ATOM 1060 CA THR A 71 12.637 2.110 -5.913 1.00 0.00 C ATOM 1061 C THR A 71 13.582 1.282 -5.029 1.00 0.00 C ATOM 1062 O THR A 71 14.804 1.452 -5.106 1.00 0.00 O ATOM 1063 CB THR A 71 12.543 3.582 -5.400 1.00 0.00 C ATOM 1064 OG1 THR A 71 11.734 3.627 -4.204 1.00 0.00 O ATOM 1065 CG2 THR A 71 11.936 4.514 -6.469 1.00 0.00 C ATOM 0 H THR A 71 10.668 1.828 -5.240 1.00 0.00 H new ATOM 0 HA THR A 71 13.062 2.105 -6.917 1.00 0.00 H new ATOM 0 HB THR A 71 13.553 3.929 -5.181 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.677 4.551 -3.882 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.885 5.531 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.561 4.499 -7.362 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.933 4.172 -6.722 1.00 0.00 H new ATOM 1073 N ARG A 72 13.015 0.389 -4.200 1.00 0.00 N ATOM 1074 CA ARG A 72 13.796 -0.495 -3.317 1.00 0.00 C ATOM 1075 C ARG A 72 12.882 -1.596 -2.758 1.00 0.00 C ATOM 1076 O ARG A 72 11.925 -1.302 -2.055 1.00 0.00 O ATOM 1077 CB ARG A 72 14.415 0.336 -2.145 1.00 0.00 C ATOM 1078 CG ARG A 72 15.313 -0.454 -1.174 1.00 0.00 C ATOM 1079 CD ARG A 72 15.826 0.406 -0.005 1.00 0.00 C ATOM 1080 NE ARG A 72 16.558 1.603 -0.463 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.015 2.597 0.323 1.00 0.00 C ATOM 1082 NH1 ARG A 72 16.838 2.575 1.648 1.00 0.00 N ATOM 1083 NH2 ARG A 72 17.668 3.610 -0.244 1.00 0.00 N ATOM 0 H ARG A 72 12.006 0.260 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 72 14.604 -0.954 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.999 1.152 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.603 0.788 -1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.755 -1.302 -0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.164 -0.860 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.982 0.714 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.480 -0.197 0.626 1.00 0.00 H new ATOM 0 HE ARG A 72 16.734 1.685 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.348 1.794 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.193 3.339 2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.813 3.622 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.023 4.374 0.331 1.00 0.00 H new ATOM 1097 N VAL A 73 13.175 -2.868 -3.072 1.00 0.00 N ATOM 1098 CA VAL A 73 12.417 -4.025 -2.547 1.00 0.00 C ATOM 1099 C VAL A 73 13.342 -4.830 -1.623 1.00 0.00 C ATOM 1100 O VAL A 73 14.292 -5.453 -2.094 1.00 0.00 O ATOM 1101 CB VAL A 73 11.851 -4.945 -3.704 1.00 0.00 C ATOM 1102 CG1 VAL A 73 10.959 -6.085 -3.138 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.085 -4.104 -4.756 1.00 0.00 C ATOM 0 H VAL A 73 13.940 -3.127 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 73 11.553 -3.656 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 73 12.701 -5.412 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.587 -6.698 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.547 -6.704 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.117 -5.653 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.706 -4.760 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.251 -3.593 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.759 -3.367 -5.193 1.00 0.00 H new ATOM 1113 N GLU A 74 13.089 -4.758 -0.302 1.00 0.00 N ATOM 1114 CA GLU A 74 13.874 -5.469 0.727 1.00 0.00 C ATOM 1115 C GLU A 74 13.014 -6.583 1.350 1.00 0.00 C ATOM 1116 O GLU A 74 12.764 -6.585 2.560 1.00 0.00 O ATOM 1117 CB GLU A 74 14.348 -4.466 1.816 1.00 0.00 C ATOM 1118 CG GLU A 74 15.166 -3.265 1.304 1.00 0.00 C ATOM 1119 CD GLU A 74 16.471 -3.676 0.599 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.434 -4.063 1.294 1.00 0.00 O ATOM 1121 OE2 GLU A 74 16.544 -3.618 -0.645 1.00 0.00 O ATOM 0 H GLU A 74 12.328 -4.200 0.085 1.00 0.00 H new ATOM 0 HA GLU A 74 14.754 -5.920 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.472 -4.088 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.949 -5.008 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.554 -2.685 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.404 -2.612 2.143 1.00 0.00 H new ATOM 1128 N ALA A 75 12.596 -7.541 0.521 1.00 0.00 N ATOM 1129 CA ALA A 75 11.650 -8.598 0.912 1.00 0.00 C ATOM 1130 C ALA A 75 12.269 -9.544 1.976 1.00 0.00 C ATOM 1131 O ALA A 75 13.415 -9.975 1.796 1.00 0.00 O ATOM 1132 CB ALA A 75 11.240 -9.378 -0.344 1.00 0.00 C ATOM 0 H ALA A 75 12.904 -7.609 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 75 10.769 -8.144 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.538 -10.166 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.766 -8.701 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.124 -9.822 -0.801 1.00 0.00 H new ATOM 1138 N PRO A 76 11.547 -9.891 3.101 1.00 0.00 N ATOM 1139 CA PRO A 76 10.162 -9.435 3.431 1.00 0.00 C ATOM 1140 C PRO A 76 10.101 -8.269 4.461 1.00 0.00 C ATOM 1141 O PRO A 76 9.021 -7.945 4.978 1.00 0.00 O ATOM 1142 CB PRO A 76 9.590 -10.739 4.036 1.00 0.00 C ATOM 1143 CG PRO A 76 10.734 -11.337 4.811 1.00 0.00 C ATOM 1144 CD PRO A 76 12.021 -10.836 4.153 1.00 0.00 C ATOM 0 HA PRO A 76 9.629 -9.024 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.738 -10.534 4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.242 -11.417 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.692 -11.035 5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.688 -12.426 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.669 -10.338 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.594 -11.657 3.722 1.00 0.00 H new ATOM 1152 N THR A 77 11.262 -7.650 4.739 1.00 0.00 N ATOM 1153 CA THR A 77 11.422 -6.663 5.816 1.00 0.00 C ATOM 1154 C THR A 77 10.819 -5.295 5.458 1.00 0.00 C ATOM 1155 O THR A 77 10.163 -4.661 6.285 1.00 0.00 O ATOM 1156 CB THR A 77 12.939 -6.488 6.148 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.517 -7.772 6.439 1.00 0.00 O ATOM 1158 CG2 THR A 77 13.183 -5.540 7.337 1.00 0.00 C ATOM 0 H THR A 77 12.121 -7.824 4.217 1.00 0.00 H new ATOM 0 HA THR A 77 10.882 -7.043 6.683 1.00 0.00 H new ATOM 0 HB THR A 77 13.410 -6.041 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.469 -7.663 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.254 -5.457 7.522 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.777 -4.555 7.106 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.691 -5.936 8.225 1.00 0.00 H new ATOM 1166 N ARG A 78 11.088 -4.836 4.230 1.00 0.00 N ATOM 1167 CA ARG A 78 10.772 -3.466 3.790 1.00 0.00 C ATOM 1168 C ARG A 78 10.352 -3.444 2.314 1.00 0.00 C ATOM 1169 O ARG A 78 10.647 -4.371 1.544 1.00 0.00 O ATOM 1170 CB ARG A 78 12.013 -2.551 3.974 1.00 0.00 C ATOM 1171 CG ARG A 78 12.413 -2.220 5.432 1.00 0.00 C ATOM 1172 CD ARG A 78 13.712 -1.401 5.507 1.00 0.00 C ATOM 1173 NE ARG A 78 14.040 -0.986 6.885 1.00 0.00 N ATOM 1174 CZ ARG A 78 15.204 -1.204 7.514 1.00 0.00 C ATOM 1175 NH1 ARG A 78 16.200 -1.845 6.903 1.00 0.00 N ATOM 1176 NH2 ARG A 78 15.358 -0.764 8.757 1.00 0.00 N ATOM 0 H ARG A 78 11.533 -5.404 3.509 1.00 0.00 H new ATOM 0 HA ARG A 78 9.945 -3.101 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.864 -3.027 3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.827 -1.614 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.607 -1.664 5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.537 -3.147 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.534 -1.992 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.617 -0.516 4.878 1.00 0.00 H new ATOM 0 HE ARG A 78 13.317 -0.489 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.082 -2.176 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.080 -2.004 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.597 -0.268 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.238 -0.922 9.249 1.00 0.00 H new ATOM 1190 N LEU A 79 9.656 -2.364 1.934 1.00 0.00 N ATOM 1191 CA LEU A 79 9.347 -2.045 0.535 1.00 0.00 C ATOM 1192 C LEU A 79 9.377 -0.523 0.349 1.00 0.00 C ATOM 1193 O LEU A 79 9.060 0.224 1.273 1.00 0.00 O ATOM 1194 CB LEU A 79 7.968 -2.646 0.145 1.00 0.00 C ATOM 1195 CG LEU A 79 7.483 -2.386 -1.315 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.551 -2.808 -2.351 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.130 -3.085 -1.587 1.00 0.00 C ATOM 0 H LEU A 79 9.288 -1.681 2.596 1.00 0.00 H new ATOM 0 HA LEU A 79 10.094 -2.486 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.008 -3.724 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.218 -2.250 0.829 1.00 0.00 H new ATOM 0 HG LEU A 79 7.330 -1.312 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.179 -2.613 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.465 -2.237 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.763 -3.872 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.817 -2.886 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.240 -4.160 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.378 -2.702 -0.897 1.00 0.00 H new ATOM 1209 N SER A 80 9.816 -0.071 -0.827 1.00 0.00 N ATOM 1210 CA SER A 80 9.849 1.349 -1.198 1.00 0.00 C ATOM 1211 C SER A 80 9.387 1.490 -2.651 1.00 0.00 C ATOM 1212 O SER A 80 9.788 0.702 -3.519 1.00 0.00 O ATOM 1213 CB SER A 80 11.278 1.922 -1.069 1.00 0.00 C ATOM 1214 OG SER A 80 11.876 1.532 0.150 1.00 0.00 O ATOM 0 H SER A 80 10.164 -0.688 -1.561 1.00 0.00 H new ATOM 0 HA SER A 80 9.191 1.901 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.888 1.576 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.243 3.010 -1.129 1.00 0.00 H new ATOM 0 HG SER A 80 11.446 2.007 0.892 1.00 0.00 H new ATOM 1220 N PHE A 81 8.563 2.508 -2.907 1.00 0.00 N ATOM 1221 CA PHE A 81 8.082 2.837 -4.241 1.00 0.00 C ATOM 1222 C PHE A 81 7.613 4.286 -4.261 1.00 0.00 C ATOM 1223 O PHE A 81 6.946 4.738 -3.339 1.00 0.00 O ATOM 1224 CB PHE A 81 6.957 1.866 -4.700 1.00 0.00 C ATOM 1225 CG PHE A 81 5.788 1.668 -3.728 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.833 0.682 -2.743 1.00 0.00 C ATOM 1227 CD2 PHE A 81 4.633 2.437 -3.824 1.00 0.00 C ATOM 1228 CE1 PHE A 81 4.767 0.474 -1.891 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.568 2.239 -2.972 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.631 1.252 -2.003 1.00 0.00 C ATOM 0 H PHE A 81 8.209 3.132 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 81 8.900 2.719 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.557 2.230 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.406 0.892 -4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.718 0.070 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.570 3.204 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.821 -0.297 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.684 2.854 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.796 1.091 -1.338 1.00 0.00 H new ATOM 1240 N VAL A 82 7.957 5.003 -5.327 1.00 0.00 N ATOM 1241 CA VAL A 82 7.630 6.427 -5.476 1.00 0.00 C ATOM 1242 C VAL A 82 6.578 6.554 -6.571 1.00 0.00 C ATOM 1243 O VAL A 82 6.684 5.894 -7.611 1.00 0.00 O ATOM 1244 CB VAL A 82 8.904 7.285 -5.811 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.557 8.788 -5.946 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.004 7.066 -4.742 1.00 0.00 C ATOM 0 H VAL A 82 8.472 4.616 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 82 7.241 6.813 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 82 9.287 6.950 -6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.461 9.351 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.830 8.923 -6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.135 9.150 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.878 7.668 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.625 7.363 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.284 6.013 -4.718 1.00 0.00 H new ATOM 1256 N MET A 83 5.559 7.385 -6.323 1.00 0.00 N ATOM 1257 CA MET A 83 4.437 7.584 -7.250 1.00 0.00 C ATOM 1258 C MET A 83 4.720 8.764 -8.198 1.00 0.00 C ATOM 1259 O MET A 83 5.697 9.507 -8.006 1.00 0.00 O ATOM 1260 CB MET A 83 3.119 7.784 -6.450 1.00 0.00 C ATOM 1261 CG MET A 83 2.666 6.540 -5.670 1.00 0.00 C ATOM 1262 SD MET A 83 1.074 6.751 -4.838 1.00 0.00 S ATOM 1263 CE MET A 83 0.789 5.104 -4.166 1.00 0.00 C ATOM 0 H MET A 83 5.488 7.941 -5.471 1.00 0.00 H new ATOM 0 HA MET A 83 4.320 6.695 -7.870 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.252 8.610 -5.751 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.328 8.075 -7.141 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.600 5.695 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.424 6.290 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.036 5.157 -3.380 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.440 4.443 -4.959 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.719 4.714 -3.752 1.00 0.00 H new ATOM 1273 N ASP A 84 3.845 8.938 -9.206 1.00 0.00 N ATOM 1274 CA ASP A 84 4.047 9.889 -10.336 1.00 0.00 C ATOM 1275 C ASP A 84 4.031 11.373 -9.898 1.00 0.00 C ATOM 1276 O ASP A 84 4.585 12.232 -10.592 1.00 0.00 O ATOM 1277 CB ASP A 84 2.968 9.645 -11.422 1.00 0.00 C ATOM 1278 CG ASP A 84 1.534 9.845 -10.896 1.00 0.00 C ATOM 1279 OD1 ASP A 84 0.978 8.906 -10.273 1.00 0.00 O ATOM 1280 OD2 ASP A 84 0.968 10.944 -11.082 1.00 0.00 O ATOM 0 H ASP A 84 2.967 8.422 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 84 5.041 9.696 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.141 10.323 -12.258 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.070 8.631 -11.808 1.00 0.00 H new ATOM 1285 N ASP A 85 3.402 11.661 -8.747 1.00 0.00 N ATOM 1286 CA ASP A 85 3.314 13.032 -8.188 1.00 0.00 C ATOM 1287 C ASP A 85 4.528 13.322 -7.262 1.00 0.00 C ATOM 1288 O ASP A 85 4.577 14.345 -6.568 1.00 0.00 O ATOM 1289 CB ASP A 85 1.952 13.177 -7.441 1.00 0.00 C ATOM 1290 CG ASP A 85 1.623 14.590 -6.905 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.938 15.595 -7.577 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.989 14.699 -5.831 1.00 0.00 O ATOM 0 H ASP A 85 2.939 10.956 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 85 3.351 13.771 -8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.154 12.871 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.943 12.480 -6.603 1.00 0.00 H new ATOM 1297 N GLY A 86 5.517 12.404 -7.269 1.00 0.00 N ATOM 1298 CA GLY A 86 6.743 12.549 -6.477 1.00 0.00 C ATOM 1299 C GLY A 86 6.591 12.065 -5.038 1.00 0.00 C ATOM 1300 O GLY A 86 7.540 12.140 -4.253 1.00 0.00 O ATOM 0 H GLY A 86 5.483 11.548 -7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.546 11.991 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.042 13.597 -6.471 1.00 0.00 H new ATOM 1304 N ARG A 87 5.395 11.563 -4.692 1.00 0.00 N ATOM 1305 CA ARG A 87 5.083 11.117 -3.329 1.00 0.00 C ATOM 1306 C ARG A 87 5.711 9.748 -3.087 1.00 0.00 C ATOM 1307 O ARG A 87 5.270 8.750 -3.671 1.00 0.00 O ATOM 1308 CB ARG A 87 3.546 11.074 -3.101 1.00 0.00 C ATOM 1309 CG ARG A 87 2.809 12.352 -3.547 1.00 0.00 C ATOM 1310 CD ARG A 87 3.367 13.641 -2.909 1.00 0.00 C ATOM 1311 NE ARG A 87 2.769 14.839 -3.515 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.299 16.074 -3.518 1.00 0.00 C ATOM 1313 NH1 ARG A 87 4.468 16.322 -2.931 1.00 0.00 N ATOM 1314 NH2 ARG A 87 2.645 17.055 -4.126 1.00 0.00 N ATOM 0 H ARG A 87 4.621 11.456 -5.348 1.00 0.00 H new ATOM 0 HA ARG A 87 5.500 11.828 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.133 10.222 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.351 10.906 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.871 12.437 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.753 12.259 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.167 13.635 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.450 13.671 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 87 1.867 14.722 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.977 15.568 -2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.855 17.266 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.753 16.867 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.034 17.998 -4.137 1.00 0.00 H new ATOM 1328 N GLU A 88 6.757 9.728 -2.253 1.00 0.00 N ATOM 1329 CA GLU A 88 7.490 8.508 -1.900 1.00 0.00 C ATOM 1330 C GLU A 88 6.691 7.737 -0.861 1.00 0.00 C ATOM 1331 O GLU A 88 6.212 8.332 0.111 1.00 0.00 O ATOM 1332 CB GLU A 88 8.895 8.836 -1.323 1.00 0.00 C ATOM 1333 CG GLU A 88 9.759 9.745 -2.212 1.00 0.00 C ATOM 1334 CD GLU A 88 11.172 9.985 -1.658 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.995 9.046 -1.700 1.00 0.00 O ATOM 1336 OE2 GLU A 88 11.470 11.099 -1.174 1.00 0.00 O ATOM 0 H GLU A 88 7.121 10.566 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 88 7.624 7.913 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.771 9.313 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.430 7.902 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.838 9.300 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.257 10.705 -2.332 1.00 0.00 H new ATOM 1343 N VAL A 89 6.546 6.424 -1.083 1.00 0.00 N ATOM 1344 CA VAL A 89 5.822 5.522 -0.187 1.00 0.00 C ATOM 1345 C VAL A 89 6.777 4.401 0.264 1.00 0.00 C ATOM 1346 O VAL A 89 7.151 3.523 -0.525 1.00 0.00 O ATOM 1347 CB VAL A 89 4.539 4.917 -0.856 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.686 4.162 0.190 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.715 6.007 -1.587 1.00 0.00 C ATOM 0 H VAL A 89 6.934 5.955 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 89 5.479 6.096 0.674 1.00 0.00 H new ATOM 0 HB VAL A 89 4.856 4.198 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.800 3.749 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.274 3.353 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.382 4.851 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.833 5.554 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.405 6.769 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.327 6.465 -2.364 1.00 0.00 H new ATOM 1359 N ASP A 90 7.154 4.445 1.542 1.00 0.00 N ATOM 1360 CA ASP A 90 8.159 3.568 2.134 1.00 0.00 C ATOM 1361 C ASP A 90 7.462 2.774 3.253 1.00 0.00 C ATOM 1362 O ASP A 90 7.108 3.340 4.292 1.00 0.00 O ATOM 1363 CB ASP A 90 9.327 4.447 2.667 1.00 0.00 C ATOM 1364 CG ASP A 90 10.543 3.663 3.182 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.933 2.663 2.561 1.00 0.00 O ATOM 1366 OD2 ASP A 90 11.129 4.063 4.207 1.00 0.00 O ATOM 0 H ASP A 90 6.758 5.108 2.208 1.00 0.00 H new ATOM 0 HA ASP A 90 8.582 2.865 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.654 5.114 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.950 5.076 3.474 1.00 0.00 H new ATOM 1371 N VAL A 91 7.216 1.482 2.989 1.00 0.00 N ATOM 1372 CA VAL A 91 6.424 0.599 3.863 1.00 0.00 C ATOM 1373 C VAL A 91 7.342 -0.347 4.669 1.00 0.00 C ATOM 1374 O VAL A 91 8.003 -1.215 4.094 1.00 0.00 O ATOM 1375 CB VAL A 91 5.388 -0.238 3.024 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.415 -1.015 3.945 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.622 0.661 2.019 1.00 0.00 C ATOM 0 H VAL A 91 7.565 1.014 2.153 1.00 0.00 H new ATOM 0 HA VAL A 91 5.876 1.230 4.563 1.00 0.00 H new ATOM 0 HB VAL A 91 5.948 -0.973 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.712 -1.583 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.981 -1.698 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.866 -0.311 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.914 0.054 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.083 1.437 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.330 1.125 1.333 1.00 0.00 H new ATOM 1387 N GLN A 92 7.351 -0.176 5.997 1.00 0.00 N ATOM 1388 CA GLN A 92 8.194 -0.936 6.932 1.00 0.00 C ATOM 1389 C GLN A 92 7.354 -2.064 7.560 1.00 0.00 C ATOM 1390 O GLN A 92 6.301 -1.795 8.141 1.00 0.00 O ATOM 1391 CB GLN A 92 8.724 -0.014 8.079 1.00 0.00 C ATOM 1392 CG GLN A 92 9.512 1.253 7.655 1.00 0.00 C ATOM 1393 CD GLN A 92 8.672 2.366 7.012 1.00 0.00 C ATOM 1394 OE1 GLN A 92 7.483 2.512 7.281 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.295 3.193 6.197 1.00 0.00 N ATOM 0 H GLN A 92 6.759 0.511 6.463 1.00 0.00 H new ATOM 0 HA GLN A 92 9.043 -1.343 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.872 0.302 8.681 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.366 -0.612 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.012 1.660 8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.291 0.957 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.283 3.054 5.987 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.789 3.972 5.776 1.00 0.00 H new ATOM 1404 N PHE A 93 7.824 -3.314 7.440 1.00 0.00 N ATOM 1405 CA PHE A 93 7.159 -4.484 8.034 1.00 0.00 C ATOM 1406 C PHE A 93 7.963 -4.924 9.266 1.00 0.00 C ATOM 1407 O PHE A 93 8.987 -5.605 9.143 1.00 0.00 O ATOM 1408 CB PHE A 93 7.057 -5.635 6.995 1.00 0.00 C ATOM 1409 CG PHE A 93 6.274 -5.276 5.728 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.886 -4.582 4.679 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.930 -5.622 5.586 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.178 -4.249 3.540 1.00 0.00 C ATOM 1413 CE2 PHE A 93 4.224 -5.289 4.442 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.849 -4.603 3.423 1.00 0.00 C ATOM 0 H PHE A 93 8.676 -3.543 6.928 1.00 0.00 H new ATOM 0 HA PHE A 93 6.144 -4.225 8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.064 -5.942 6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.583 -6.495 7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.926 -4.303 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.432 -6.158 6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.665 -3.711 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.185 -5.567 4.348 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.298 -4.342 2.532 1.00 0.00 H new ATOM 1424 N ALA A 94 7.522 -4.473 10.444 1.00 0.00 N ATOM 1425 CA ALA A 94 8.150 -4.816 11.726 1.00 0.00 C ATOM 1426 C ALA A 94 7.496 -6.085 12.290 1.00 0.00 C ATOM 1427 O ALA A 94 6.278 -6.146 12.405 1.00 0.00 O ATOM 1428 CB ALA A 94 8.029 -3.636 12.712 1.00 0.00 C ATOM 0 H ALA A 94 6.715 -3.856 10.537 1.00 0.00 H new ATOM 0 HA ALA A 94 9.211 -5.012 11.574 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.499 -3.903 13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.526 -2.761 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.976 -3.409 12.880 1.00 0.00 H new ATOM 1434 N SER A 95 8.306 -7.090 12.621 1.00 0.00 N ATOM 1435 CA SER A 95 7.825 -8.363 13.181 1.00 0.00 C ATOM 1436 C SER A 95 7.469 -8.188 14.671 1.00 0.00 C ATOM 1437 O SER A 95 8.230 -7.571 15.419 1.00 0.00 O ATOM 1438 CB SER A 95 8.909 -9.441 12.990 1.00 0.00 C ATOM 1439 OG SER A 95 8.493 -10.683 13.523 1.00 0.00 O ATOM 0 H SER A 95 9.319 -7.049 12.510 1.00 0.00 H new ATOM 0 HA SER A 95 6.921 -8.678 12.659 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.131 -9.553 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.831 -9.124 13.477 1.00 0.00 H new ATOM 0 HG SER A 95 9.198 -11.350 13.387 1.00 0.00 H new ATOM 1445 N GLU A 96 6.296 -8.702 15.088 1.00 0.00 N ATOM 1446 CA GLU A 96 5.812 -8.599 16.489 1.00 0.00 C ATOM 1447 C GLU A 96 5.545 -9.999 17.085 1.00 0.00 C ATOM 1448 O GLU A 96 5.184 -10.917 16.337 1.00 0.00 O ATOM 1449 CB GLU A 96 4.500 -7.779 16.556 1.00 0.00 C ATOM 1450 CG GLU A 96 4.548 -6.388 15.917 1.00 0.00 C ATOM 1451 CD GLU A 96 3.279 -5.584 16.222 1.00 0.00 C ATOM 1452 OE1 GLU A 96 2.263 -5.747 15.514 1.00 0.00 O ATOM 1453 OE2 GLU A 96 3.288 -4.818 17.199 1.00 0.00 O ATOM 0 H GLU A 96 5.655 -9.200 14.470 1.00 0.00 H new ATOM 0 HA GLU A 96 6.590 -8.099 17.065 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.710 -8.353 16.072 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.217 -7.667 17.603 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.420 -5.847 16.286 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.667 -6.486 14.838 1.00 0.00 H new ATOM 1460 N PRO A 97 5.680 -10.180 18.444 1.00 0.00 N ATOM 1461 CA PRO A 97 5.367 -11.464 19.132 1.00 0.00 C ATOM 1462 C PRO A 97 3.880 -11.890 19.004 1.00 0.00 C ATOM 1463 O PRO A 97 3.542 -13.052 19.264 1.00 0.00 O ATOM 1464 CB PRO A 97 5.748 -11.188 20.619 1.00 0.00 C ATOM 1465 CG PRO A 97 6.685 -10.025 20.562 1.00 0.00 C ATOM 1466 CD PRO A 97 6.187 -9.173 19.418 1.00 0.00 C ATOM 0 HA PRO A 97 5.915 -12.295 18.687 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.867 -10.957 21.217 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.223 -12.057 21.074 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.680 -9.468 21.499 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.710 -10.353 20.392 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.401 -8.489 19.737 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.985 -8.565 18.991 1.00 0.00 H new ATOM 1474 N GLY A 98 3.009 -10.945 18.596 1.00 0.00 N ATOM 1475 CA GLY A 98 1.585 -11.229 18.377 1.00 0.00 C ATOM 1476 C GLY A 98 1.051 -10.617 17.098 1.00 0.00 C ATOM 1477 O GLY A 98 -0.132 -10.262 17.033 1.00 0.00 O ATOM 0 H GLY A 98 3.273 -9.977 18.412 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.435 -12.308 18.347 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.010 -10.851 19.222 1.00 0.00 H new ATOM 1481 N GLY A 99 1.910 -10.512 16.062 1.00 0.00 N ATOM 1482 CA GLY A 99 1.484 -9.982 14.764 1.00 0.00 C ATOM 1483 C GLY A 99 2.610 -9.380 13.929 1.00 0.00 C ATOM 1484 O GLY A 99 3.736 -9.867 13.959 1.00 0.00 O ATOM 0 H GLY A 99 2.892 -10.786 16.105 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.014 -10.784 14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.723 -9.220 14.929 1.00 0.00 H new ATOM 1488 N THR A 100 2.293 -8.321 13.162 1.00 0.00 N ATOM 1489 CA THR A 100 3.236 -7.614 12.287 1.00 0.00 C ATOM 1490 C THR A 100 2.834 -6.136 12.230 1.00 0.00 C ATOM 1491 O THR A 100 1.742 -5.804 11.753 1.00 0.00 O ATOM 1492 CB THR A 100 3.246 -8.197 10.830 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.564 -9.591 10.865 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.256 -7.470 9.913 1.00 0.00 C ATOM 0 H THR A 100 1.353 -7.927 13.135 1.00 0.00 H new ATOM 0 HA THR A 100 4.238 -7.738 12.699 1.00 0.00 H new ATOM 0 HB THR A 100 2.249 -8.045 10.417 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.769 -10.102 11.124 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.225 -7.910 8.916 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.996 -6.413 9.851 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.260 -7.573 10.324 1.00 0.00 H new ATOM 1502 N TRP A 101 3.708 -5.253 12.726 1.00 0.00 N ATOM 1503 CA TRP A 101 3.475 -3.813 12.703 1.00 0.00 C ATOM 1504 C TRP A 101 3.876 -3.245 11.328 1.00 0.00 C ATOM 1505 O TRP A 101 5.043 -2.910 11.087 1.00 0.00 O ATOM 1506 CB TRP A 101 4.284 -3.149 13.850 1.00 0.00 C ATOM 1507 CG TRP A 101 3.904 -1.726 14.151 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.659 -1.176 14.067 1.00 0.00 C ATOM 1509 CD2 TRP A 101 4.770 -0.681 14.618 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.704 0.132 14.443 1.00 0.00 N ATOM 1511 CE2 TRP A 101 3.984 0.465 14.777 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.134 -0.610 14.912 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.510 1.675 15.209 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.660 0.593 15.343 1.00 0.00 C ATOM 1515 CH2 TRP A 101 5.849 1.722 15.487 1.00 0.00 C ATOM 0 H TRP A 101 4.595 -5.521 13.153 1.00 0.00 H new ATOM 0 HA TRP A 101 2.418 -3.599 12.858 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.157 -3.743 14.755 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.343 -3.181 13.594 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.770 -1.700 13.749 1.00 0.00 H new ATOM 0 HE1 TRP A 101 1.904 0.765 14.471 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.766 -1.479 14.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 3.885 2.548 15.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.713 0.662 15.572 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.288 2.650 15.824 1.00 0.00 H new ATOM 1526 N VAL A 102 2.882 -3.167 10.434 1.00 0.00 N ATOM 1527 CA VAL A 102 3.052 -2.653 9.070 1.00 0.00 C ATOM 1528 C VAL A 102 2.810 -1.148 9.069 1.00 0.00 C ATOM 1529 O VAL A 102 1.763 -0.667 9.499 1.00 0.00 O ATOM 1530 CB VAL A 102 2.077 -3.357 8.061 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.246 -2.816 6.619 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.275 -4.882 8.110 1.00 0.00 C ATOM 0 H VAL A 102 1.928 -3.462 10.640 1.00 0.00 H new ATOM 0 HA VAL A 102 4.070 -2.867 8.745 1.00 0.00 H new ATOM 0 HB VAL A 102 1.056 -3.127 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.552 -3.330 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.037 -1.746 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.268 -2.990 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.594 -5.360 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.303 -5.124 7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.069 -5.244 9.117 1.00 0.00 H new ATOM 1542 N GLN A 103 3.797 -0.432 8.554 1.00 0.00 N ATOM 1543 CA GLN A 103 3.902 1.019 8.636 1.00 0.00 C ATOM 1544 C GLN A 103 4.049 1.557 7.219 1.00 0.00 C ATOM 1545 O GLN A 103 4.974 1.172 6.537 1.00 0.00 O ATOM 1546 CB GLN A 103 5.157 1.378 9.471 1.00 0.00 C ATOM 1547 CG GLN A 103 5.303 0.585 10.786 1.00 0.00 C ATOM 1548 CD GLN A 103 6.653 0.790 11.473 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.216 1.880 11.459 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.206 -0.278 12.025 1.00 0.00 N ATOM 0 H GLN A 103 4.574 -0.858 8.050 1.00 0.00 H new ATOM 0 HA GLN A 103 3.021 1.453 9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.044 1.209 8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.129 2.442 9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.507 0.881 11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.167 -0.476 10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.710 -1.169 12.019 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.128 -0.210 12.456 1.00 0.00 H new ATOM 1559 N GLU A 104 3.133 2.410 6.764 1.00 0.00 N ATOM 1560 CA GLU A 104 3.189 2.981 5.409 1.00 0.00 C ATOM 1561 C GLU A 104 3.443 4.498 5.490 1.00 0.00 C ATOM 1562 O GLU A 104 2.589 5.266 5.924 1.00 0.00 O ATOM 1563 CB GLU A 104 1.878 2.632 4.658 1.00 0.00 C ATOM 1564 CG GLU A 104 1.774 3.192 3.226 1.00 0.00 C ATOM 1565 CD GLU A 104 0.518 2.708 2.477 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.595 3.198 2.781 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.640 1.834 1.587 1.00 0.00 O ATOM 0 H GLU A 104 2.335 2.726 7.315 1.00 0.00 H new ATOM 0 HA GLU A 104 4.017 2.552 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.780 1.547 4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.035 3.005 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.767 4.281 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.660 2.900 2.663 1.00 0.00 H new ATOM 1574 N THR A 105 4.649 4.914 5.091 1.00 0.00 N ATOM 1575 CA THR A 105 5.062 6.322 5.104 1.00 0.00 C ATOM 1576 C THR A 105 4.889 6.893 3.695 1.00 0.00 C ATOM 1577 O THR A 105 5.376 6.306 2.748 1.00 0.00 O ATOM 1578 CB THR A 105 6.549 6.465 5.568 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.743 5.753 6.807 1.00 0.00 O ATOM 1580 CG2 THR A 105 6.948 7.936 5.761 1.00 0.00 C ATOM 0 H THR A 105 5.371 4.280 4.748 1.00 0.00 H new ATOM 0 HA THR A 105 4.442 6.874 5.810 1.00 0.00 H new ATOM 0 HB THR A 105 7.181 6.042 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.676 5.844 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.988 7.992 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.831 8.471 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.309 8.390 6.518 1.00 0.00 H new ATOM 1588 N PHE A 106 4.195 8.022 3.562 1.00 0.00 N ATOM 1589 CA PHE A 106 3.930 8.661 2.262 1.00 0.00 C ATOM 1590 C PHE A 106 4.100 10.173 2.396 1.00 0.00 C ATOM 1591 O PHE A 106 3.770 10.736 3.439 1.00 0.00 O ATOM 1592 CB PHE A 106 2.504 8.308 1.749 1.00 0.00 C ATOM 1593 CG PHE A 106 1.359 8.749 2.671 1.00 0.00 C ATOM 1594 CD1 PHE A 106 0.972 7.964 3.759 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.672 9.949 2.452 1.00 0.00 C ATOM 1596 CE1 PHE A 106 -0.053 8.360 4.591 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.355 10.342 3.289 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.717 9.547 4.357 1.00 0.00 C ATOM 0 H PHE A 106 3.796 8.526 4.354 1.00 0.00 H new ATOM 0 HA PHE A 106 4.644 8.285 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.361 8.768 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.442 7.229 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.484 7.033 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.948 10.576 1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.337 7.740 5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.874 11.271 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.520 9.854 5.010 1.00 0.00 H new ATOM 1608 N ASP A 107 4.628 10.823 1.349 1.00 0.00 N ATOM 1609 CA ASP A 107 4.708 12.304 1.301 1.00 0.00 C ATOM 1610 C ASP A 107 3.304 12.928 1.235 1.00 0.00 C ATOM 1611 O ASP A 107 2.431 12.439 0.499 1.00 0.00 O ATOM 1612 CB ASP A 107 5.561 12.820 0.111 1.00 0.00 C ATOM 1613 CG ASP A 107 7.061 12.599 0.311 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.541 11.480 0.075 1.00 0.00 O ATOM 1615 OD2 ASP A 107 7.780 13.547 0.708 1.00 0.00 O ATOM 0 H ASP A 107 5.006 10.357 0.525 1.00 0.00 H new ATOM 0 HA ASP A 107 5.203 12.612 2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.244 12.316 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.372 13.884 -0.030 1.00 0.00 H new ATOM 1620 N ALA A 108 3.104 14.014 2.010 1.00 0.00 N ATOM 1621 CA ALA A 108 1.851 14.779 2.025 1.00 0.00 C ATOM 1622 C ALA A 108 1.772 15.678 0.783 1.00 0.00 C ATOM 1623 O ALA A 108 2.697 16.444 0.519 1.00 0.00 O ATOM 1624 CB ALA A 108 1.760 15.616 3.313 1.00 0.00 C ATOM 0 H ALA A 108 3.813 14.382 2.644 1.00 0.00 H new ATOM 0 HA ALA A 108 1.008 14.088 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.827 16.180 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.786 14.955 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.602 16.307 3.358 1.00 0.00 H new ATOM 1630 N GLU A 109 0.677 15.564 0.027 1.00 0.00 N ATOM 1631 CA GLU A 109 0.442 16.360 -1.189 1.00 0.00 C ATOM 1632 C GLU A 109 -0.326 17.646 -0.848 1.00 0.00 C ATOM 1633 O GLU A 109 -0.963 17.729 0.196 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.246 15.478 -2.268 1.00 0.00 C ATOM 1635 CG GLU A 109 -1.489 14.671 -1.826 1.00 0.00 C ATOM 1636 CD GLU A 109 -2.813 15.437 -1.933 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -3.432 15.406 -3.015 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -3.252 16.057 -0.956 1.00 0.00 O ATOM 0 H GLU A 109 -0.079 14.913 0.240 1.00 0.00 H new ATOM 0 HA GLU A 109 1.389 16.688 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.538 16.123 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.494 14.777 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.556 13.768 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.351 14.351 -0.793 1.00 0.00 H new ATOM 1688 N THR A 113 -5.796 18.509 2.671 1.00 0.00 N ATOM 1689 CA THR A 113 -5.196 18.707 3.993 1.00 0.00 C ATOM 1690 C THR A 113 -4.595 17.370 4.499 1.00 0.00 C ATOM 1691 O THR A 113 -5.204 16.306 4.286 1.00 0.00 O ATOM 1692 CB THR A 113 -6.246 19.256 5.008 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.435 18.468 4.932 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.597 20.723 4.739 1.00 0.00 C ATOM 0 HA THR A 113 -4.400 19.446 3.908 1.00 0.00 H new ATOM 0 HB THR A 113 -5.806 19.195 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.459 17.994 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.331 21.061 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.697 21.333 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.013 20.820 3.736 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.387 17.406 5.167 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.642 16.194 5.600 1.00 0.00 C ATOM 1704 C PRO A 114 -3.474 15.184 6.420 1.00 0.00 C ATOM 1705 O PRO A 114 -3.264 13.978 6.305 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.477 16.772 6.442 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.250 18.133 5.881 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.632 18.644 5.538 1.00 0.00 C ATOM 0 HA PRO A 114 -2.325 15.606 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.736 16.817 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.583 16.154 6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.756 18.782 6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.611 18.096 4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.091 19.154 6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.602 19.357 4.714 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.399 15.693 7.254 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.304 14.856 8.076 1.00 0.00 C ATOM 1718 C ALA A 115 -6.182 13.921 7.219 1.00 0.00 C ATOM 1719 O ALA A 115 -6.297 12.722 7.508 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.177 15.750 8.970 1.00 0.00 C ATOM 0 H ALA A 115 -4.543 16.695 7.380 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.681 14.216 8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.840 15.127 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.539 16.341 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.773 16.417 8.347 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.793 14.488 6.161 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.658 13.730 5.228 1.00 0.00 C ATOM 1728 C GLN A 116 -6.853 12.663 4.479 1.00 0.00 C ATOM 1729 O GLN A 116 -7.340 11.548 4.251 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.325 14.688 4.215 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.292 15.702 4.842 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.884 16.676 3.819 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -9.257 16.997 2.809 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -11.087 17.159 4.080 1.00 0.00 N ATOM 0 H GLN A 116 -6.704 15.477 5.927 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.431 13.234 5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.546 15.231 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.867 14.097 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -10.102 15.166 5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.768 16.267 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.579 16.872 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.523 17.818 3.435 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.619 13.035 4.101 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.679 12.126 3.423 1.00 0.00 C ATOM 1745 C GLN A 117 -4.336 10.936 4.333 1.00 0.00 C ATOM 1746 O GLN A 117 -4.427 9.783 3.916 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.386 12.879 3.044 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.622 14.157 2.225 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.352 14.975 2.041 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.262 14.429 1.951 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.481 16.285 2.018 1.00 0.00 N ATOM 0 H GLN A 117 -5.245 13.971 4.256 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.154 11.754 2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.849 13.139 3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.742 12.209 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.022 13.889 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.375 14.769 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.406 16.708 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.656 16.877 1.923 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.973 11.251 5.594 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.587 10.251 6.608 1.00 0.00 C ATOM 1762 C GLN A 118 -4.709 9.231 6.818 1.00 0.00 C ATOM 1763 O GLN A 118 -4.462 8.035 6.869 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.223 10.936 7.957 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.726 9.956 9.047 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.304 10.620 10.360 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -1.847 11.759 10.381 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -2.434 9.903 11.459 1.00 0.00 N ATOM 0 H GLN A 118 -3.940 12.211 5.938 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.705 9.727 6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.451 11.684 7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.099 11.466 8.331 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.517 9.236 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.880 9.393 8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.817 8.959 11.410 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.151 10.292 12.358 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.944 9.737 6.880 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.147 8.921 7.115 1.00 0.00 C ATOM 1779 C ALA A 119 -7.526 8.085 5.876 1.00 0.00 C ATOM 1780 O ALA A 119 -8.049 6.972 6.010 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.308 9.827 7.541 1.00 0.00 C ATOM 0 H ALA A 119 -6.143 10.731 6.768 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.929 8.215 7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.197 9.221 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.042 10.352 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.511 10.553 6.753 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.269 8.641 4.676 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.583 7.963 3.410 1.00 0.00 C ATOM 1789 C GLY A 120 -6.681 6.764 3.151 1.00 0.00 C ATOM 1790 O GLY A 120 -7.163 5.661 2.862 1.00 0.00 O ATOM 0 H GLY A 120 -6.843 9.561 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.622 7.635 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.485 8.672 2.588 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.369 6.992 3.275 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.356 5.932 3.158 1.00 0.00 C ATOM 1796 C TRP A 121 -4.499 4.917 4.307 1.00 0.00 C ATOM 1797 O TRP A 121 -4.321 3.710 4.094 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.936 6.538 3.151 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.573 7.319 1.902 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -3.123 8.493 1.468 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.546 6.995 0.950 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.526 8.898 0.307 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.548 8.004 -0.029 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.626 5.949 0.835 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.675 7.991 -1.115 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.242 5.939 -0.237 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.214 6.960 -1.196 1.00 0.00 C ATOM 0 H TRP A 121 -4.977 7.916 3.459 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.515 5.410 2.214 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.835 7.196 4.014 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.214 5.732 3.279 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.917 9.025 1.971 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.771 9.734 -0.224 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.595 5.161 1.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.701 8.768 -1.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.953 5.133 -0.339 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.913 6.930 -2.019 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.831 5.413 5.524 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.093 4.546 6.695 1.00 0.00 C ATOM 1820 C GLN A 122 -6.317 3.663 6.434 1.00 0.00 C ATOM 1821 O GLN A 122 -6.352 2.525 6.871 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.302 5.369 7.995 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.599 4.537 9.267 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.495 3.537 9.644 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.310 3.774 9.416 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.870 2.411 10.241 1.00 0.00 N ATOM 0 H GLN A 122 -4.923 6.410 5.718 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.213 3.919 6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.409 5.968 8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.126 6.065 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.756 5.218 10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.531 3.992 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.858 2.234 10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.170 1.724 10.519 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.305 4.207 5.701 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.478 3.437 5.282 1.00 0.00 C ATOM 1837 C GLY A 123 -8.100 2.204 4.465 1.00 0.00 C ATOM 1838 O GLY A 123 -8.708 1.143 4.611 1.00 0.00 O ATOM 0 H GLY A 123 -7.309 5.178 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.041 3.128 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.136 4.074 4.691 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.058 2.351 3.634 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.563 1.292 2.740 1.00 0.00 C ATOM 1844 C ILE A 124 -5.649 0.284 3.493 1.00 0.00 C ATOM 1845 O ILE A 124 -5.727 -0.929 3.254 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.784 1.926 1.532 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.658 3.006 0.808 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -5.328 0.841 0.539 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.972 3.708 -0.353 1.00 0.00 C ATOM 0 H ILE A 124 -6.528 3.220 3.562 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.427 0.743 2.367 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.895 2.417 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.567 2.530 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.963 3.755 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.791 1.307 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.670 0.136 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.199 0.311 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.654 4.437 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.078 4.217 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.692 2.973 -1.108 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.792 0.797 4.399 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.840 -0.039 5.179 1.00 0.00 C ATOM 1863 C LEU A 125 -4.598 -0.872 6.235 1.00 0.00 C ATOM 1864 O LEU A 125 -4.287 -2.042 6.480 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.764 0.853 5.865 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.663 0.091 6.683 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.824 -0.835 5.777 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.762 1.069 7.468 1.00 0.00 C ATOM 0 H LEU A 125 -4.735 1.793 4.614 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.337 -0.720 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.271 1.450 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.270 1.549 6.534 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.178 -0.537 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.071 -1.347 6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.475 -1.572 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.332 -0.242 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.011 0.506 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.267 1.746 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.371 1.646 8.164 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.584 -0.226 6.864 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.532 -0.864 7.799 1.00 0.00 C ATOM 1882 C ASP A 126 -7.466 -1.829 7.048 1.00 0.00 C ATOM 1883 O ASP A 126 -7.911 -2.825 7.624 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.337 0.234 8.557 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.428 -0.304 9.492 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -8.096 -0.891 10.538 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.620 -0.154 9.185 1.00 0.00 O ATOM 0 H ASP A 126 -5.754 0.772 6.740 1.00 0.00 H new ATOM 0 HA ASP A 126 -5.977 -1.451 8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.642 0.837 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.799 0.897 7.826 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.752 -1.536 5.757 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.520 -2.458 4.880 1.00 0.00 C ATOM 1894 C ASN A 127 -7.683 -3.701 4.544 1.00 0.00 C ATOM 1895 O ASN A 127 -8.226 -4.794 4.374 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.976 -1.754 3.565 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.041 -2.529 2.769 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.872 -3.233 3.344 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.035 -2.393 1.448 1.00 0.00 N ATOM 0 H ASN A 127 -7.464 -0.671 5.299 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.412 -2.762 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.370 -0.768 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.105 -1.599 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.731 -2.879 0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.334 -1.803 0.999 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.356 -3.514 4.450 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.406 -4.620 4.261 1.00 0.00 C ATOM 1908 C PHE A 128 -5.389 -5.518 5.506 1.00 0.00 C ATOM 1909 O PHE A 128 -5.476 -6.736 5.387 1.00 0.00 O ATOM 1910 CB PHE A 128 -3.976 -4.091 3.951 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.923 -5.198 3.865 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.046 -6.212 2.928 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.835 -5.238 4.729 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.126 -7.224 2.848 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.906 -6.259 4.649 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.055 -7.251 3.707 1.00 0.00 C ATOM 0 H PHE A 128 -5.914 -2.596 4.503 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.735 -5.207 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.995 -3.544 3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.684 -3.381 4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.884 -6.204 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.714 -4.463 5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.243 -8.002 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.064 -6.278 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.331 -8.050 3.643 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.275 -4.894 6.688 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.266 -5.598 7.987 1.00 0.00 C ATOM 1928 C LYS A 129 -6.568 -6.390 8.193 1.00 0.00 C ATOM 1929 O LYS A 129 -6.547 -7.560 8.596 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.055 -4.550 9.111 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.081 -5.100 10.555 1.00 0.00 C ATOM 1932 CD LYS A 129 -4.562 -4.068 11.587 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.322 -2.732 11.544 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.741 -2.865 11.953 1.00 0.00 N ATOM 0 H LYS A 129 -5.186 -3.882 6.774 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.452 -6.322 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.097 -4.057 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.827 -3.786 9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.100 -5.388 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.472 -6.002 10.609 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.643 -4.492 12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -3.504 -3.882 11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.826 -2.016 12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.276 -2.326 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.318 -2.173 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.076 -3.826 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.826 -2.689 12.975 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.688 -5.732 7.872 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.031 -6.331 7.926 1.00 0.00 C ATOM 1950 C ARG A 130 -9.145 -7.502 6.946 1.00 0.00 C ATOM 1951 O ARG A 130 -9.772 -8.512 7.255 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.104 -5.258 7.620 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.562 -5.731 7.810 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.595 -4.630 7.502 1.00 0.00 C ATOM 1955 NE ARG A 130 -13.978 -5.103 7.722 1.00 0.00 N ATOM 1956 CZ ARG A 130 -15.100 -4.386 7.523 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -15.040 -3.130 7.080 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -16.281 -4.948 7.773 1.00 0.00 N ATOM 0 H ARG A 130 -7.690 -4.760 7.564 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.198 -6.717 8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -9.929 -4.395 8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -9.977 -4.920 6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.748 -6.588 7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.697 -6.072 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.402 -3.763 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.482 -4.303 6.468 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.093 -6.060 8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.135 -2.700 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.899 -2.599 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.327 -5.909 8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.140 -4.417 7.627 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.512 -7.344 5.773 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.488 -8.377 4.736 1.00 0.00 C ATOM 1974 C TYR A 131 -7.702 -9.613 5.209 1.00 0.00 C ATOM 1975 O TYR A 131 -8.103 -10.742 4.936 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.885 -7.830 3.412 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.772 -8.915 2.329 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.916 -9.418 1.705 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.538 -9.483 1.983 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.835 -10.443 0.796 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.461 -10.504 1.063 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.610 -10.977 0.473 1.00 0.00 C ATOM 1983 OH TYR A 131 -7.538 -11.999 -0.439 1.00 0.00 O ATOM 0 H TYR A 131 -8.004 -6.496 5.521 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.519 -8.675 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.506 -7.014 3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -6.897 -7.414 3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.880 -8.993 1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.634 -9.114 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.732 -10.829 0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.503 -10.932 0.806 1.00 0.00 H new ATOM 0 HH TYR A 131 -8.385 -12.062 -0.927 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.582 -9.386 5.903 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.732 -10.471 6.427 1.00 0.00 C ATOM 1995 C VAL A 132 -6.503 -11.301 7.469 1.00 0.00 C ATOM 1996 O VAL A 132 -6.355 -12.521 7.535 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.395 -9.905 7.042 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.557 -11.006 7.728 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.553 -9.192 5.959 1.00 0.00 C ATOM 0 H VAL A 132 -6.236 -8.451 6.119 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.464 -11.121 5.594 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.678 -9.182 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.646 -10.569 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.137 -11.455 8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.296 -11.772 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.635 -8.809 6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.304 -9.899 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.125 -8.364 5.540 1.00 0.00 H new ATOM 2009 N GLU A 133 -7.346 -10.620 8.250 1.00 0.00 N ATOM 2010 CA GLU A 133 -8.177 -11.249 9.294 1.00 0.00 C ATOM 2011 C GLU A 133 -9.486 -11.838 8.717 1.00 0.00 C ATOM 2012 O GLU A 133 -10.081 -12.734 9.320 1.00 0.00 O ATOM 2013 CB GLU A 133 -8.487 -10.206 10.391 1.00 0.00 C ATOM 2014 CG GLU A 133 -7.242 -9.637 11.104 1.00 0.00 C ATOM 2015 CD GLU A 133 -7.595 -8.559 12.144 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -7.737 -7.378 11.767 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -7.764 -8.889 13.340 1.00 0.00 O ATOM 0 H GLU A 133 -7.476 -9.611 8.180 1.00 0.00 H new ATOM 0 HA GLU A 133 -7.619 -12.081 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -9.042 -9.382 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -9.139 -10.663 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -6.707 -10.449 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -6.565 -9.213 10.362 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.933 -11.326 7.551 1.00 0.00 N ATOM 2025 CA ALA A 134 -11.155 -11.817 6.865 1.00 0.00 C ATOM 2026 C ALA A 134 -10.847 -13.106 6.095 1.00 0.00 C ATOM 2027 O ALA A 134 -11.623 -14.067 6.104 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.699 -10.741 5.910 1.00 0.00 C ATOM 0 H ALA A 134 -9.464 -10.566 7.059 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.916 -12.032 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.595 -11.114 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.945 -9.843 6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.943 -10.502 5.162 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.699 -13.083 5.412 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.178 -14.213 4.634 1.00 0.00 C ATOM 2036 C ALA A 135 -8.519 -15.232 5.562 1.00 0.00 C ATOM 2037 O ALA A 135 -8.528 -16.426 5.284 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.168 -13.706 3.590 1.00 0.00 C ATOM 0 H ALA A 135 -9.093 -12.263 5.383 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.004 -14.701 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.784 -14.549 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.661 -13.003 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.342 -13.206 4.096 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.928 -14.734 6.659 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.160 -15.564 7.591 1.00 0.00 C ATOM 2046 C GLY A 136 -5.699 -15.663 7.187 1.00 0.00 C ATOM 2047 O GLY A 136 -4.807 -15.376 7.988 1.00 0.00 O ATOM 0 H GLY A 136 -7.970 -13.749 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.232 -15.145 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.594 -16.563 7.631 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.483 -16.067 5.917 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.161 -16.320 5.324 1.00 0.00 C ATOM 2053 C LEU A 137 -3.447 -17.441 6.100 1.00 0.00 C ATOM 2054 O LEU A 137 -2.478 -17.186 6.815 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.287 -15.023 5.235 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.877 -13.829 4.420 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.899 -12.636 4.429 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.239 -14.245 2.971 1.00 0.00 C ATOM 0 H LEU A 137 -6.247 -16.229 5.261 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.310 -16.648 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.089 -14.677 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.326 -15.291 4.797 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.803 -13.520 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.325 -11.812 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.727 -12.314 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -1.953 -12.938 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -4.646 -13.386 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -3.344 -14.599 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.982 -15.042 2.996 1.00 0.00 H new