USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 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 45:sc= -4.85! USER MOD Set 1.2: A 131 TYR OH : rot -150:sc= 0.816 USER MOD Set 2.1: A 92 GLN : amide:sc= 0.506 K(o=0.86,f=-4.7!) USER MOD Set 2.2: A 105 THR OG1 : rot -140:sc= 0.358 USER MOD Set 3.1: A 30 ASN : amide:sc= 0.16 K(o=-3.4,f=-4.1) USER MOD Set 3.2: A 53 HIS : no HD1:sc= -3.53! C(o=-3.4!,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00611) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= 0.327 (180deg=0.0251) USER MOD Single : A 4 SER OG : rot 35:sc= 0.0887 USER MOD Single : A 8 HIS : no HE2:sc= 0.226 K(o=0.27,f=-1.8) USER MOD Single : A 11 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.29) USER MOD Single : A 21 ASN : amide:sc= 0.159 K(o=0.16,f=-0.83) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -0.196 X(o=-0.2,f=-0.56) USER MOD Single : A 38 THR OG1 : rot -130:sc= -0.778 USER MOD Single : A 39 THR OG1 : rot -24:sc= 0.285 USER MOD Single : A 41 SER OG : rot 156:sc= 0 USER MOD Single : A 52 CYS SG : rot 170:sc= -1.33 USER MOD Single : A 54 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.4) USER MOD Single : A 55 MET CE :methyl -124:sc= -0.272 (180deg=-1.42) 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 50:sc= 0.53 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00888 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -122:sc= -0.277 (180deg=-0.314) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 90:sc= 0.581 USER MOD Single : A 103 GLN : amide:sc= -0.199 K(o=-0.2,f=-0.87) USER MOD Single : A 113 THR OG1 : rot 26:sc= 0.12 USER MOD Single : A 116 GLN : amide:sc= -0.565 K(o=-0.57,f=-4.6!) USER MOD Single : A 117 GLN : amide:sc= -1.8 K(o=-1.8,f=-9.2!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 GLN : amide:sc= -2.08! X(o=-2.1!,f=-2.3) USER MOD Single : A 127 ASN : amide:sc= -0.279 K(o=-0.28,f=-4.6!) USER MOD Single : A 129 LYS NZ :NH3+ 179:sc= 0.0966 (180deg=0.00805) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.003 16.884 3.769 1.00 0.00 N ATOM 2 CA MET A 1 6.948 16.493 4.745 1.00 0.00 C ATOM 3 C MET A 1 6.547 15.032 4.522 1.00 0.00 C ATOM 4 O MET A 1 6.163 14.664 3.413 1.00 0.00 O ATOM 5 CB MET A 1 5.710 17.427 4.616 1.00 0.00 C ATOM 6 CG MET A 1 4.613 17.180 5.660 1.00 0.00 C ATOM 7 SD MET A 1 3.192 18.271 5.441 1.00 0.00 S ATOM 8 CE MET A 1 2.141 17.767 6.800 1.00 0.00 C ATOM 0 H1 MET A 1 8.270 17.877 3.926 1.00 0.00 H new ATOM 0 H2 MET A 1 8.837 16.276 3.897 1.00 0.00 H new ATOM 0 H3 MET A 1 7.639 16.772 2.801 1.00 0.00 H new ATOM 0 HA MET A 1 7.347 16.597 5.754 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.042 18.462 4.695 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.281 17.305 3.621 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.284 16.143 5.598 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.027 17.324 6.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.241 18.382 6.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.864 16.720 6.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.677 17.892 7.741 1.00 0.00 H new ATOM 20 N LYS A 2 6.655 14.203 5.580 1.00 0.00 N ATOM 21 CA LYS A 2 6.241 12.788 5.550 1.00 0.00 C ATOM 22 C LYS A 2 5.282 12.496 6.713 1.00 0.00 C ATOM 23 O LYS A 2 5.582 12.812 7.871 1.00 0.00 O ATOM 24 CB LYS A 2 7.464 11.832 5.635 1.00 0.00 C ATOM 25 CG LYS A 2 8.408 11.851 4.416 1.00 0.00 C ATOM 26 CD LYS A 2 9.628 10.915 4.601 1.00 0.00 C ATOM 27 CE LYS A 2 10.495 10.847 3.339 1.00 0.00 C ATOM 28 NZ LYS A 2 9.761 10.251 2.180 1.00 0.00 N ATOM 0 H LYS A 2 7.033 14.498 6.480 1.00 0.00 H new ATOM 0 HA LYS A 2 5.736 12.612 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.041 12.087 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.099 10.814 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.855 11.551 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.757 12.869 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.232 11.267 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.281 9.914 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.831 11.850 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.387 10.256 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.440 9.990 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.248 9.402 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.084 10.945 1.803 1.00 0.00 H new ATOM 42 N ILE A 3 4.123 11.913 6.390 1.00 0.00 N ATOM 43 CA ILE A 3 3.153 11.415 7.378 1.00 0.00 C ATOM 44 C ILE A 3 3.338 9.890 7.528 1.00 0.00 C ATOM 45 O ILE A 3 3.377 9.172 6.523 1.00 0.00 O ATOM 46 CB ILE A 3 1.681 11.744 6.922 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.517 13.277 6.628 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.636 11.249 7.963 1.00 0.00 C ATOM 49 CD1 ILE A 3 0.168 13.667 6.052 1.00 0.00 C ATOM 0 H ILE A 3 3.826 11.771 5.425 1.00 0.00 H new ATOM 0 HA ILE A 3 3.325 11.904 8.337 1.00 0.00 H new ATOM 0 HB ILE A 3 1.491 11.203 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.676 13.831 7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.298 13.586 5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.368 11.493 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.726 10.169 8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.817 11.737 8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.143 14.743 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.011 13.145 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.620 13.393 6.754 1.00 0.00 H new ATOM 61 N SER A 4 3.472 9.402 8.773 1.00 0.00 N ATOM 62 CA SER A 4 3.667 7.970 9.056 1.00 0.00 C ATOM 63 C SER A 4 2.442 7.411 9.800 1.00 0.00 C ATOM 64 O SER A 4 2.069 7.910 10.866 1.00 0.00 O ATOM 65 CB SER A 4 4.975 7.765 9.858 1.00 0.00 C ATOM 66 OG SER A 4 5.005 8.554 11.045 1.00 0.00 O ATOM 0 H SER A 4 3.448 9.987 9.608 1.00 0.00 H new ATOM 0 HA SER A 4 3.764 7.419 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.078 6.712 10.120 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.829 8.022 9.231 1.00 0.00 H new ATOM 0 HG SER A 4 4.101 8.620 11.417 1.00 0.00 H new ATOM 72 N ILE A 5 1.808 6.408 9.188 1.00 0.00 N ATOM 73 CA ILE A 5 0.633 5.695 9.729 1.00 0.00 C ATOM 74 C ILE A 5 1.016 4.215 9.958 1.00 0.00 C ATOM 75 O ILE A 5 2.047 3.779 9.453 1.00 0.00 O ATOM 76 CB ILE A 5 -0.573 5.790 8.720 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.151 5.204 7.333 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.066 7.251 8.578 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.211 5.201 6.255 1.00 0.00 C ATOM 0 H ILE A 5 2.101 6.055 8.277 1.00 0.00 H new ATOM 0 HA ILE A 5 0.328 6.150 10.671 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.403 5.202 9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.706 5.771 6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.186 4.179 7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.899 7.287 7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.394 7.620 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.252 7.875 8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.800 4.772 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.063 4.606 6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.536 6.223 6.061 1.00 0.00 H new ATOM 91 N GLU A 6 0.196 3.437 10.706 1.00 0.00 N ATOM 92 CA GLU A 6 0.543 2.022 11.023 1.00 0.00 C ATOM 93 C GLU A 6 -0.675 1.103 11.278 1.00 0.00 C ATOM 94 O GLU A 6 -1.796 1.561 11.507 1.00 0.00 O ATOM 95 CB GLU A 6 1.511 1.975 12.232 1.00 0.00 C ATOM 96 CG GLU A 6 1.012 2.706 13.492 1.00 0.00 C ATOM 97 CD GLU A 6 1.916 2.458 14.705 1.00 0.00 C ATOM 98 OE1 GLU A 6 2.912 3.189 14.887 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.653 1.495 15.460 1.00 0.00 O ATOM 0 H GLU A 6 -0.692 3.752 11.096 1.00 0.00 H new ATOM 0 HA GLU A 6 1.025 1.626 10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.701 0.932 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.465 2.409 11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.961 3.776 13.292 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.001 2.377 13.723 1.00 0.00 H new ATOM 106 N ALA A 7 -0.399 -0.222 11.275 1.00 0.00 N ATOM 107 CA ALA A 7 -1.413 -1.288 11.325 1.00 0.00 C ATOM 108 C ALA A 7 -0.780 -2.590 11.854 1.00 0.00 C ATOM 109 O ALA A 7 0.141 -3.115 11.238 1.00 0.00 O ATOM 110 CB ALA A 7 -2.001 -1.503 9.912 1.00 0.00 C ATOM 0 H ALA A 7 0.555 -0.581 11.237 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.217 -0.998 12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.752 -2.292 9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.462 -0.578 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.204 -1.791 9.226 1.00 0.00 H new ATOM 116 N HIS A 8 -1.277 -3.120 12.988 1.00 0.00 N ATOM 117 CA HIS A 8 -0.751 -4.365 13.594 1.00 0.00 C ATOM 118 C HIS A 8 -1.608 -5.553 13.130 1.00 0.00 C ATOM 119 O HIS A 8 -2.649 -5.857 13.723 1.00 0.00 O ATOM 120 CB HIS A 8 -0.733 -4.278 15.140 1.00 0.00 C ATOM 121 CG HIS A 8 0.253 -3.284 15.695 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.384 -3.657 16.391 1.00 0.00 N ATOM 123 CD2 HIS A 8 0.271 -1.931 15.659 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.052 -2.588 16.756 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.400 -1.524 16.326 1.00 0.00 N ATOM 0 H HIS A 8 -2.049 -2.703 13.509 1.00 0.00 H new ATOM 0 HA HIS A 8 0.279 -4.506 13.266 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.732 -4.015 15.489 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.504 -5.264 15.545 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.659 -4.618 16.592 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.464 -1.292 15.193 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.977 -2.580 17.313 1.00 0.00 H new ATOM 134 N ILE A 9 -1.182 -6.179 12.030 1.00 0.00 N ATOM 135 CA ILE A 9 -1.906 -7.292 11.406 1.00 0.00 C ATOM 136 C ILE A 9 -1.564 -8.614 12.121 1.00 0.00 C ATOM 137 O ILE A 9 -0.395 -8.974 12.206 1.00 0.00 O ATOM 138 CB ILE A 9 -1.546 -7.402 9.878 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.794 -6.037 9.152 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.340 -8.549 9.213 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.541 -6.044 7.657 1.00 0.00 C ATOM 0 H ILE A 9 -0.321 -5.928 11.544 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.975 -7.101 11.499 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.485 -7.637 9.787 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.826 -5.733 9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.156 -5.280 9.608 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.077 -8.609 8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.095 -9.492 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.408 -8.356 9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.741 -5.053 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.502 -6.312 7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.198 -6.772 7.180 1.00 0.00 H new ATOM 153 N GLU A 10 -2.588 -9.337 12.612 1.00 0.00 N ATOM 154 CA GLU A 10 -2.414 -10.645 13.273 1.00 0.00 C ATOM 155 C GLU A 10 -2.252 -11.765 12.214 1.00 0.00 C ATOM 156 O GLU A 10 -3.131 -12.608 12.011 1.00 0.00 O ATOM 157 CB GLU A 10 -3.589 -10.894 14.274 1.00 0.00 C ATOM 158 CG GLU A 10 -5.014 -10.763 13.676 1.00 0.00 C ATOM 159 CD GLU A 10 -6.151 -10.729 14.712 1.00 0.00 C ATOM 160 OE1 GLU A 10 -5.964 -10.150 15.811 1.00 0.00 O ATOM 161 OE2 GLU A 10 -7.248 -11.267 14.431 1.00 0.00 O ATOM 0 H GLU A 10 -3.560 -9.031 12.562 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.497 -10.650 13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.480 -11.894 14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.495 -10.190 15.101 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.059 -9.852 13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.186 -11.598 12.997 1.00 0.00 H new ATOM 168 N GLN A 11 -1.093 -11.733 11.526 1.00 0.00 N ATOM 169 CA GLN A 11 -0.743 -12.686 10.464 1.00 0.00 C ATOM 170 C GLN A 11 0.772 -12.619 10.186 1.00 0.00 C ATOM 171 O GLN A 11 1.432 -11.644 10.568 1.00 0.00 O ATOM 172 CB GLN A 11 -1.580 -12.387 9.184 1.00 0.00 C ATOM 173 CG GLN A 11 -1.394 -13.371 8.005 1.00 0.00 C ATOM 174 CD GLN A 11 -1.663 -14.848 8.345 1.00 0.00 C ATOM 175 OE1 GLN A 11 -1.035 -15.735 7.769 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.599 -15.129 9.247 1.00 0.00 N ATOM 0 H GLN A 11 -0.369 -11.036 11.697 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.981 -13.700 10.784 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.635 -12.376 9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.330 -11.384 8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.058 -13.073 7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.374 -13.279 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.105 -14.374 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.811 -16.100 9.476 1.00 0.00 H new ATOM 185 N GLU A 12 1.313 -13.673 9.541 1.00 0.00 N ATOM 186 CA GLU A 12 2.733 -13.767 9.170 1.00 0.00 C ATOM 187 C GLU A 12 3.124 -12.648 8.184 1.00 0.00 C ATOM 188 O GLU A 12 2.363 -12.348 7.266 1.00 0.00 O ATOM 189 CB GLU A 12 3.041 -15.151 8.523 1.00 0.00 C ATOM 190 CG GLU A 12 2.619 -16.373 9.359 1.00 0.00 C ATOM 191 CD GLU A 12 3.253 -16.407 10.765 1.00 0.00 C ATOM 192 OE1 GLU A 12 4.491 -16.563 10.869 1.00 0.00 O ATOM 193 OE2 GLU A 12 2.521 -16.301 11.774 1.00 0.00 O ATOM 0 H GLU A 12 0.768 -14.489 9.262 1.00 0.00 H new ATOM 0 HA GLU A 12 3.318 -13.655 10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.540 -15.202 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.112 -15.214 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.534 -16.377 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.894 -17.282 8.823 1.00 0.00 H new ATOM 200 N ILE A 13 4.332 -12.076 8.370 1.00 0.00 N ATOM 201 CA ILE A 13 4.891 -10.992 7.514 1.00 0.00 C ATOM 202 C ILE A 13 4.985 -11.435 6.032 1.00 0.00 C ATOM 203 O ILE A 13 4.983 -10.605 5.119 1.00 0.00 O ATOM 204 CB ILE A 13 6.302 -10.552 8.067 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.841 -9.268 7.352 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.317 -11.713 7.979 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.158 -8.742 7.902 1.00 0.00 C ATOM 0 H ILE A 13 4.959 -12.352 9.126 1.00 0.00 H new ATOM 0 HA ILE A 13 4.216 -10.137 7.551 1.00 0.00 H new ATOM 0 HB ILE A 13 6.171 -10.296 9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.966 -9.484 6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.090 -8.482 7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.281 -11.384 8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.958 -12.556 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.429 -12.020 6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.455 -7.852 7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.037 -8.489 8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.927 -9.507 7.798 1.00 0.00 H new ATOM 219 N GLU A 14 5.047 -12.762 5.832 1.00 0.00 N ATOM 220 CA GLU A 14 5.036 -13.392 4.509 1.00 0.00 C ATOM 221 C GLU A 14 3.688 -13.151 3.817 1.00 0.00 C ATOM 222 O GLU A 14 3.643 -12.646 2.705 1.00 0.00 O ATOM 223 CB GLU A 14 5.242 -14.909 4.650 1.00 0.00 C ATOM 224 CG GLU A 14 6.463 -15.336 5.458 1.00 0.00 C ATOM 225 CD GLU A 14 6.435 -16.841 5.744 1.00 0.00 C ATOM 226 OE1 GLU A 14 5.635 -17.259 6.599 1.00 0.00 O ATOM 227 OE2 GLU A 14 7.188 -17.602 5.106 1.00 0.00 O ATOM 0 H GLU A 14 5.107 -13.433 6.598 1.00 0.00 H new ATOM 0 HA GLU A 14 5.840 -12.956 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.354 -15.337 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.319 -15.341 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.371 -15.083 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.492 -14.784 6.398 1.00 0.00 H new ATOM 234 N ALA A 15 2.598 -13.531 4.515 1.00 0.00 N ATOM 235 CA ALA A 15 1.217 -13.464 3.979 1.00 0.00 C ATOM 236 C ALA A 15 0.725 -12.007 3.890 1.00 0.00 C ATOM 237 O ALA A 15 -0.132 -11.681 3.067 1.00 0.00 O ATOM 238 CB ALA A 15 0.272 -14.329 4.836 1.00 0.00 C ATOM 0 H ALA A 15 2.647 -13.894 5.467 1.00 0.00 H new ATOM 0 HA ALA A 15 1.218 -13.864 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.739 -14.272 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.611 -15.365 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.274 -13.963 5.863 1.00 0.00 H new ATOM 244 N VAL A 16 1.286 -11.151 4.756 1.00 0.00 N ATOM 245 CA VAL A 16 1.083 -9.696 4.699 1.00 0.00 C ATOM 246 C VAL A 16 1.723 -9.130 3.408 1.00 0.00 C ATOM 247 O VAL A 16 1.052 -8.469 2.626 1.00 0.00 O ATOM 248 CB VAL A 16 1.674 -8.983 5.979 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.606 -7.443 5.877 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.967 -9.475 7.268 1.00 0.00 C ATOM 0 H VAL A 16 1.895 -11.449 5.518 1.00 0.00 H new ATOM 0 HA VAL A 16 0.012 -9.496 4.682 1.00 0.00 H new ATOM 0 HB VAL A 16 2.727 -9.258 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.024 -7.000 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.178 -7.110 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.567 -7.131 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.394 -8.968 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.098 -9.253 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.108 -10.551 7.372 1.00 0.00 H new ATOM 260 N TRP A 17 3.019 -9.427 3.187 1.00 0.00 N ATOM 261 CA TRP A 17 3.746 -8.992 1.962 1.00 0.00 C ATOM 262 C TRP A 17 3.103 -9.596 0.694 1.00 0.00 C ATOM 263 O TRP A 17 3.033 -8.940 -0.352 1.00 0.00 O ATOM 264 CB TRP A 17 5.242 -9.399 2.049 1.00 0.00 C ATOM 265 CG TRP A 17 6.091 -8.967 0.863 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.285 -9.647 -0.313 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.875 -7.770 0.753 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.103 -8.931 -1.142 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.487 -7.787 -0.511 1.00 0.00 C ATOM 270 CE3 TRP A 17 7.112 -6.686 1.598 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.317 -6.767 -0.950 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.943 -5.676 1.163 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.537 -5.723 -0.102 1.00 0.00 C ATOM 0 H TRP A 17 3.590 -9.966 3.837 1.00 0.00 H new ATOM 0 HA TRP A 17 3.678 -7.906 1.896 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.668 -8.972 2.957 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.304 -10.483 2.147 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.854 -10.609 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.381 -9.209 -2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.653 -6.639 2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.773 -6.799 -1.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.139 -4.834 1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.183 -4.916 -0.413 1.00 0.00 H new ATOM 284 N TRP A 18 2.646 -10.847 0.822 1.00 0.00 N ATOM 285 CA TRP A 18 2.006 -11.599 -0.268 1.00 0.00 C ATOM 286 C TRP A 18 0.759 -10.848 -0.728 1.00 0.00 C ATOM 287 O TRP A 18 0.658 -10.478 -1.884 1.00 0.00 O ATOM 288 CB TRP A 18 1.663 -13.042 0.206 1.00 0.00 C ATOM 289 CG TRP A 18 0.807 -13.868 -0.743 1.00 0.00 C ATOM 290 CD1 TRP A 18 0.996 -14.068 -2.087 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.376 -14.617 -0.394 1.00 0.00 C ATOM 292 NE1 TRP A 18 -0.001 -14.866 -2.591 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.850 -15.224 -1.574 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.081 -14.824 0.801 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -1.991 -16.025 -1.594 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.213 -15.622 0.779 1.00 0.00 C ATOM 297 CH2 TRP A 18 -2.659 -16.212 -0.410 1.00 0.00 C ATOM 0 H TRP A 18 2.710 -11.373 1.694 1.00 0.00 H new ATOM 0 HA TRP A 18 2.689 -11.686 -1.113 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.596 -13.577 0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.148 -12.976 1.164 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.811 -13.657 -2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.096 -15.148 -3.567 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.747 -14.369 1.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.337 -16.482 -2.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.761 -15.792 1.694 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.547 -16.827 -0.395 1.00 0.00 H new ATOM 308 N ALA A 19 -0.136 -10.573 0.218 1.00 0.00 N ATOM 309 CA ALA A 19 -1.384 -9.847 -0.038 1.00 0.00 C ATOM 310 C ALA A 19 -1.128 -8.411 -0.541 1.00 0.00 C ATOM 311 O ALA A 19 -1.882 -7.896 -1.376 1.00 0.00 O ATOM 312 CB ALA A 19 -2.234 -9.845 1.232 1.00 0.00 C ATOM 0 H ALA A 19 -0.017 -10.849 1.193 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.924 -10.359 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.163 -9.306 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.461 -10.872 1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.685 -9.356 2.037 1.00 0.00 H new ATOM 318 N TRP A 20 -0.056 -7.788 -0.026 1.00 0.00 N ATOM 319 CA TRP A 20 0.322 -6.409 -0.382 1.00 0.00 C ATOM 320 C TRP A 20 0.694 -6.302 -1.874 1.00 0.00 C ATOM 321 O TRP A 20 0.306 -5.343 -2.548 1.00 0.00 O ATOM 322 CB TRP A 20 1.496 -5.927 0.516 1.00 0.00 C ATOM 323 CG TRP A 20 1.880 -4.468 0.324 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.886 -3.971 -0.465 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.255 -3.324 0.930 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.906 -2.600 -0.392 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.923 -2.181 0.460 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.193 -3.156 1.822 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.566 -0.893 0.850 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.161 -1.879 2.212 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.522 -0.760 1.726 1.00 0.00 C ATOM 0 H TRP A 20 0.573 -8.224 0.648 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.538 -5.762 -0.209 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.226 -6.084 1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.369 -6.549 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.563 -4.570 -1.057 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.552 -1.991 -0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.344 -4.013 2.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.094 -0.029 0.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.979 -1.743 2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.221 0.226 2.047 1.00 0.00 H new ATOM 342 N ASN A 21 1.444 -7.296 -2.376 1.00 0.00 N ATOM 343 CA ASN A 21 2.003 -7.264 -3.747 1.00 0.00 C ATOM 344 C ASN A 21 1.240 -8.174 -4.736 1.00 0.00 C ATOM 345 O ASN A 21 1.498 -8.104 -5.932 1.00 0.00 O ATOM 346 CB ASN A 21 3.509 -7.638 -3.715 1.00 0.00 C ATOM 347 CG ASN A 21 4.386 -6.581 -3.033 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.876 -5.654 -3.679 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.598 -6.717 -1.731 1.00 0.00 N ATOM 0 H ASN A 21 1.681 -8.139 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 21 1.884 -6.245 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.628 -8.589 -3.195 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.860 -7.787 -4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.181 -6.042 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.178 -7.496 -1.224 1.00 0.00 H new ATOM 356 N ASP A 22 0.321 -9.032 -4.257 1.00 0.00 N ATOM 357 CA ASP A 22 -0.431 -9.969 -5.145 1.00 0.00 C ATOM 358 C ASP A 22 -1.577 -9.252 -5.875 1.00 0.00 C ATOM 359 O ASP A 22 -2.464 -8.723 -5.212 1.00 0.00 O ATOM 360 CB ASP A 22 -0.984 -11.173 -4.350 1.00 0.00 C ATOM 361 CG ASP A 22 -1.851 -12.135 -5.191 1.00 0.00 C ATOM 362 OD1 ASP A 22 -1.298 -12.850 -6.043 1.00 0.00 O ATOM 363 OD2 ASP A 22 -3.081 -12.158 -5.013 1.00 0.00 O ATOM 0 H ASP A 22 0.075 -9.104 -3.270 1.00 0.00 H new ATOM 0 HA ASP A 22 0.274 -10.339 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.149 -11.730 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.577 -10.802 -3.514 1.00 0.00 H new ATOM 368 N PRO A 23 -1.595 -9.260 -7.257 1.00 0.00 N ATOM 369 CA PRO A 23 -2.610 -8.534 -8.059 1.00 0.00 C ATOM 370 C PRO A 23 -4.076 -8.888 -7.699 1.00 0.00 C ATOM 371 O PRO A 23 -4.918 -7.986 -7.589 1.00 0.00 O ATOM 372 CB PRO A 23 -2.281 -8.936 -9.518 1.00 0.00 C ATOM 373 CG PRO A 23 -0.840 -9.318 -9.493 1.00 0.00 C ATOM 374 CD PRO A 23 -0.619 -9.958 -8.144 1.00 0.00 C ATOM 0 HA PRO A 23 -2.556 -7.461 -7.873 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.904 -9.766 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.459 -8.109 -10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.603 -10.011 -10.300 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.200 -8.446 -9.624 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.803 -11.032 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.406 -9.820 -7.799 1.00 0.00 H new ATOM 382 N ASP A 24 -4.367 -10.200 -7.533 1.00 0.00 N ATOM 383 CA ASP A 24 -5.743 -10.692 -7.211 1.00 0.00 C ATOM 384 C ASP A 24 -6.225 -10.126 -5.875 1.00 0.00 C ATOM 385 O ASP A 24 -7.392 -9.740 -5.718 1.00 0.00 O ATOM 386 CB ASP A 24 -5.776 -12.249 -7.175 1.00 0.00 C ATOM 387 CG ASP A 24 -7.159 -12.836 -6.808 1.00 0.00 C ATOM 388 OD1 ASP A 24 -8.054 -12.864 -7.684 1.00 0.00 O ATOM 389 OD2 ASP A 24 -7.366 -13.243 -5.639 1.00 0.00 O ATOM 0 H ASP A 24 -3.673 -10.943 -7.615 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.415 -10.346 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.476 -12.632 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.039 -12.602 -6.454 1.00 0.00 H new ATOM 394 N CYS A 25 -5.294 -10.092 -4.925 1.00 0.00 N ATOM 395 CA CYS A 25 -5.540 -9.574 -3.588 1.00 0.00 C ATOM 396 C CYS A 25 -5.842 -8.069 -3.644 1.00 0.00 C ATOM 397 O CYS A 25 -6.867 -7.631 -3.129 1.00 0.00 O ATOM 398 CB CYS A 25 -4.328 -9.850 -2.688 1.00 0.00 C ATOM 399 SG CYS A 25 -4.564 -9.350 -0.988 1.00 0.00 S ATOM 0 H CYS A 25 -4.341 -10.427 -5.066 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.409 -10.080 -3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.102 -10.916 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.460 -9.329 -3.093 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.737 -9.736 -0.581 1.00 0.00 H new ATOM 405 N ILE A 26 -4.954 -7.307 -4.319 1.00 0.00 N ATOM 406 CA ILE A 26 -5.033 -5.827 -4.436 1.00 0.00 C ATOM 407 C ILE A 26 -6.336 -5.390 -5.126 1.00 0.00 C ATOM 408 O ILE A 26 -6.861 -4.313 -4.847 1.00 0.00 O ATOM 409 CB ILE A 26 -3.797 -5.260 -5.233 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.452 -5.685 -4.565 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.872 -3.719 -5.371 1.00 0.00 C ATOM 412 CD1 ILE A 26 -1.227 -5.484 -5.438 1.00 0.00 C ATOM 0 H ILE A 26 -4.150 -7.704 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.021 -5.421 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.832 -5.690 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.323 -5.118 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.516 -6.737 -4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.005 -3.361 -5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.782 -3.445 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.882 -3.265 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.337 -5.805 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.329 -6.073 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.134 -4.429 -5.697 1.00 0.00 H new ATOM 424 N ALA A 27 -6.836 -6.247 -6.029 1.00 0.00 N ATOM 425 CA ALA A 27 -8.124 -6.033 -6.701 1.00 0.00 C ATOM 426 C ALA A 27 -9.283 -5.974 -5.687 1.00 0.00 C ATOM 427 O ALA A 27 -10.232 -5.185 -5.832 1.00 0.00 O ATOM 428 CB ALA A 27 -8.360 -7.152 -7.728 1.00 0.00 C ATOM 0 H ALA A 27 -6.360 -7.104 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.091 -5.073 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.316 -6.993 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.559 -7.142 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.372 -8.116 -7.219 1.00 0.00 H new ATOM 434 N ARG A 28 -9.156 -6.809 -4.655 1.00 0.00 N ATOM 435 CA ARG A 28 -10.190 -7.043 -3.644 1.00 0.00 C ATOM 436 C ARG A 28 -10.078 -6.033 -2.475 1.00 0.00 C ATOM 437 O ARG A 28 -11.105 -5.530 -2.002 1.00 0.00 O ATOM 438 CB ARG A 28 -10.070 -8.520 -3.203 1.00 0.00 C ATOM 439 CG ARG A 28 -11.110 -9.024 -2.192 1.00 0.00 C ATOM 440 CD ARG A 28 -11.215 -10.570 -2.191 1.00 0.00 C ATOM 441 NE ARG A 28 -9.905 -11.258 -2.063 1.00 0.00 N ATOM 442 CZ ARG A 28 -9.250 -11.896 -3.061 1.00 0.00 C ATOM 443 NH1 ARG A 28 -9.746 -11.952 -4.295 1.00 0.00 N ATOM 444 NH2 ARG A 28 -8.083 -12.460 -2.817 1.00 0.00 N ATOM 0 H ARG A 28 -8.310 -7.356 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.187 -6.876 -4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.129 -9.147 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.079 -8.668 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.843 -8.678 -1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.084 -8.594 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.860 -10.881 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.696 -10.893 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.461 -11.249 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.640 -11.508 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.232 -12.439 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.680 -12.414 -1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.584 -12.943 -3.564 1.00 0.00 H new ATOM 458 N TRP A 29 -8.837 -5.712 -2.014 1.00 0.00 N ATOM 459 CA TRP A 29 -8.609 -4.576 -1.066 1.00 0.00 C ATOM 460 C TRP A 29 -8.267 -3.294 -1.873 1.00 0.00 C ATOM 461 O TRP A 29 -8.570 -3.228 -3.072 1.00 0.00 O ATOM 462 CB TRP A 29 -7.544 -4.914 0.045 1.00 0.00 C ATOM 463 CG TRP A 29 -6.105 -5.108 -0.402 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.545 -6.266 -0.835 1.00 0.00 C ATOM 465 CD2 TRP A 29 -5.021 -4.140 -0.383 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.231 -6.073 -1.167 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.880 -4.789 -0.889 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.908 -2.793 -0.019 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.655 -4.152 -1.040 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.683 -2.162 -0.166 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.573 -2.840 -0.675 1.00 0.00 C ATOM 0 H TRP A 29 -7.989 -6.214 -2.277 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.530 -4.393 -0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.562 -4.113 0.784 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.864 -5.824 0.553 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.065 -7.210 -0.908 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.612 -6.781 -1.561 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.760 -2.255 0.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.797 -4.677 -1.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.585 -1.125 0.119 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.634 -2.317 -0.781 1.00 0.00 H new ATOM 482 N ASN A 30 -7.761 -2.244 -1.182 1.00 0.00 N ATOM 483 CA ASN A 30 -7.333 -0.934 -1.776 1.00 0.00 C ATOM 484 C ASN A 30 -8.553 -0.021 -2.066 1.00 0.00 C ATOM 485 O ASN A 30 -8.445 1.205 -1.995 1.00 0.00 O ATOM 486 CB ASN A 30 -6.415 -1.126 -3.038 1.00 0.00 C ATOM 487 CG ASN A 30 -5.406 0.011 -3.326 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.297 -0.255 -3.769 1.00 0.00 O ATOM 489 ND2 ASN A 30 -5.778 1.271 -3.137 1.00 0.00 N ATOM 0 H ASN A 30 -7.632 -2.276 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.721 -0.424 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.859 -2.056 -2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.055 -1.246 -3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.136 2.031 -3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.706 1.479 -2.767 1.00 0.00 H new ATOM 496 N ALA A 31 -9.704 -0.649 -2.386 1.00 0.00 N ATOM 497 CA ALA A 31 -10.989 0.015 -2.609 1.00 0.00 C ATOM 498 C ALA A 31 -11.349 0.961 -1.442 1.00 0.00 C ATOM 499 O ALA A 31 -11.704 0.504 -0.354 1.00 0.00 O ATOM 500 CB ALA A 31 -12.070 -1.062 -2.801 1.00 0.00 C ATOM 0 H ALA A 31 -9.758 -1.661 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.923 0.634 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.035 -0.583 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.818 -1.681 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.125 -1.686 -1.909 1.00 0.00 H new ATOM 506 N ALA A 32 -11.193 2.276 -1.679 1.00 0.00 N ATOM 507 CA ALA A 32 -11.505 3.332 -0.697 1.00 0.00 C ATOM 508 C ALA A 32 -13.033 3.541 -0.537 1.00 0.00 C ATOM 509 O ALA A 32 -13.478 4.240 0.377 1.00 0.00 O ATOM 510 CB ALA A 32 -10.796 4.637 -1.106 1.00 0.00 C ATOM 0 H ALA A 32 -10.844 2.640 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.135 3.018 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.026 5.418 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.719 4.473 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.141 4.945 -2.093 1.00 0.00 H new ATOM 516 N SER A 33 -13.823 2.939 -1.444 1.00 0.00 N ATOM 517 CA SER A 33 -15.294 2.941 -1.372 1.00 0.00 C ATOM 518 C SER A 33 -15.844 1.530 -1.651 1.00 0.00 C ATOM 519 O SER A 33 -15.136 0.670 -2.191 1.00 0.00 O ATOM 520 CB SER A 33 -15.881 3.944 -2.392 1.00 0.00 C ATOM 521 OG SER A 33 -15.293 5.231 -2.287 1.00 0.00 O ATOM 0 H SER A 33 -13.456 2.435 -2.251 1.00 0.00 H new ATOM 0 HA SER A 33 -15.590 3.245 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.731 3.561 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.957 4.026 -2.239 1.00 0.00 H new ATOM 0 HG SER A 33 -15.694 5.829 -2.952 1.00 0.00 H new ATOM 527 N SER A 34 -17.125 1.320 -1.295 1.00 0.00 N ATOM 528 CA SER A 34 -17.856 0.069 -1.581 1.00 0.00 C ATOM 529 C SER A 34 -18.194 -0.016 -3.084 1.00 0.00 C ATOM 530 O SER A 34 -18.172 -1.092 -3.685 1.00 0.00 O ATOM 531 CB SER A 34 -19.157 0.019 -0.742 1.00 0.00 C ATOM 532 OG SER A 34 -18.888 0.200 0.644 1.00 0.00 O ATOM 0 H SER A 34 -17.685 2.014 -0.800 1.00 0.00 H new ATOM 0 HA SER A 34 -17.226 -0.780 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.843 0.793 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.654 -0.939 -0.896 1.00 0.00 H new ATOM 0 HG SER A 34 -19.728 0.165 1.148 1.00 0.00 H new ATOM 538 N ASP A 35 -18.486 1.157 -3.673 1.00 0.00 N ATOM 539 CA ASP A 35 -18.803 1.305 -5.110 1.00 0.00 C ATOM 540 C ASP A 35 -17.527 1.302 -5.973 1.00 0.00 C ATOM 541 O ASP A 35 -17.619 1.344 -7.191 1.00 0.00 O ATOM 542 CB ASP A 35 -19.602 2.620 -5.343 1.00 0.00 C ATOM 543 CG ASP A 35 -20.963 2.649 -4.618 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.993 2.938 -3.392 1.00 0.00 O ATOM 545 OD2 ASP A 35 -22.009 2.372 -5.268 1.00 0.00 O ATOM 0 H ASP A 35 -18.510 2.040 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.411 0.452 -5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.002 3.465 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.766 2.752 -6.413 1.00 0.00 H new ATOM 550 N TRP A 36 -16.344 1.245 -5.327 1.00 0.00 N ATOM 551 CA TRP A 36 -15.026 1.293 -6.003 1.00 0.00 C ATOM 552 C TRP A 36 -14.249 0.006 -5.715 1.00 0.00 C ATOM 553 O TRP A 36 -14.481 -0.640 -4.701 1.00 0.00 O ATOM 554 CB TRP A 36 -14.201 2.525 -5.542 1.00 0.00 C ATOM 555 CG TRP A 36 -14.708 3.857 -6.056 1.00 0.00 C ATOM 556 CD1 TRP A 36 -15.959 4.392 -5.900 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.955 4.832 -6.786 1.00 0.00 C ATOM 558 NE1 TRP A 36 -16.026 5.614 -6.503 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.811 5.911 -7.048 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.640 4.888 -7.243 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -14.394 7.036 -7.749 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.225 6.003 -7.933 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.099 7.065 -8.181 1.00 0.00 C ATOM 0 H TRP A 36 -16.274 1.164 -4.313 1.00 0.00 H new ATOM 0 HA TRP A 36 -15.197 1.384 -7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -14.192 2.552 -4.452 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -13.168 2.395 -5.866 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.774 3.916 -5.376 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -16.853 6.210 -6.540 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.959 4.070 -7.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -15.069 7.856 -7.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.207 6.059 -8.289 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.743 7.927 -8.726 1.00 0.00 H new ATOM 574 N HIS A 37 -13.310 -0.335 -6.607 1.00 0.00 N ATOM 575 CA HIS A 37 -12.514 -1.579 -6.545 1.00 0.00 C ATOM 576 C HIS A 37 -11.336 -1.454 -7.515 1.00 0.00 C ATOM 577 O HIS A 37 -11.485 -0.839 -8.582 1.00 0.00 O ATOM 578 CB HIS A 37 -13.374 -2.826 -6.915 1.00 0.00 C ATOM 579 CG HIS A 37 -13.938 -2.815 -8.323 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.749 -3.836 -9.227 1.00 0.00 N ATOM 581 CD2 HIS A 37 -14.677 -1.888 -8.969 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.338 -3.528 -10.362 1.00 0.00 C ATOM 583 NE2 HIS A 37 -14.907 -2.354 -10.234 1.00 0.00 N ATOM 0 H HIS A 37 -13.074 0.252 -7.407 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.156 -1.717 -5.525 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.764 -3.721 -6.790 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.200 -2.903 -6.208 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.233 -4.697 -9.045 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.023 -0.950 -8.561 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.351 -4.140 -11.251 1.00 0.00 H new ATOM 592 N THR A 38 -10.174 -2.031 -7.169 1.00 0.00 N ATOM 593 CA THR A 38 -9.000 -1.981 -8.046 1.00 0.00 C ATOM 594 C THR A 38 -9.191 -2.967 -9.212 1.00 0.00 C ATOM 595 O THR A 38 -9.011 -4.168 -9.057 1.00 0.00 O ATOM 596 CB THR A 38 -7.692 -2.286 -7.257 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.622 -1.435 -6.104 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.438 -2.069 -8.117 1.00 0.00 C ATOM 0 H THR A 38 -10.026 -2.533 -6.294 1.00 0.00 H new ATOM 0 HA THR A 38 -8.901 -0.973 -8.448 1.00 0.00 H new ATOM 0 HB THR A 38 -7.721 -3.335 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.744 -1.002 -6.070 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.549 -2.293 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.473 -2.728 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.400 -1.032 -8.450 1.00 0.00 H new ATOM 606 N THR A 39 -9.581 -2.438 -10.377 1.00 0.00 N ATOM 607 CA THR A 39 -9.914 -3.259 -11.552 1.00 0.00 C ATOM 608 C THR A 39 -8.668 -3.553 -12.420 1.00 0.00 C ATOM 609 O THR A 39 -8.731 -4.379 -13.333 1.00 0.00 O ATOM 610 CB THR A 39 -11.046 -2.581 -12.391 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.486 -3.454 -13.441 1.00 0.00 O ATOM 612 CG2 THR A 39 -10.601 -1.246 -12.992 1.00 0.00 C ATOM 0 H THR A 39 -9.675 -1.435 -10.534 1.00 0.00 H new ATOM 0 HA THR A 39 -10.283 -4.220 -11.193 1.00 0.00 H new ATOM 0 HB THR A 39 -11.871 -2.383 -11.706 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.775 -4.093 -13.655 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.421 -0.814 -13.566 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.319 -0.563 -12.191 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.746 -1.409 -13.648 1.00 0.00 H new ATOM 620 N GLY A 40 -7.540 -2.878 -12.114 1.00 0.00 N ATOM 621 CA GLY A 40 -6.267 -3.120 -12.803 1.00 0.00 C ATOM 622 C GLY A 40 -5.071 -3.006 -11.865 1.00 0.00 C ATOM 623 O GLY A 40 -4.526 -1.913 -11.681 1.00 0.00 O ATOM 0 H GLY A 40 -7.491 -2.160 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.282 -4.114 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.156 -2.405 -13.618 1.00 0.00 H new ATOM 627 N SER A 41 -4.668 -4.136 -11.257 1.00 0.00 N ATOM 628 CA SER A 41 -3.491 -4.200 -10.375 1.00 0.00 C ATOM 629 C SER A 41 -2.273 -4.678 -11.186 1.00 0.00 C ATOM 630 O SER A 41 -2.133 -5.872 -11.469 1.00 0.00 O ATOM 631 CB SER A 41 -3.756 -5.160 -9.192 1.00 0.00 C ATOM 632 OG SER A 41 -4.931 -4.811 -8.495 1.00 0.00 O ATOM 0 H SER A 41 -5.149 -5.029 -11.364 1.00 0.00 H new ATOM 0 HA SER A 41 -3.290 -3.208 -9.972 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.842 -6.181 -9.563 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.907 -5.140 -8.509 1.00 0.00 H new ATOM 0 HG SER A 41 -5.283 -5.599 -8.031 1.00 0.00 H new ATOM 638 N ARG A 42 -1.422 -3.723 -11.583 1.00 0.00 N ATOM 639 CA ARG A 42 -0.141 -3.991 -12.255 1.00 0.00 C ATOM 640 C ARG A 42 0.933 -4.119 -11.165 1.00 0.00 C ATOM 641 O ARG A 42 1.013 -3.249 -10.296 1.00 0.00 O ATOM 642 CB ARG A 42 0.237 -2.837 -13.247 1.00 0.00 C ATOM 643 CG ARG A 42 -0.802 -2.521 -14.366 1.00 0.00 C ATOM 644 CD ARG A 42 -1.996 -1.682 -13.869 1.00 0.00 C ATOM 645 NE ARG A 42 -2.992 -1.411 -14.925 1.00 0.00 N ATOM 646 CZ ARG A 42 -3.701 -0.272 -15.039 1.00 0.00 C ATOM 647 NH1 ARG A 42 -3.528 0.727 -14.176 1.00 0.00 N ATOM 648 NH2 ARG A 42 -4.569 -0.131 -16.023 1.00 0.00 N ATOM 0 H ARG A 42 -1.605 -2.729 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.218 -4.907 -12.841 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.403 -1.929 -12.668 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.185 -3.090 -13.722 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.303 -1.987 -15.175 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.173 -3.457 -14.783 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.482 -2.205 -13.045 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.628 -0.735 -13.473 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.155 -2.140 -15.619 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.852 0.635 -13.418 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.071 1.585 -14.273 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.703 -0.885 -16.697 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.106 0.732 -16.109 1.00 0.00 H new ATOM 662 N VAL A 43 1.708 -5.211 -11.167 1.00 0.00 N ATOM 663 CA VAL A 43 2.775 -5.437 -10.173 1.00 0.00 C ATOM 664 C VAL A 43 4.019 -6.005 -10.881 1.00 0.00 C ATOM 665 O VAL A 43 4.015 -7.153 -11.347 1.00 0.00 O ATOM 666 CB VAL A 43 2.348 -6.427 -9.010 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.466 -6.554 -7.941 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.001 -6.006 -8.366 1.00 0.00 C ATOM 0 H VAL A 43 1.617 -5.961 -11.852 1.00 0.00 H new ATOM 0 HA VAL A 43 2.987 -4.472 -9.713 1.00 0.00 H new ATOM 0 HB VAL A 43 2.202 -7.410 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.144 -7.239 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.374 -6.937 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.667 -5.575 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.741 -6.708 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.095 -5.004 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.218 -6.010 -9.125 1.00 0.00 H new ATOM 678 N ASP A 44 5.055 -5.171 -11.007 1.00 0.00 N ATOM 679 CA ASP A 44 6.400 -5.598 -11.412 1.00 0.00 C ATOM 680 C ASP A 44 7.365 -5.227 -10.289 1.00 0.00 C ATOM 681 O ASP A 44 8.030 -4.183 -10.329 1.00 0.00 O ATOM 682 CB ASP A 44 6.802 -4.982 -12.785 1.00 0.00 C ATOM 683 CG ASP A 44 5.949 -5.530 -13.949 1.00 0.00 C ATOM 684 OD1 ASP A 44 6.111 -6.719 -14.316 1.00 0.00 O ATOM 685 OD2 ASP A 44 5.092 -4.795 -14.486 1.00 0.00 O ATOM 0 H ASP A 44 4.984 -4.169 -10.829 1.00 0.00 H new ATOM 0 HA ASP A 44 6.430 -6.677 -11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.695 -3.898 -12.739 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.854 -5.191 -12.980 1.00 0.00 H new ATOM 690 N LEU A 45 7.353 -6.080 -9.245 1.00 0.00 N ATOM 691 CA LEU A 45 8.144 -5.905 -8.020 1.00 0.00 C ATOM 692 C LEU A 45 9.642 -6.145 -8.304 1.00 0.00 C ATOM 693 O LEU A 45 10.171 -7.236 -8.068 1.00 0.00 O ATOM 694 CB LEU A 45 7.593 -6.862 -6.916 1.00 0.00 C ATOM 695 CG LEU A 45 8.250 -6.761 -5.505 1.00 0.00 C ATOM 696 CD1 LEU A 45 8.044 -5.370 -4.879 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.737 -7.880 -4.563 1.00 0.00 C ATOM 0 H LEU A 45 6.781 -6.924 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 45 8.053 -4.880 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.525 -6.675 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.703 -7.887 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 45 9.323 -6.903 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.516 -5.339 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.493 -4.612 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.977 -5.172 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.214 -7.782 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.657 -7.793 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.979 -8.854 -4.989 1.00 0.00 H new ATOM 709 N VAL A 46 10.278 -5.125 -8.903 1.00 0.00 N ATOM 710 CA VAL A 46 11.709 -5.098 -9.241 1.00 0.00 C ATOM 711 C VAL A 46 12.242 -3.674 -9.002 1.00 0.00 C ATOM 712 O VAL A 46 11.501 -2.693 -9.168 1.00 0.00 O ATOM 713 CB VAL A 46 11.998 -5.522 -10.744 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.761 -7.031 -10.980 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.172 -4.676 -11.746 1.00 0.00 C ATOM 0 H VAL A 46 9.794 -4.269 -9.174 1.00 0.00 H new ATOM 0 HA VAL A 46 12.214 -5.824 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 46 13.055 -5.323 -10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.971 -7.274 -12.022 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.421 -7.609 -10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.724 -7.276 -10.753 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.397 -4.995 -12.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.109 -4.814 -11.549 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.429 -3.623 -11.631 1.00 0.00 H new ATOM 725 N VAL A 47 13.521 -3.570 -8.616 1.00 0.00 N ATOM 726 CA VAL A 47 14.194 -2.276 -8.423 1.00 0.00 C ATOM 727 C VAL A 47 14.379 -1.595 -9.792 1.00 0.00 C ATOM 728 O VAL A 47 15.156 -2.062 -10.631 1.00 0.00 O ATOM 729 CB VAL A 47 15.577 -2.461 -7.695 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.369 -1.136 -7.584 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.366 -3.095 -6.302 1.00 0.00 C ATOM 0 H VAL A 47 14.117 -4.376 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 47 13.576 -1.643 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 47 16.179 -3.134 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.315 -1.319 -7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.565 -0.744 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.786 -0.410 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.330 -3.218 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.730 -2.446 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.889 -4.069 -6.414 1.00 0.00 H new ATOM 741 N GLY A 48 13.611 -0.522 -10.008 1.00 0.00 N ATOM 742 CA GLY A 48 13.596 0.218 -11.269 1.00 0.00 C ATOM 743 C GLY A 48 12.247 0.129 -11.961 1.00 0.00 C ATOM 744 O GLY A 48 11.884 1.024 -12.735 1.00 0.00 O ATOM 0 H GLY A 48 12.978 -0.141 -9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.839 1.264 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.370 -0.174 -11.929 1.00 0.00 H new ATOM 748 N GLY A 49 11.506 -0.960 -11.671 1.00 0.00 N ATOM 749 CA GLY A 49 10.176 -1.200 -12.240 1.00 0.00 C ATOM 750 C GLY A 49 9.066 -0.563 -11.434 1.00 0.00 C ATOM 751 O GLY A 49 9.323 0.024 -10.391 1.00 0.00 O ATOM 0 H GLY A 49 11.818 -1.694 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.147 -0.812 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.002 -2.274 -12.303 1.00 0.00 H new ATOM 755 N ARG A 50 7.820 -0.691 -11.914 1.00 0.00 N ATOM 756 CA ARG A 50 6.658 -0.019 -11.307 1.00 0.00 C ATOM 757 C ARG A 50 5.608 -1.005 -10.782 1.00 0.00 C ATOM 758 O ARG A 50 5.685 -2.218 -10.985 1.00 0.00 O ATOM 759 CB ARG A 50 5.967 0.942 -12.326 1.00 0.00 C ATOM 760 CG ARG A 50 6.682 2.285 -12.569 1.00 0.00 C ATOM 761 CD ARG A 50 5.811 3.264 -13.382 1.00 0.00 C ATOM 762 NE ARG A 50 6.361 4.633 -13.395 1.00 0.00 N ATOM 763 CZ ARG A 50 5.678 5.747 -13.069 1.00 0.00 C ATOM 764 NH1 ARG A 50 4.396 5.683 -12.703 1.00 0.00 N ATOM 765 NH2 ARG A 50 6.281 6.926 -13.133 1.00 0.00 N ATOM 0 H ARG A 50 7.589 -1.259 -12.729 1.00 0.00 H new ATOM 0 HA ARG A 50 7.054 0.547 -10.463 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.873 0.423 -13.280 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.956 1.148 -11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.939 2.738 -11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.618 2.107 -13.098 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.722 2.902 -14.406 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.805 3.284 -12.963 1.00 0.00 H new ATOM 0 HE ARG A 50 7.336 4.745 -13.673 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.920 4.781 -12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.892 6.536 -12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.256 6.985 -13.428 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.770 7.774 -12.888 1.00 0.00 H new ATOM 779 N PHE A 51 4.641 -0.414 -10.072 1.00 0.00 N ATOM 780 CA PHE A 51 3.317 -0.993 -9.823 1.00 0.00 C ATOM 781 C PHE A 51 2.273 0.073 -10.175 1.00 0.00 C ATOM 782 O PHE A 51 2.613 1.256 -10.335 1.00 0.00 O ATOM 783 CB PHE A 51 3.138 -1.446 -8.343 1.00 0.00 C ATOM 784 CG PHE A 51 3.076 -0.304 -7.316 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.231 0.304 -6.851 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.858 0.152 -6.820 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.176 1.329 -5.937 1.00 0.00 C ATOM 788 CE2 PHE A 51 1.801 1.180 -5.902 1.00 0.00 C ATOM 789 CZ PHE A 51 2.961 1.767 -5.457 1.00 0.00 C ATOM 0 H PHE A 51 4.761 0.504 -9.644 1.00 0.00 H new ATOM 0 HA PHE A 51 3.198 -1.885 -10.437 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.223 -2.033 -8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.963 -2.107 -8.079 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.191 -0.033 -7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.941 -0.307 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.089 1.793 -5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.846 1.523 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.921 2.568 -4.734 1.00 0.00 H new ATOM 799 N CYS A 52 1.014 -0.346 -10.264 1.00 0.00 N ATOM 800 CA CYS A 52 -0.129 0.550 -10.385 1.00 0.00 C ATOM 801 C CYS A 52 -1.360 -0.142 -9.830 1.00 0.00 C ATOM 802 O CYS A 52 -1.545 -1.342 -10.027 1.00 0.00 O ATOM 803 CB CYS A 52 -0.375 0.967 -11.839 1.00 0.00 C ATOM 804 SG CYS A 52 -1.825 2.016 -12.062 1.00 0.00 S ATOM 0 H CYS A 52 0.757 -1.333 -10.254 1.00 0.00 H new ATOM 0 HA CYS A 52 0.084 1.456 -9.818 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.504 1.495 -12.209 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.489 0.071 -12.449 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.835 2.491 -13.272 1.00 0.00 H new ATOM 810 N HIS A 53 -2.176 0.599 -9.081 1.00 0.00 N ATOM 811 CA HIS A 53 -3.459 0.107 -8.584 1.00 0.00 C ATOM 812 C HIS A 53 -4.565 1.006 -9.132 1.00 0.00 C ATOM 813 O HIS A 53 -4.873 2.042 -8.538 1.00 0.00 O ATOM 814 CB HIS A 53 -3.478 0.080 -7.029 1.00 0.00 C ATOM 815 CG HIS A 53 -2.286 -0.591 -6.390 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.695 -1.728 -6.905 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.566 -0.269 -5.282 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.674 -2.073 -6.145 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.574 -1.208 -5.156 1.00 0.00 N ATOM 0 H HIS A 53 -1.966 1.557 -8.802 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.619 -0.917 -8.923 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.539 1.105 -6.663 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.383 -0.430 -6.700 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.742 0.569 -4.624 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.027 -2.923 -6.306 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.128 -1.233 -4.416 1.00 0.00 H new ATOM 828 N HIS A 54 -5.131 0.638 -10.295 1.00 0.00 N ATOM 829 CA HIS A 54 -6.235 1.399 -10.891 1.00 0.00 C ATOM 830 C HIS A 54 -7.526 1.061 -10.125 1.00 0.00 C ATOM 831 O HIS A 54 -8.254 0.122 -10.483 1.00 0.00 O ATOM 832 CB HIS A 54 -6.362 1.088 -12.412 1.00 0.00 C ATOM 833 CG HIS A 54 -7.424 1.897 -13.140 1.00 0.00 C ATOM 834 ND1 HIS A 54 -7.150 3.034 -13.867 1.00 0.00 N ATOM 835 CD2 HIS A 54 -8.760 1.718 -13.248 1.00 0.00 C ATOM 836 CE1 HIS A 54 -8.265 3.515 -14.384 1.00 0.00 C ATOM 837 NE2 HIS A 54 -9.255 2.734 -14.026 1.00 0.00 N ATOM 0 H HIS A 54 -4.842 -0.177 -10.836 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.043 2.469 -10.808 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.398 1.268 -12.887 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.585 0.028 -12.535 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.334 0.919 -12.802 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.348 4.400 -14.997 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.234 2.861 -14.284 1.00 0.00 H new ATOM 846 N MET A 55 -7.744 1.801 -9.030 1.00 0.00 N ATOM 847 CA MET A 55 -8.988 1.743 -8.264 1.00 0.00 C ATOM 848 C MET A 55 -10.025 2.593 -8.982 1.00 0.00 C ATOM 849 O MET A 55 -9.799 3.765 -9.224 1.00 0.00 O ATOM 850 CB MET A 55 -8.779 2.256 -6.815 1.00 0.00 C ATOM 851 CG MET A 55 -10.039 2.180 -5.935 1.00 0.00 C ATOM 852 SD MET A 55 -9.863 3.065 -4.371 1.00 0.00 S ATOM 853 CE MET A 55 -9.780 4.778 -4.910 1.00 0.00 C ATOM 0 H MET A 55 -7.060 2.456 -8.653 1.00 0.00 H new ATOM 0 HA MET A 55 -9.326 0.709 -8.195 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.985 1.675 -6.346 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.437 3.290 -6.853 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.885 2.591 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.270 1.135 -5.730 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.864 5.234 -4.534 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.784 4.817 -5.999 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.642 5.323 -4.524 1.00 0.00 H new ATOM 863 N ALA A 56 -11.168 1.988 -9.285 1.00 0.00 N ATOM 864 CA ALA A 56 -12.183 2.574 -10.153 1.00 0.00 C ATOM 865 C ALA A 56 -13.562 2.136 -9.686 1.00 0.00 C ATOM 866 O ALA A 56 -13.716 1.043 -9.138 1.00 0.00 O ATOM 867 CB ALA A 56 -11.947 2.158 -11.611 1.00 0.00 C ATOM 0 H ALA A 56 -11.419 1.065 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.118 3.661 -10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.713 2.604 -12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.964 2.502 -11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.996 1.072 -11.692 1.00 0.00 H new ATOM 873 N ALA A 57 -14.547 3.004 -9.893 1.00 0.00 N ATOM 874 CA ALA A 57 -15.939 2.724 -9.560 1.00 0.00 C ATOM 875 C ALA A 57 -16.492 1.590 -10.437 1.00 0.00 C ATOM 876 O ALA A 57 -16.333 1.602 -11.654 1.00 0.00 O ATOM 877 CB ALA A 57 -16.786 4.000 -9.697 1.00 0.00 C ATOM 0 H ALA A 57 -14.401 3.928 -10.299 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.990 2.393 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.823 3.777 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.405 4.764 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.732 4.364 -10.723 1.00 0.00 H new ATOM 883 N LYS A 58 -17.075 0.578 -9.795 1.00 0.00 N ATOM 884 CA LYS A 58 -17.871 -0.472 -10.457 1.00 0.00 C ATOM 885 C LYS A 58 -19.139 0.157 -11.076 1.00 0.00 C ATOM 886 O LYS A 58 -19.682 -0.340 -12.064 1.00 0.00 O ATOM 887 CB LYS A 58 -18.226 -1.578 -9.398 1.00 0.00 C ATOM 888 CG LYS A 58 -18.292 -3.039 -9.912 1.00 0.00 C ATOM 889 CD LYS A 58 -19.512 -3.336 -10.792 1.00 0.00 C ATOM 890 CE LYS A 58 -19.519 -4.787 -11.293 1.00 0.00 C ATOM 891 NZ LYS A 58 -20.711 -5.072 -12.139 1.00 0.00 N ATOM 0 H LYS A 58 -17.010 0.457 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.304 -0.937 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.488 -1.532 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.191 -1.329 -8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.387 -3.255 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.301 -3.714 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.423 -3.143 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.518 -2.658 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.612 -4.978 -11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.507 -5.466 -10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.681 -6.061 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.576 -4.913 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.709 -4.441 -12.966 1.00 0.00 H new ATOM 905 N ASP A 59 -19.563 1.292 -10.493 1.00 0.00 N ATOM 906 CA ASP A 59 -20.795 1.998 -10.866 1.00 0.00 C ATOM 907 C ASP A 59 -20.523 3.094 -11.926 1.00 0.00 C ATOM 908 O ASP A 59 -21.450 3.533 -12.615 1.00 0.00 O ATOM 909 CB ASP A 59 -21.436 2.600 -9.586 1.00 0.00 C ATOM 910 CG ASP A 59 -22.761 3.348 -9.833 1.00 0.00 C ATOM 911 OD1 ASP A 59 -23.748 2.706 -10.267 1.00 0.00 O ATOM 912 OD2 ASP A 59 -22.823 4.576 -9.608 1.00 0.00 O ATOM 0 H ASP A 59 -19.050 1.749 -9.739 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.489 1.290 -11.320 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.613 1.797 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.725 3.286 -9.126 1.00 0.00 H new ATOM 917 N GLY A 60 -19.252 3.516 -12.072 1.00 0.00 N ATOM 918 CA GLY A 60 -18.903 4.625 -12.974 1.00 0.00 C ATOM 919 C GLY A 60 -17.458 4.584 -13.477 1.00 0.00 C ATOM 920 O GLY A 60 -16.618 3.892 -12.920 1.00 0.00 O ATOM 0 H GLY A 60 -18.457 3.108 -11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -19.576 4.609 -13.831 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.070 5.569 -12.455 1.00 0.00 H new ATOM 924 N SER A 61 -17.171 5.375 -14.521 1.00 0.00 N ATOM 925 CA SER A 61 -15.859 5.380 -15.216 1.00 0.00 C ATOM 926 C SER A 61 -14.763 6.156 -14.434 1.00 0.00 C ATOM 927 O SER A 61 -13.606 6.198 -14.862 1.00 0.00 O ATOM 928 CB SER A 61 -16.037 5.964 -16.640 1.00 0.00 C ATOM 929 OG SER A 61 -17.024 5.240 -17.367 1.00 0.00 O ATOM 0 H SER A 61 -17.841 6.036 -14.915 1.00 0.00 H new ATOM 0 HA SER A 61 -15.512 4.348 -15.278 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.325 7.013 -16.574 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.087 5.928 -17.174 1.00 0.00 H new ATOM 0 HG SER A 61 -17.121 5.627 -18.262 1.00 0.00 H new ATOM 935 N ALA A 62 -15.132 6.755 -13.291 1.00 0.00 N ATOM 936 CA ALA A 62 -14.183 7.450 -12.397 1.00 0.00 C ATOM 937 C ALA A 62 -13.202 6.446 -11.765 1.00 0.00 C ATOM 938 O ALA A 62 -13.618 5.375 -11.332 1.00 0.00 O ATOM 939 CB ALA A 62 -14.951 8.227 -11.322 1.00 0.00 C ATOM 0 H ALA A 62 -16.096 6.773 -12.958 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.599 8.160 -12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.244 8.737 -10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.600 8.962 -11.798 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.556 7.535 -10.735 1.00 0.00 H new ATOM 945 N GLY A 63 -11.902 6.800 -11.718 1.00 0.00 N ATOM 946 CA GLY A 63 -10.871 5.887 -11.221 1.00 0.00 C ATOM 947 C GLY A 63 -9.496 6.535 -11.051 1.00 0.00 C ATOM 948 O GLY A 63 -9.032 7.241 -11.949 1.00 0.00 O ATOM 0 H GLY A 63 -11.549 7.709 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.191 5.481 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.783 5.046 -11.909 1.00 0.00 H new ATOM 952 N PHE A 64 -8.848 6.284 -9.898 1.00 0.00 N ATOM 953 CA PHE A 64 -7.484 6.758 -9.593 1.00 0.00 C ATOM 954 C PHE A 64 -6.466 5.612 -9.778 1.00 0.00 C ATOM 955 O PHE A 64 -6.754 4.457 -9.438 1.00 0.00 O ATOM 956 CB PHE A 64 -7.412 7.282 -8.135 1.00 0.00 C ATOM 957 CG PHE A 64 -8.381 8.434 -7.826 1.00 0.00 C ATOM 958 CD1 PHE A 64 -8.085 9.745 -8.202 1.00 0.00 C ATOM 959 CD2 PHE A 64 -9.590 8.201 -7.167 1.00 0.00 C ATOM 960 CE1 PHE A 64 -8.962 10.785 -7.922 1.00 0.00 C ATOM 961 CE2 PHE A 64 -10.465 9.241 -6.888 1.00 0.00 C ATOM 962 CZ PHE A 64 -10.152 10.532 -7.269 1.00 0.00 C ATOM 0 H PHE A 64 -9.262 5.739 -9.142 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.240 7.569 -10.279 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.620 6.456 -7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.394 7.615 -7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.160 9.954 -8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.848 7.195 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.713 11.794 -8.216 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.393 9.041 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.836 11.340 -7.057 1.00 0.00 H new ATOM 972 N ASP A 65 -5.275 5.940 -10.309 1.00 0.00 N ATOM 973 CA ASP A 65 -4.160 4.979 -10.460 1.00 0.00 C ATOM 974 C ASP A 65 -3.114 5.236 -9.369 1.00 0.00 C ATOM 975 O ASP A 65 -2.446 6.275 -9.380 1.00 0.00 O ATOM 976 CB ASP A 65 -3.496 5.111 -11.863 1.00 0.00 C ATOM 977 CG ASP A 65 -4.386 4.619 -13.013 1.00 0.00 C ATOM 978 OD1 ASP A 65 -5.340 5.335 -13.396 1.00 0.00 O ATOM 979 OD2 ASP A 65 -4.149 3.504 -13.537 1.00 0.00 O ATOM 0 H ASP A 65 -5.055 6.877 -10.646 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.558 3.969 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.237 6.156 -12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.564 4.546 -11.869 1.00 0.00 H new ATOM 984 N PHE A 66 -2.965 4.285 -8.439 1.00 0.00 N ATOM 985 CA PHE A 66 -1.962 4.367 -7.366 1.00 0.00 C ATOM 986 C PHE A 66 -0.684 3.717 -7.901 1.00 0.00 C ATOM 987 O PHE A 66 -0.405 2.538 -7.651 1.00 0.00 O ATOM 988 CB PHE A 66 -2.477 3.685 -6.065 1.00 0.00 C ATOM 989 CG PHE A 66 -3.747 4.339 -5.510 1.00 0.00 C ATOM 990 CD1 PHE A 66 -3.669 5.456 -4.678 1.00 0.00 C ATOM 991 CD2 PHE A 66 -5.013 3.858 -5.843 1.00 0.00 C ATOM 992 CE1 PHE A 66 -4.814 6.062 -4.191 1.00 0.00 C ATOM 993 CE2 PHE A 66 -6.154 4.467 -5.359 1.00 0.00 C ATOM 994 CZ PHE A 66 -6.056 5.569 -4.533 1.00 0.00 C ATOM 0 H PHE A 66 -3.534 3.439 -8.407 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.762 5.403 -7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.675 2.632 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.694 3.722 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.701 5.854 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.102 2.997 -6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.735 6.922 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.126 4.080 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.950 6.044 -4.156 1.00 0.00 H new ATOM 1004 N THR A 67 0.022 4.486 -8.747 1.00 0.00 N ATOM 1005 CA THR A 67 1.199 4.020 -9.488 1.00 0.00 C ATOM 1006 C THR A 67 2.480 4.654 -8.937 1.00 0.00 C ATOM 1007 O THR A 67 2.561 5.873 -8.765 1.00 0.00 O ATOM 1008 CB THR A 67 1.057 4.295 -11.035 1.00 0.00 C ATOM 1009 OG1 THR A 67 2.306 4.058 -11.711 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.556 5.710 -11.353 1.00 0.00 C ATOM 0 H THR A 67 -0.214 5.460 -8.936 1.00 0.00 H new ATOM 0 HA THR A 67 1.266 2.941 -9.350 1.00 0.00 H new ATOM 0 HB THR A 67 0.302 3.597 -11.398 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.660 3.183 -11.447 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.480 5.835 -12.433 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.424 5.859 -10.901 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.256 6.443 -10.951 1.00 0.00 H new ATOM 1018 N GLY A 68 3.481 3.803 -8.671 1.00 0.00 N ATOM 1019 CA GLY A 68 4.775 4.241 -8.161 1.00 0.00 C ATOM 1020 C GLY A 68 5.890 3.354 -8.668 1.00 0.00 C ATOM 1021 O GLY A 68 5.666 2.173 -8.948 1.00 0.00 O ATOM 0 H GLY A 68 3.410 2.794 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.959 5.271 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.763 4.228 -7.071 1.00 0.00 H new ATOM 1025 N THR A 69 7.091 3.918 -8.806 1.00 0.00 N ATOM 1026 CA THR A 69 8.270 3.177 -9.254 1.00 0.00 C ATOM 1027 C THR A 69 9.057 2.683 -8.034 1.00 0.00 C ATOM 1028 O THR A 69 9.476 3.498 -7.210 1.00 0.00 O ATOM 1029 CB THR A 69 9.186 4.101 -10.125 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.410 4.724 -11.161 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.350 3.329 -10.766 1.00 0.00 C ATOM 0 H THR A 69 7.273 4.902 -8.610 1.00 0.00 H new ATOM 0 HA THR A 69 7.949 2.325 -9.854 1.00 0.00 H new ATOM 0 HB THR A 69 9.607 4.855 -9.459 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.989 5.302 -11.701 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.957 4.013 -11.360 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.965 2.884 -9.984 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.955 2.543 -11.409 1.00 0.00 H new ATOM 1039 N PHE A 70 9.275 1.358 -7.947 1.00 0.00 N ATOM 1040 CA PHE A 70 10.063 0.740 -6.875 1.00 0.00 C ATOM 1041 C PHE A 70 11.526 1.200 -6.956 1.00 0.00 C ATOM 1042 O PHE A 70 12.177 1.030 -7.990 1.00 0.00 O ATOM 1043 CB PHE A 70 9.992 -0.801 -6.960 1.00 0.00 C ATOM 1044 CG PHE A 70 8.592 -1.399 -6.795 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.931 -1.327 -5.574 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.949 -2.049 -7.848 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.679 -1.891 -5.406 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.697 -2.611 -7.678 1.00 0.00 C ATOM 1049 CZ PHE A 70 6.062 -2.531 -6.458 1.00 0.00 C ATOM 0 H PHE A 70 8.907 0.688 -8.622 1.00 0.00 H new ATOM 0 HA PHE A 70 9.642 1.055 -5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.392 -1.115 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.642 -1.222 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.402 -0.823 -4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.436 -2.114 -8.810 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.184 -1.829 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.216 -3.114 -8.504 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.083 -2.969 -6.327 1.00 0.00 H new ATOM 1059 N THR A 71 12.010 1.812 -5.875 1.00 0.00 N ATOM 1060 CA THR A 71 13.381 2.324 -5.775 1.00 0.00 C ATOM 1061 C THR A 71 14.244 1.357 -4.950 1.00 0.00 C ATOM 1062 O THR A 71 15.375 1.039 -5.328 1.00 0.00 O ATOM 1063 CB THR A 71 13.368 3.742 -5.120 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.617 3.693 -3.888 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.741 4.791 -6.057 1.00 0.00 C ATOM 0 H THR A 71 11.456 1.969 -5.033 1.00 0.00 H new ATOM 0 HA THR A 71 13.810 2.403 -6.774 1.00 0.00 H new ATOM 0 HB THR A 71 14.400 4.034 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.609 4.581 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.748 5.766 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.316 4.844 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.714 4.507 -6.285 1.00 0.00 H new ATOM 1073 N ARG A 72 13.691 0.890 -3.829 1.00 0.00 N ATOM 1074 CA ARG A 72 14.379 -0.008 -2.894 1.00 0.00 C ATOM 1075 C ARG A 72 13.396 -1.096 -2.436 1.00 0.00 C ATOM 1076 O ARG A 72 12.405 -0.803 -1.774 1.00 0.00 O ATOM 1077 CB ARG A 72 14.915 0.854 -1.709 1.00 0.00 C ATOM 1078 CG ARG A 72 15.522 0.094 -0.516 1.00 0.00 C ATOM 1079 CD ARG A 72 16.063 1.047 0.576 1.00 0.00 C ATOM 1080 NE ARG A 72 16.598 0.305 1.732 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.580 0.717 2.556 1.00 0.00 C ATOM 1082 NH1 ARG A 72 18.175 1.893 2.384 1.00 0.00 N ATOM 1083 NH2 ARG A 72 17.941 -0.059 3.572 1.00 0.00 N ATOM 0 H ARG A 72 12.742 1.126 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 72 15.226 -0.513 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.672 1.534 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.095 1.469 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.765 -0.559 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.331 -0.546 -0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.846 1.677 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.265 1.711 0.908 1.00 0.00 H new ATOM 0 HE ARG A 72 16.185 -0.607 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.890 2.502 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.917 2.187 3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.476 -0.955 3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.683 0.241 4.204 1.00 0.00 H new ATOM 1097 N VAL A 73 13.687 -2.361 -2.795 1.00 0.00 N ATOM 1098 CA VAL A 73 12.834 -3.524 -2.460 1.00 0.00 C ATOM 1099 C VAL A 73 13.620 -4.465 -1.535 1.00 0.00 C ATOM 1100 O VAL A 73 14.614 -5.064 -1.963 1.00 0.00 O ATOM 1101 CB VAL A 73 12.364 -4.320 -3.749 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.479 -5.539 -3.373 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.634 -3.392 -4.750 1.00 0.00 C ATOM 0 H VAL A 73 14.521 -2.609 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 73 11.937 -3.151 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 73 13.260 -4.700 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.175 -6.061 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.046 -6.218 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.594 -5.195 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.325 -3.969 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.756 -2.960 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.307 -2.593 -5.063 1.00 0.00 H new ATOM 1113 N GLU A 74 13.196 -4.554 -0.263 1.00 0.00 N ATOM 1114 CA GLU A 74 13.783 -5.483 0.723 1.00 0.00 C ATOM 1115 C GLU A 74 12.664 -6.368 1.301 1.00 0.00 C ATOM 1116 O GLU A 74 12.123 -6.080 2.367 1.00 0.00 O ATOM 1117 CB GLU A 74 14.521 -4.702 1.853 1.00 0.00 C ATOM 1118 CG GLU A 74 15.607 -3.725 1.355 1.00 0.00 C ATOM 1119 CD GLU A 74 16.351 -3.019 2.502 1.00 0.00 C ATOM 1120 OE1 GLU A 74 15.753 -2.134 3.160 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.532 -3.344 2.756 1.00 0.00 O ATOM 0 H GLU A 74 12.437 -3.985 0.112 1.00 0.00 H new ATOM 0 HA GLU A 74 14.523 -6.114 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.785 -4.143 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.981 -5.420 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.326 -4.270 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.146 -2.975 0.712 1.00 0.00 H new ATOM 1128 N ALA A 75 12.304 -7.428 0.563 1.00 0.00 N ATOM 1129 CA ALA A 75 11.243 -8.358 0.959 1.00 0.00 C ATOM 1130 C ALA A 75 11.677 -9.213 2.175 1.00 0.00 C ATOM 1131 O ALA A 75 12.824 -9.672 2.210 1.00 0.00 O ATOM 1132 CB ALA A 75 10.880 -9.258 -0.233 1.00 0.00 C ATOM 0 H ALA A 75 12.743 -7.663 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 75 10.366 -7.784 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.091 -9.950 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.532 -8.641 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.759 -9.822 -0.544 1.00 0.00 H new ATOM 1138 N PRO A 76 10.794 -9.423 3.208 1.00 0.00 N ATOM 1139 CA PRO A 76 9.480 -8.758 3.362 1.00 0.00 C ATOM 1140 C PRO A 76 9.482 -7.596 4.393 1.00 0.00 C ATOM 1141 O PRO A 76 8.424 -7.199 4.866 1.00 0.00 O ATOM 1142 CB PRO A 76 8.619 -9.951 3.844 1.00 0.00 C ATOM 1143 CG PRO A 76 9.545 -10.790 4.686 1.00 0.00 C ATOM 1144 CD PRO A 76 10.975 -10.419 4.290 1.00 0.00 C ATOM 0 HA PRO A 76 9.133 -8.266 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.761 -9.609 4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.228 -10.521 3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.378 -10.601 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.362 -11.851 4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.527 -10.000 5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.533 -11.289 3.944 1.00 0.00 H new ATOM 1152 N THR A 77 10.673 -7.034 4.685 1.00 0.00 N ATOM 1153 CA THR A 77 10.886 -6.099 5.810 1.00 0.00 C ATOM 1154 C THR A 77 10.562 -4.629 5.460 1.00 0.00 C ATOM 1155 O THR A 77 10.088 -3.885 6.309 1.00 0.00 O ATOM 1156 CB THR A 77 12.363 -6.215 6.302 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.257 -6.086 5.180 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.630 -7.549 7.017 1.00 0.00 C ATOM 0 H THR A 77 11.518 -7.217 4.144 1.00 0.00 H new ATOM 0 HA THR A 77 10.191 -6.386 6.599 1.00 0.00 H new ATOM 0 HB THR A 77 12.536 -5.412 7.019 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.184 -6.157 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.670 -7.586 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.975 -7.634 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.434 -8.374 6.332 1.00 0.00 H new ATOM 1166 N ARG A 78 10.857 -4.203 4.224 1.00 0.00 N ATOM 1167 CA ARG A 78 10.600 -2.815 3.754 1.00 0.00 C ATOM 1168 C ARG A 78 10.238 -2.814 2.267 1.00 0.00 C ATOM 1169 O ARG A 78 10.714 -3.659 1.492 1.00 0.00 O ATOM 1170 CB ARG A 78 11.825 -1.870 3.981 1.00 0.00 C ATOM 1171 CG ARG A 78 11.989 -1.317 5.418 1.00 0.00 C ATOM 1172 CD ARG A 78 13.115 -0.267 5.508 1.00 0.00 C ATOM 1173 NE ARG A 78 12.914 0.818 4.527 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.873 1.609 4.016 1.00 0.00 C ATOM 1175 NH1 ARG A 78 15.138 1.461 4.381 1.00 0.00 N ATOM 1176 NH2 ARG A 78 13.549 2.518 3.103 1.00 0.00 N ATOM 0 H ARG A 78 11.280 -4.802 3.515 1.00 0.00 H new ATOM 0 HA ARG A 78 9.767 -2.435 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.733 -2.411 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.743 -1.027 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.050 -0.870 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.205 -2.139 6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.147 0.151 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.078 -0.747 5.331 1.00 0.00 H new ATOM 0 HE ARG A 78 11.959 0.982 4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.393 0.741 5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.857 2.067 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.581 2.610 2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.269 3.124 2.708 1.00 0.00 H new ATOM 1190 N LEU A 79 9.409 -1.837 1.873 1.00 0.00 N ATOM 1191 CA LEU A 79 9.111 -1.574 0.466 1.00 0.00 C ATOM 1192 C LEU A 79 9.126 -0.066 0.232 1.00 0.00 C ATOM 1193 O LEU A 79 8.202 0.638 0.639 1.00 0.00 O ATOM 1194 CB LEU A 79 7.740 -2.174 0.058 1.00 0.00 C ATOM 1195 CG LEU A 79 7.417 -2.112 -1.464 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.537 -2.781 -2.301 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.038 -2.742 -1.760 1.00 0.00 C ATOM 0 H LEU A 79 8.930 -1.212 2.521 1.00 0.00 H new ATOM 0 HA LEU A 79 9.871 -2.052 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.707 -3.215 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.955 -1.648 0.602 1.00 0.00 H new ATOM 0 HG LEU A 79 7.373 -1.063 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.284 -2.723 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.481 -2.265 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.635 -3.826 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.835 -2.687 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.039 -3.785 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.265 -2.199 -1.215 1.00 0.00 H new ATOM 1209 N SER A 80 10.153 0.409 -0.465 1.00 0.00 N ATOM 1210 CA SER A 80 10.347 1.833 -0.731 1.00 0.00 C ATOM 1211 C SER A 80 10.201 2.075 -2.229 1.00 0.00 C ATOM 1212 O SER A 80 10.713 1.304 -3.058 1.00 0.00 O ATOM 1213 CB SER A 80 11.726 2.317 -0.227 1.00 0.00 C ATOM 1214 OG SER A 80 11.883 3.730 -0.373 1.00 0.00 O ATOM 0 H SER A 80 10.879 -0.185 -0.864 1.00 0.00 H new ATOM 0 HA SER A 80 9.592 2.405 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.844 2.045 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.514 1.806 -0.780 1.00 0.00 H new ATOM 0 HG SER A 80 12.766 3.997 -0.042 1.00 0.00 H new ATOM 1220 N PHE A 81 9.494 3.143 -2.558 1.00 0.00 N ATOM 1221 CA PHE A 81 9.162 3.518 -3.918 1.00 0.00 C ATOM 1222 C PHE A 81 8.858 5.016 -3.958 1.00 0.00 C ATOM 1223 O PHE A 81 8.680 5.654 -2.924 1.00 0.00 O ATOM 1224 CB PHE A 81 7.959 2.675 -4.455 1.00 0.00 C ATOM 1225 CG PHE A 81 6.722 2.613 -3.545 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.694 3.555 -3.645 1.00 0.00 C ATOM 1227 CD2 PHE A 81 6.581 1.593 -2.603 1.00 0.00 C ATOM 1228 CE1 PHE A 81 4.575 3.474 -2.837 1.00 0.00 C ATOM 1229 CE2 PHE A 81 5.461 1.513 -1.798 1.00 0.00 C ATOM 1230 CZ PHE A 81 4.457 2.451 -1.912 1.00 0.00 C ATOM 0 H PHE A 81 9.125 3.792 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 81 10.010 3.309 -4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.656 3.083 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.305 1.657 -4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.775 4.357 -4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.361 0.853 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.791 4.211 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.372 0.713 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.582 2.388 -1.282 1.00 0.00 H new ATOM 1240 N VAL A 82 8.828 5.577 -5.163 1.00 0.00 N ATOM 1241 CA VAL A 82 8.431 6.968 -5.391 1.00 0.00 C ATOM 1242 C VAL A 82 7.194 6.960 -6.290 1.00 0.00 C ATOM 1243 O VAL A 82 7.228 6.400 -7.384 1.00 0.00 O ATOM 1244 CB VAL A 82 9.597 7.813 -6.037 1.00 0.00 C ATOM 1245 CG1 VAL A 82 9.134 9.248 -6.372 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.833 7.845 -5.107 1.00 0.00 C ATOM 0 H VAL A 82 9.080 5.078 -6.016 1.00 0.00 H new ATOM 0 HA VAL A 82 8.203 7.444 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 82 9.879 7.326 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.961 9.803 -6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.305 9.207 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.809 9.748 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.624 8.433 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.559 8.296 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.188 6.828 -4.939 1.00 0.00 H new ATOM 1256 N MET A 83 6.117 7.598 -5.816 1.00 0.00 N ATOM 1257 CA MET A 83 4.818 7.641 -6.501 1.00 0.00 C ATOM 1258 C MET A 83 4.947 8.500 -7.786 1.00 0.00 C ATOM 1259 O MET A 83 5.916 9.254 -7.933 1.00 0.00 O ATOM 1260 CB MET A 83 3.752 8.208 -5.514 1.00 0.00 C ATOM 1261 CG MET A 83 2.284 8.088 -5.953 1.00 0.00 C ATOM 1262 SD MET A 83 1.675 6.388 -6.053 1.00 0.00 S ATOM 1263 CE MET A 83 1.741 5.841 -4.343 1.00 0.00 C ATOM 0 H MET A 83 6.123 8.107 -4.932 1.00 0.00 H new ATOM 0 HA MET A 83 4.499 6.644 -6.805 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.866 7.697 -4.558 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.972 9.261 -5.341 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.661 8.644 -5.253 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.169 8.561 -6.928 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.376 4.959 -4.268 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.151 6.637 -3.722 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.736 5.595 -4.001 1.00 0.00 H new ATOM 1273 N ASP A 84 3.975 8.380 -8.701 1.00 0.00 N ATOM 1274 CA ASP A 84 4.038 8.970 -10.063 1.00 0.00 C ATOM 1275 C ASP A 84 4.232 10.509 -10.068 1.00 0.00 C ATOM 1276 O ASP A 84 4.860 11.061 -10.986 1.00 0.00 O ATOM 1277 CB ASP A 84 2.760 8.586 -10.845 1.00 0.00 C ATOM 1278 CG ASP A 84 2.783 9.011 -12.320 1.00 0.00 C ATOM 1279 OD1 ASP A 84 3.602 8.456 -13.081 1.00 0.00 O ATOM 1280 OD2 ASP A 84 2.002 9.910 -12.722 1.00 0.00 O ATOM 0 H ASP A 84 3.111 7.868 -8.523 1.00 0.00 H new ATOM 0 HA ASP A 84 4.923 8.558 -10.548 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.623 7.506 -10.790 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.897 9.042 -10.359 1.00 0.00 H new ATOM 1285 N ASP A 85 3.696 11.195 -9.042 1.00 0.00 N ATOM 1286 CA ASP A 85 3.788 12.675 -8.935 1.00 0.00 C ATOM 1287 C ASP A 85 5.123 13.121 -8.283 1.00 0.00 C ATOM 1288 O ASP A 85 5.474 14.304 -8.329 1.00 0.00 O ATOM 1289 CB ASP A 85 2.568 13.229 -8.147 1.00 0.00 C ATOM 1290 CG ASP A 85 2.334 14.748 -8.341 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.604 15.129 -9.283 1.00 0.00 O ATOM 1292 OD2 ASP A 85 2.873 15.563 -7.564 1.00 0.00 O ATOM 0 H ASP A 85 3.193 10.754 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 85 3.772 13.089 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.672 12.691 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.710 13.026 -7.086 1.00 0.00 H new ATOM 1297 N GLY A 86 5.888 12.151 -7.736 1.00 0.00 N ATOM 1298 CA GLY A 86 7.156 12.429 -7.028 1.00 0.00 C ATOM 1299 C GLY A 86 7.137 12.114 -5.528 1.00 0.00 C ATOM 1300 O GLY A 86 8.187 12.157 -4.892 1.00 0.00 O ATOM 0 H GLY A 86 5.646 11.161 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.952 11.850 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.407 13.481 -7.161 1.00 0.00 H new ATOM 1304 N ARG A 87 5.962 11.762 -4.973 1.00 0.00 N ATOM 1305 CA ARG A 87 5.793 11.502 -3.511 1.00 0.00 C ATOM 1306 C ARG A 87 6.495 10.192 -3.091 1.00 0.00 C ATOM 1307 O ARG A 87 6.013 9.113 -3.403 1.00 0.00 O ATOM 1308 CB ARG A 87 4.276 11.448 -3.105 1.00 0.00 C ATOM 1309 CG ARG A 87 3.542 12.816 -3.072 1.00 0.00 C ATOM 1310 CD ARG A 87 3.411 13.468 -4.450 1.00 0.00 C ATOM 1311 NE ARG A 87 2.763 14.790 -4.393 1.00 0.00 N ATOM 1312 CZ ARG A 87 1.466 15.028 -4.603 1.00 0.00 C ATOM 1313 NH1 ARG A 87 0.628 14.040 -4.908 1.00 0.00 N ATOM 1314 NH2 ARG A 87 1.002 16.259 -4.495 1.00 0.00 N ATOM 0 H ARG A 87 5.103 11.648 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 87 6.260 12.334 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.755 10.793 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.198 10.990 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.548 12.676 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.080 13.493 -2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.401 13.572 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.835 12.813 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 87 3.355 15.591 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.974 13.083 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.360 14.239 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.633 17.023 -4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.012 16.447 -4.654 1.00 0.00 H new ATOM 1328 N GLU A 88 7.612 10.297 -2.342 1.00 0.00 N ATOM 1329 CA GLU A 88 8.393 9.121 -1.918 1.00 0.00 C ATOM 1330 C GLU A 88 7.718 8.477 -0.698 1.00 0.00 C ATOM 1331 O GLU A 88 7.537 9.130 0.342 1.00 0.00 O ATOM 1332 CB GLU A 88 9.868 9.517 -1.628 1.00 0.00 C ATOM 1333 CG GLU A 88 10.843 8.333 -1.357 1.00 0.00 C ATOM 1334 CD GLU A 88 11.025 7.981 0.130 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.789 8.696 0.817 1.00 0.00 O ATOM 1336 OE2 GLU A 88 10.423 7.003 0.619 1.00 0.00 O ATOM 0 H GLU A 88 7.992 11.187 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 88 8.417 8.386 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.245 10.088 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.884 10.182 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.478 7.451 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.817 8.577 -1.781 1.00 0.00 H new ATOM 1343 N VAL A 89 7.338 7.196 -0.869 1.00 0.00 N ATOM 1344 CA VAL A 89 6.619 6.389 0.125 1.00 0.00 C ATOM 1345 C VAL A 89 7.456 5.141 0.458 1.00 0.00 C ATOM 1346 O VAL A 89 7.940 4.460 -0.449 1.00 0.00 O ATOM 1347 CB VAL A 89 5.205 5.925 -0.418 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.366 5.219 0.681 1.00 0.00 C ATOM 1349 CG2 VAL A 89 4.439 7.105 -1.059 1.00 0.00 C ATOM 0 H VAL A 89 7.530 6.683 -1.729 1.00 0.00 H new ATOM 0 HA VAL A 89 6.463 7.002 1.013 1.00 0.00 H new ATOM 0 HB VAL A 89 5.381 5.186 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.404 4.917 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.900 4.338 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.204 5.905 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.472 6.757 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.286 7.887 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.017 7.505 -1.892 1.00 0.00 H new ATOM 1359 N ASP A 90 7.595 4.842 1.748 1.00 0.00 N ATOM 1360 CA ASP A 90 8.276 3.642 2.247 1.00 0.00 C ATOM 1361 C ASP A 90 7.370 2.957 3.268 1.00 0.00 C ATOM 1362 O ASP A 90 6.868 3.608 4.186 1.00 0.00 O ATOM 1363 CB ASP A 90 9.634 3.990 2.900 1.00 0.00 C ATOM 1364 CG ASP A 90 10.329 2.776 3.554 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.569 1.756 2.869 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.651 2.842 4.756 1.00 0.00 O ATOM 0 H ASP A 90 7.231 5.437 2.493 1.00 0.00 H new ATOM 0 HA ASP A 90 8.477 2.977 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.295 4.413 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.479 4.761 3.655 1.00 0.00 H new ATOM 1371 N VAL A 91 7.189 1.646 3.107 1.00 0.00 N ATOM 1372 CA VAL A 91 6.283 0.833 3.919 1.00 0.00 C ATOM 1373 C VAL A 91 7.129 -0.173 4.722 1.00 0.00 C ATOM 1374 O VAL A 91 7.739 -1.078 4.146 1.00 0.00 O ATOM 1375 CB VAL A 91 5.214 0.092 3.021 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.149 -0.639 3.879 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.546 1.070 2.020 1.00 0.00 C ATOM 0 H VAL A 91 7.679 1.108 2.393 1.00 0.00 H new ATOM 0 HA VAL A 91 5.725 1.475 4.601 1.00 0.00 H new ATOM 0 HB VAL A 91 5.746 -0.666 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.433 -1.136 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.637 -1.380 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.627 0.085 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.816 0.531 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.045 1.867 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.307 1.501 1.369 1.00 0.00 H new ATOM 1387 N GLN A 92 7.153 0.009 6.050 1.00 0.00 N ATOM 1388 CA GLN A 92 8.005 -0.755 6.964 1.00 0.00 C ATOM 1389 C GLN A 92 7.182 -1.876 7.622 1.00 0.00 C ATOM 1390 O GLN A 92 6.251 -1.609 8.379 1.00 0.00 O ATOM 1391 CB GLN A 92 8.601 0.174 8.076 1.00 0.00 C ATOM 1392 CG GLN A 92 9.350 1.439 7.578 1.00 0.00 C ATOM 1393 CD GLN A 92 8.465 2.688 7.382 1.00 0.00 C ATOM 1394 OE1 GLN A 92 7.283 2.617 7.042 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.047 3.853 7.618 1.00 0.00 N ATOM 0 H GLN A 92 6.572 0.701 6.523 1.00 0.00 H new ATOM 0 HA GLN A 92 8.826 -1.186 6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.789 0.491 8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.288 -0.415 8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.139 1.680 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.837 1.205 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.027 3.886 7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.515 4.718 7.520 1.00 0.00 H new ATOM 1404 N PHE A 93 7.546 -3.123 7.313 1.00 0.00 N ATOM 1405 CA PHE A 93 6.927 -4.328 7.889 1.00 0.00 C ATOM 1406 C PHE A 93 7.886 -4.892 8.958 1.00 0.00 C ATOM 1407 O PHE A 93 9.113 -4.789 8.818 1.00 0.00 O ATOM 1408 CB PHE A 93 6.693 -5.406 6.792 1.00 0.00 C ATOM 1409 CG PHE A 93 5.894 -4.952 5.562 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.516 -4.268 4.512 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.532 -5.224 5.445 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.800 -3.882 3.392 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.817 -4.834 4.323 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.452 -4.163 3.298 1.00 0.00 C ATOM 0 H PHE A 93 8.289 -3.331 6.646 1.00 0.00 H new ATOM 0 HA PHE A 93 5.963 -4.069 8.326 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.664 -5.770 6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.175 -6.251 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.569 -4.038 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.025 -5.748 6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.298 -3.359 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.762 -5.056 4.251 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.895 -3.858 2.424 1.00 0.00 H new ATOM 1424 N ALA A 94 7.326 -5.491 10.012 1.00 0.00 N ATOM 1425 CA ALA A 94 8.099 -5.969 11.161 1.00 0.00 C ATOM 1426 C ALA A 94 7.338 -7.080 11.877 1.00 0.00 C ATOM 1427 O ALA A 94 6.426 -6.810 12.653 1.00 0.00 O ATOM 1428 CB ALA A 94 8.406 -4.811 12.122 1.00 0.00 C ATOM 0 H ALA A 94 6.323 -5.658 10.093 1.00 0.00 H new ATOM 0 HA ALA A 94 9.047 -6.372 10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.981 -5.184 12.970 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.983 -4.048 11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.472 -4.378 12.480 1.00 0.00 H new ATOM 1434 N SER A 95 7.715 -8.328 11.585 1.00 0.00 N ATOM 1435 CA SER A 95 7.187 -9.516 12.275 1.00 0.00 C ATOM 1436 C SER A 95 7.374 -9.370 13.806 1.00 0.00 C ATOM 1437 O SER A 95 8.464 -9.011 14.262 1.00 0.00 O ATOM 1438 CB SER A 95 7.906 -10.770 11.740 1.00 0.00 C ATOM 1439 OG SER A 95 7.349 -11.954 12.271 1.00 0.00 O ATOM 0 H SER A 95 8.398 -8.547 10.860 1.00 0.00 H new ATOM 0 HA SER A 95 6.119 -9.615 12.080 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.840 -10.792 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.965 -10.719 11.994 1.00 0.00 H new ATOM 0 HG SER A 95 7.826 -12.730 11.911 1.00 0.00 H new ATOM 1445 N GLU A 96 6.302 -9.632 14.579 1.00 0.00 N ATOM 1446 CA GLU A 96 6.248 -9.341 16.030 1.00 0.00 C ATOM 1447 C GLU A 96 5.500 -10.476 16.780 1.00 0.00 C ATOM 1448 O GLU A 96 4.714 -11.197 16.158 1.00 0.00 O ATOM 1449 CB GLU A 96 5.547 -7.969 16.268 1.00 0.00 C ATOM 1450 CG GLU A 96 4.054 -7.933 15.881 1.00 0.00 C ATOM 1451 CD GLU A 96 3.342 -6.613 16.233 1.00 0.00 C ATOM 1452 OE1 GLU A 96 3.431 -6.165 17.393 1.00 0.00 O ATOM 1453 OE2 GLU A 96 2.643 -6.047 15.382 1.00 0.00 O ATOM 0 H GLU A 96 5.446 -10.052 14.217 1.00 0.00 H new ATOM 0 HA GLU A 96 7.264 -9.287 16.421 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.642 -7.706 17.321 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.074 -7.203 15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.964 -8.107 14.809 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.541 -8.754 16.381 1.00 0.00 H new ATOM 1460 N PRO A 97 5.741 -10.681 18.120 1.00 0.00 N ATOM 1461 CA PRO A 97 4.969 -11.655 18.937 1.00 0.00 C ATOM 1462 C PRO A 97 3.454 -11.306 18.997 1.00 0.00 C ATOM 1463 O PRO A 97 3.009 -10.536 19.854 1.00 0.00 O ATOM 1464 CB PRO A 97 5.647 -11.586 20.341 1.00 0.00 C ATOM 1465 CG PRO A 97 6.993 -10.972 20.091 1.00 0.00 C ATOM 1466 CD PRO A 97 6.800 -10.022 18.933 1.00 0.00 C ATOM 0 HA PRO A 97 4.991 -12.659 18.514 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.060 -10.983 21.034 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.741 -12.578 20.783 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.353 -10.445 20.974 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.733 -11.735 19.852 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.490 -9.033 19.272 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.720 -9.890 18.364 1.00 0.00 H new ATOM 1474 N GLY A 98 2.696 -11.841 18.030 1.00 0.00 N ATOM 1475 CA GLY A 98 1.261 -11.563 17.888 1.00 0.00 C ATOM 1476 C GLY A 98 0.840 -11.535 16.425 1.00 0.00 C ATOM 1477 O GLY A 98 -0.288 -11.917 16.085 1.00 0.00 O ATOM 0 H GLY A 98 3.062 -12.479 17.324 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.688 -12.324 18.418 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.027 -10.606 18.353 1.00 0.00 H new ATOM 1481 N GLY A 99 1.772 -11.100 15.555 1.00 0.00 N ATOM 1482 CA GLY A 99 1.503 -10.958 14.129 1.00 0.00 C ATOM 1483 C GLY A 99 2.635 -10.239 13.404 1.00 0.00 C ATOM 1484 O GLY A 99 3.768 -10.732 13.380 1.00 0.00 O ATOM 0 H GLY A 99 2.721 -10.842 15.827 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.358 -11.944 13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.574 -10.406 13.988 1.00 0.00 H new ATOM 1488 N THR A 100 2.322 -9.077 12.810 1.00 0.00 N ATOM 1489 CA THR A 100 3.267 -8.247 12.052 1.00 0.00 C ATOM 1490 C THR A 100 2.841 -6.771 12.140 1.00 0.00 C ATOM 1491 O THR A 100 1.693 -6.432 11.831 1.00 0.00 O ATOM 1492 CB THR A 100 3.351 -8.697 10.551 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.896 -10.026 10.477 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.206 -7.750 9.688 1.00 0.00 C ATOM 0 H THR A 100 1.383 -8.681 12.845 1.00 0.00 H new ATOM 0 HA THR A 100 4.258 -8.370 12.490 1.00 0.00 H new ATOM 0 HB THR A 100 2.336 -8.671 10.154 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.168 -10.681 10.516 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.227 -8.113 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.775 -6.749 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.222 -7.717 10.082 1.00 0.00 H new ATOM 1502 N TRP A 101 3.767 -5.908 12.565 1.00 0.00 N ATOM 1503 CA TRP A 101 3.587 -4.455 12.529 1.00 0.00 C ATOM 1504 C TRP A 101 3.897 -3.952 11.121 1.00 0.00 C ATOM 1505 O TRP A 101 4.956 -4.234 10.573 1.00 0.00 O ATOM 1506 CB TRP A 101 4.524 -3.765 13.553 1.00 0.00 C ATOM 1507 CG TRP A 101 4.489 -2.247 13.518 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.402 -1.448 13.731 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.590 -1.354 13.260 1.00 0.00 C ATOM 1510 NE1 TRP A 101 3.758 -0.132 13.627 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.090 -0.045 13.345 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.947 -1.533 12.973 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 5.890 1.074 13.160 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 7.747 -0.422 12.788 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.216 0.868 12.884 1.00 0.00 C ATOM 0 H TRP A 101 4.667 -6.199 12.946 1.00 0.00 H new ATOM 0 HA TRP A 101 2.557 -4.214 12.791 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.254 -4.099 14.555 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.546 -4.096 13.371 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.406 -1.804 13.950 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.127 0.661 13.742 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.364 -2.526 12.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.482 2.071 13.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.796 -0.551 12.566 1.00 0.00 H new ATOM 0 HH2 TRP A 101 7.864 1.719 12.738 1.00 0.00 H new ATOM 1526 N VAL A 102 2.946 -3.224 10.548 1.00 0.00 N ATOM 1527 CA VAL A 102 3.090 -2.574 9.242 1.00 0.00 C ATOM 1528 C VAL A 102 3.013 -1.063 9.468 1.00 0.00 C ATOM 1529 O VAL A 102 2.257 -0.607 10.320 1.00 0.00 O ATOM 1530 CB VAL A 102 1.960 -3.037 8.239 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.161 -2.444 6.820 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.862 -4.579 8.192 1.00 0.00 C ATOM 0 H VAL A 102 2.037 -3.063 10.981 1.00 0.00 H new ATOM 0 HA VAL A 102 4.045 -2.852 8.795 1.00 0.00 H new ATOM 0 HB VAL A 102 1.014 -2.647 8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.361 -2.789 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.141 -1.356 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.122 -2.770 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.077 -4.873 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.814 -4.994 7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.625 -4.959 9.186 1.00 0.00 H new ATOM 1542 N GLN A 103 3.808 -0.312 8.724 1.00 0.00 N ATOM 1543 CA GLN A 103 3.847 1.153 8.784 1.00 0.00 C ATOM 1544 C GLN A 103 3.930 1.676 7.356 1.00 0.00 C ATOM 1545 O GLN A 103 4.652 1.111 6.560 1.00 0.00 O ATOM 1546 CB GLN A 103 5.082 1.623 9.610 1.00 0.00 C ATOM 1547 CG GLN A 103 5.174 3.148 9.846 1.00 0.00 C ATOM 1548 CD GLN A 103 6.476 3.605 10.529 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.527 2.984 10.386 1.00 0.00 O ATOM 1550 NE2 GLN A 103 6.416 4.703 11.272 1.00 0.00 N ATOM 0 H GLN A 103 4.460 -0.705 8.045 1.00 0.00 H new ATOM 0 HA GLN A 103 2.952 1.539 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.064 1.122 10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.987 1.295 9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.082 3.659 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.327 3.461 10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.532 5.201 11.375 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.254 5.049 11.740 1.00 0.00 H new ATOM 1559 N GLU A 104 3.174 2.721 7.020 1.00 0.00 N ATOM 1560 CA GLU A 104 3.253 3.365 5.700 1.00 0.00 C ATOM 1561 C GLU A 104 3.596 4.854 5.881 1.00 0.00 C ATOM 1562 O GLU A 104 2.789 5.648 6.365 1.00 0.00 O ATOM 1563 CB GLU A 104 1.935 3.160 4.910 1.00 0.00 C ATOM 1564 CG GLU A 104 1.901 3.823 3.516 1.00 0.00 C ATOM 1565 CD GLU A 104 0.624 3.493 2.715 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.466 3.998 3.075 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.705 2.734 1.719 1.00 0.00 O ATOM 0 H GLU A 104 2.492 3.146 7.648 1.00 0.00 H new ATOM 0 HA GLU A 104 4.045 2.902 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.763 2.090 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.109 3.552 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.979 4.904 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.773 3.500 2.946 1.00 0.00 H new ATOM 1574 N THR A 105 4.832 5.197 5.526 1.00 0.00 N ATOM 1575 CA THR A 105 5.350 6.560 5.586 1.00 0.00 C ATOM 1576 C THR A 105 5.337 7.153 4.177 1.00 0.00 C ATOM 1577 O THR A 105 6.026 6.654 3.298 1.00 0.00 O ATOM 1578 CB THR A 105 6.801 6.557 6.155 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.811 5.871 7.415 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.362 7.976 6.339 1.00 0.00 C ATOM 0 H THR A 105 5.514 4.521 5.182 1.00 0.00 H new ATOM 0 HA THR A 105 4.725 7.164 6.244 1.00 0.00 H new ATOM 0 HB THR A 105 7.439 6.047 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.402 6.342 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.375 7.918 6.738 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.379 8.488 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.730 8.530 7.033 1.00 0.00 H new ATOM 1588 N PHE A 106 4.577 8.232 3.964 1.00 0.00 N ATOM 1589 CA PHE A 106 4.368 8.806 2.625 1.00 0.00 C ATOM 1590 C PHE A 106 4.632 10.310 2.637 1.00 0.00 C ATOM 1591 O PHE A 106 4.330 10.986 3.623 1.00 0.00 O ATOM 1592 CB PHE A 106 2.932 8.499 2.110 1.00 0.00 C ATOM 1593 CG PHE A 106 1.781 9.001 2.997 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.310 8.233 4.062 1.00 0.00 C ATOM 1595 CD2 PHE A 106 1.160 10.229 2.749 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.262 8.675 4.848 1.00 0.00 C ATOM 1597 CE2 PHE A 106 0.116 10.669 3.537 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.336 9.892 4.586 1.00 0.00 C ATOM 0 H PHE A 106 4.091 8.732 4.708 1.00 0.00 H new ATOM 0 HA PHE A 106 5.078 8.342 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.820 8.939 1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.831 7.420 1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.770 7.280 4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.502 10.842 1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.090 8.067 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.348 11.622 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.155 10.236 5.200 1.00 0.00 H new ATOM 1608 N ASP A 107 5.210 10.821 1.536 1.00 0.00 N ATOM 1609 CA ASP A 107 5.385 12.275 1.326 1.00 0.00 C ATOM 1610 C ASP A 107 4.007 12.943 1.115 1.00 0.00 C ATOM 1611 O ASP A 107 3.179 12.431 0.354 1.00 0.00 O ATOM 1612 CB ASP A 107 6.325 12.544 0.121 1.00 0.00 C ATOM 1613 CG ASP A 107 6.579 14.043 -0.130 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.477 14.626 0.522 1.00 0.00 O ATOM 1615 OD2 ASP A 107 5.874 14.651 -0.963 1.00 0.00 O ATOM 0 H ASP A 107 5.567 10.247 0.772 1.00 0.00 H new ATOM 0 HA ASP A 107 5.849 12.708 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.278 12.045 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.891 12.101 -0.775 1.00 0.00 H new ATOM 1620 N ALA A 108 3.781 14.089 1.782 1.00 0.00 N ATOM 1621 CA ALA A 108 2.459 14.736 1.842 1.00 0.00 C ATOM 1622 C ALA A 108 2.197 15.673 0.641 1.00 0.00 C ATOM 1623 O ALA A 108 3.104 16.355 0.168 1.00 0.00 O ATOM 1624 CB ALA A 108 2.317 15.500 3.163 1.00 0.00 C ATOM 0 H ALA A 108 4.507 14.591 2.293 1.00 0.00 H new ATOM 0 HA ALA A 108 1.707 13.948 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.338 15.977 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.417 14.806 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.095 16.261 3.229 1.00 0.00 H new ATOM 1630 N GLU A 109 0.932 15.691 0.188 1.00 0.00 N ATOM 1631 CA GLU A 109 0.434 16.572 -0.902 1.00 0.00 C ATOM 1632 C GLU A 109 0.109 17.981 -0.357 1.00 0.00 C ATOM 1633 O GLU A 109 -0.380 18.106 0.762 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.861 15.972 -1.531 1.00 0.00 C ATOM 1635 CG GLU A 109 -0.793 14.471 -1.868 1.00 0.00 C ATOM 1636 CD GLU A 109 -2.046 13.959 -2.601 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -2.124 14.105 -3.840 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -2.966 13.426 -1.943 1.00 0.00 O ATOM 0 H GLU A 109 0.207 15.085 0.571 1.00 0.00 H new ATOM 0 HA GLU A 109 1.216 16.644 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.690 16.136 -0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.091 16.523 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.085 14.283 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.661 13.904 -0.947 1.00 0.00 H new ATOM 1688 N THR A 113 -5.449 18.098 1.997 1.00 0.00 N ATOM 1689 CA THR A 113 -5.268 18.313 3.444 1.00 0.00 C ATOM 1690 C THR A 113 -4.533 17.108 4.092 1.00 0.00 C ATOM 1691 O THR A 113 -4.999 15.985 3.929 1.00 0.00 O ATOM 1692 CB THR A 113 -6.655 18.521 4.125 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.339 19.610 3.488 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.556 18.792 5.637 1.00 0.00 C ATOM 0 HA THR A 113 -4.658 19.205 3.588 1.00 0.00 H new ATOM 0 HB THR A 113 -7.209 17.590 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.013 19.708 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.556 18.927 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.073 17.947 6.127 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.968 19.694 5.807 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.353 17.326 4.782 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.567 16.255 5.470 1.00 0.00 C ATOM 1704 C PRO A 114 -3.404 15.313 6.361 1.00 0.00 C ATOM 1705 O PRO A 114 -3.143 14.111 6.407 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.551 17.059 6.308 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.318 18.293 5.508 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.662 18.641 4.909 1.00 0.00 C ATOM 0 HA PRO A 114 -2.120 15.571 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.946 17.293 7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.627 16.501 6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.945 19.103 6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.573 18.123 4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.219 19.324 5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.553 19.129 3.941 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.386 15.879 7.084 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.358 15.097 7.883 1.00 0.00 C ATOM 1718 C ALA A 115 -6.155 14.111 7.014 1.00 0.00 C ATOM 1719 O ALA A 115 -6.338 12.945 7.382 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.301 16.052 8.629 1.00 0.00 C ATOM 0 H ALA A 115 -4.532 16.887 7.134 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.801 14.502 8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.015 15.474 9.216 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.720 16.692 9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.839 16.669 7.909 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.620 14.607 5.860 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.399 13.810 4.898 1.00 0.00 C ATOM 1728 C GLN A 116 -6.511 12.808 4.139 1.00 0.00 C ATOM 1729 O GLN A 116 -7.003 11.781 3.680 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.152 14.742 3.918 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.198 15.674 4.580 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.434 14.958 5.173 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.367 13.821 5.636 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -11.578 15.628 5.181 1.00 0.00 N ATOM 0 H GLN A 116 -6.468 15.572 5.565 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.132 13.228 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.422 15.356 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.655 14.129 3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.708 16.237 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.538 16.397 3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.620 16.571 4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.416 15.201 5.575 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.210 13.119 4.002 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.227 12.181 3.428 1.00 0.00 C ATOM 1745 C GLN A 117 -4.049 11.005 4.380 1.00 0.00 C ATOM 1746 O GLN A 117 -4.145 9.853 3.988 1.00 0.00 O ATOM 1747 CB GLN A 117 -2.852 12.845 3.216 1.00 0.00 C ATOM 1748 CG GLN A 117 -2.863 14.112 2.357 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.475 14.706 2.228 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -0.497 13.978 2.173 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.366 16.021 2.237 1.00 0.00 N ATOM 0 H GLN A 117 -4.813 14.016 4.282 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.605 11.855 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.431 13.091 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.183 12.119 2.754 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.254 13.878 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.535 14.847 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.203 16.602 2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.445 16.457 2.197 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.782 11.339 5.653 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.659 10.364 6.743 1.00 0.00 C ATOM 1762 C GLN A 118 -4.910 9.471 6.793 1.00 0.00 C ATOM 1763 O GLN A 118 -4.809 8.271 6.989 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.453 11.095 8.101 1.00 0.00 C ATOM 1765 CG GLN A 118 -3.291 10.163 9.318 1.00 0.00 C ATOM 1766 CD GLN A 118 -3.189 10.910 10.653 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -2.101 11.250 11.102 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -4.318 11.173 11.294 1.00 0.00 N ATOM 0 H GLN A 118 -3.645 12.304 5.955 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.789 9.734 6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.569 11.729 8.026 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.304 11.754 8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.139 9.480 9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.397 9.554 9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.210 10.878 10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -4.295 11.670 12.184 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.080 10.086 6.563 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.377 9.386 6.549 1.00 0.00 C ATOM 1779 C ALA A 119 -7.506 8.438 5.341 1.00 0.00 C ATOM 1780 O ALA A 119 -8.040 7.339 5.468 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.526 10.413 6.563 1.00 0.00 C ATOM 0 H ALA A 119 -6.155 11.087 6.381 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.436 8.769 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.482 9.890 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.457 11.024 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.453 11.053 5.683 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.006 8.881 4.176 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.149 8.136 2.917 1.00 0.00 C ATOM 1789 C GLY A 120 -6.194 6.960 2.806 1.00 0.00 C ATOM 1790 O GLY A 120 -6.612 5.826 2.543 1.00 0.00 O ATOM 0 H GLY A 120 -6.495 9.759 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.173 7.773 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.980 8.814 2.080 1.00 0.00 H new ATOM 1794 N TRP A 121 -4.910 7.243 3.015 1.00 0.00 N ATOM 1795 CA TRP A 121 -3.838 6.237 2.975 1.00 0.00 C ATOM 1796 C TRP A 121 -4.018 5.180 4.092 1.00 0.00 C ATOM 1797 O TRP A 121 -3.807 3.989 3.855 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.453 6.923 3.082 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.059 7.782 1.886 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.607 8.977 1.510 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.005 7.525 0.935 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.979 9.463 0.397 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -0.996 8.594 0.021 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.080 6.493 0.765 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.097 8.665 -1.040 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.813 6.561 -0.287 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.798 7.641 -1.180 1.00 0.00 C ATOM 0 H TRP A 121 -4.576 8.185 3.219 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.895 5.717 2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.443 7.547 3.976 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.694 6.153 3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.422 9.468 2.021 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.209 10.336 -0.077 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.063 5.654 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.106 9.498 -1.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 1.534 5.769 -0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 121 1.507 7.665 -1.994 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.430 5.620 5.310 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.755 4.685 6.428 1.00 0.00 C ATOM 1820 C GLN A 122 -6.135 4.055 6.210 1.00 0.00 C ATOM 1821 O GLN A 122 -6.447 3.006 6.773 1.00 0.00 O ATOM 1822 CB GLN A 122 -4.680 5.397 7.812 1.00 0.00 C ATOM 1823 CG GLN A 122 -4.926 4.504 9.050 1.00 0.00 C ATOM 1824 CD GLN A 122 -3.894 3.386 9.197 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -4.067 2.285 8.672 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -2.823 3.651 9.927 1.00 0.00 N ATOM 0 H GLN A 122 -4.545 6.606 5.545 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.007 3.893 6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -3.696 5.855 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.410 6.206 7.822 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.912 5.124 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.921 4.065 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.709 4.573 10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.112 2.934 10.068 1.00 0.00 H new ATOM 1835 N GLY A 123 -6.964 4.714 5.392 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.193 4.107 4.899 1.00 0.00 C ATOM 1837 C GLY A 123 -7.892 2.827 4.128 1.00 0.00 C ATOM 1838 O GLY A 123 -8.564 1.818 4.310 1.00 0.00 O ATOM 0 H GLY A 123 -6.801 5.665 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.856 3.886 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.718 4.811 4.254 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.828 2.887 3.311 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.364 1.769 2.471 1.00 0.00 C ATOM 1844 C ILE A 124 -5.504 0.766 3.288 1.00 0.00 C ATOM 1845 O ILE A 124 -5.589 -0.445 3.063 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.561 2.340 1.237 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.485 3.277 0.382 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.951 1.222 0.362 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.813 3.927 -0.815 1.00 0.00 C ATOM 0 H ILE A 124 -6.257 3.726 3.213 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.231 1.218 2.106 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.726 2.920 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.338 2.697 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.878 4.061 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.410 1.668 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.265 0.624 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.748 0.585 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.533 4.554 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.978 4.540 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.445 3.154 -1.490 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.706 1.276 4.256 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.779 0.437 5.064 1.00 0.00 C ATOM 1863 C LEU A 125 -4.555 -0.403 6.102 1.00 0.00 C ATOM 1864 O LEU A 125 -4.238 -1.570 6.333 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.702 1.310 5.778 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.584 0.522 6.544 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.724 -0.330 5.583 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.702 1.470 7.396 1.00 0.00 C ATOM 0 H LEU A 125 -4.683 2.266 4.499 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.271 -0.240 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.226 1.947 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.206 1.969 6.485 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.086 -0.164 7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.039 -0.861 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.359 -1.050 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.245 0.320 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.062 0.889 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.223 2.203 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.324 1.985 8.128 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.550 0.225 6.749 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.456 -0.451 7.706 1.00 0.00 C ATOM 1882 C ASP A 126 -7.537 -1.270 6.968 1.00 0.00 C ATOM 1883 O ASP A 126 -8.069 -2.227 7.530 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.081 0.581 8.678 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.082 -0.011 9.686 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -7.658 -0.596 10.708 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.306 0.104 9.459 1.00 0.00 O ATOM 0 H ASP A 126 -5.753 1.217 6.627 1.00 0.00 H new ATOM 0 HA ASP A 126 -5.871 -1.155 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.279 1.073 9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.586 1.351 8.094 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.865 -0.898 5.708 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.670 -1.773 4.807 1.00 0.00 C ATOM 1894 C ASN A 127 -7.875 -3.051 4.487 1.00 0.00 C ATOM 1895 O ASN A 127 -8.439 -4.144 4.422 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.064 -1.013 3.505 1.00 0.00 C ATOM 1897 CG ASN A 127 -9.530 -1.901 2.340 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -8.726 -2.292 1.508 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.818 -2.224 2.273 1.00 0.00 N ATOM 0 H ASN A 127 -7.590 -0.009 5.291 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.594 -2.053 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.860 -0.307 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.207 -0.427 3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.157 -2.813 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -11.467 -1.883 2.982 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.562 -2.884 4.303 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.633 -3.995 4.062 1.00 0.00 C ATOM 1908 C PHE A 128 -5.511 -4.882 5.315 1.00 0.00 C ATOM 1909 O PHE A 128 -5.542 -6.108 5.214 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.243 -3.449 3.647 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.191 -4.535 3.449 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.368 -5.501 2.470 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.057 -4.612 4.255 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.450 -6.497 2.289 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.132 -5.624 4.074 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.333 -6.564 3.091 1.00 0.00 C ATOM 0 H PHE A 128 -6.110 -1.970 4.317 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.026 -4.605 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.347 -2.883 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.894 -2.752 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -4.245 -5.466 1.841 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.899 -3.875 5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.601 -7.234 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.255 -5.676 4.702 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.613 -7.356 2.948 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.350 -4.238 6.482 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.265 -4.917 7.787 1.00 0.00 C ATOM 1928 C LYS A 129 -6.532 -5.763 8.024 1.00 0.00 C ATOM 1929 O LYS A 129 -6.448 -6.959 8.306 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.086 -3.854 8.909 1.00 0.00 C ATOM 1931 CG LYS A 129 -4.996 -4.417 10.345 1.00 0.00 C ATOM 1932 CD LYS A 129 -4.982 -3.302 11.421 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.064 -3.852 12.852 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.273 -4.690 13.067 1.00 0.00 N ATOM 0 H LYS A 129 -5.274 -3.223 6.548 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.405 -5.587 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.181 -3.282 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.922 -3.156 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.842 -5.080 10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.093 -5.020 10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.071 -2.713 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.820 -2.627 11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.173 -4.443 13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.070 -3.022 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.276 -5.052 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.126 -4.116 12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.265 -5.489 12.401 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.690 -5.116 7.820 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.025 -5.742 7.962 1.00 0.00 C ATOM 1950 C ARG A 130 -9.160 -6.952 7.031 1.00 0.00 C ATOM 1951 O ARG A 130 -9.646 -8.009 7.436 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.144 -4.714 7.646 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.583 -5.266 7.747 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.637 -4.225 7.333 1.00 0.00 C ATOM 1955 NE ARG A 130 -12.569 -3.003 8.150 1.00 0.00 N ATOM 1956 CZ ARG A 130 -13.352 -1.923 7.992 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -14.294 -1.889 7.049 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -13.174 -0.867 8.775 1.00 0.00 N ATOM 0 H ARG A 130 -7.732 -4.134 7.549 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.130 -6.078 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.045 -3.870 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -9.989 -4.328 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.677 -6.147 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.776 -5.588 8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.495 -3.966 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.631 -4.663 7.422 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.873 -2.974 8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.429 -2.691 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.880 -1.061 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.447 -0.879 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.764 -0.043 8.662 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.713 -6.753 5.791 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.744 -7.766 4.740 1.00 0.00 C ATOM 1974 C TYR A 131 -8.010 -9.056 5.174 1.00 0.00 C ATOM 1975 O TYR A 131 -8.592 -10.133 5.158 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.118 -7.178 3.438 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.880 -8.225 2.338 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.913 -8.628 1.496 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.642 -8.862 2.199 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.716 -9.611 0.557 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.453 -9.854 1.272 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.492 -10.225 0.453 1.00 0.00 C ATOM 1983 OH TYR A 131 -7.309 -11.218 -0.471 1.00 0.00 O ATOM 0 H TYR A 131 -8.312 -5.866 5.485 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.782 -8.040 4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.774 -6.399 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.169 -6.702 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.883 -8.161 1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.820 -8.567 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.523 -9.901 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.493 -10.341 1.186 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.639 -11.853 -0.141 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.731 -8.908 5.554 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.830 -10.043 5.848 1.00 0.00 C ATOM 1995 C VAL A 132 -6.338 -10.869 7.044 1.00 0.00 C ATOM 1996 O VAL A 132 -6.312 -12.104 7.011 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.355 -9.536 6.111 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.414 -10.680 6.543 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.786 -8.808 4.871 1.00 0.00 C ATOM 0 H VAL A 132 -6.288 -7.996 5.667 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.822 -10.692 4.972 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.409 -8.827 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.413 -10.283 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.786 -11.130 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.377 -11.436 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.771 -8.471 5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.773 -9.491 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.413 -7.948 4.635 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.830 -10.172 8.071 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.283 -10.798 9.326 1.00 0.00 C ATOM 2011 C GLU A 133 -8.694 -11.420 9.175 1.00 0.00 C ATOM 2012 O GLU A 133 -9.043 -12.348 9.905 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.273 -9.740 10.448 1.00 0.00 C ATOM 2014 CG GLU A 133 -5.923 -9.005 10.638 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.038 -7.775 11.559 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -6.985 -6.973 11.376 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.183 -7.580 12.448 1.00 0.00 O ATOM 0 H GLU A 133 -6.928 -9.157 8.061 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.600 -11.609 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.046 -9.001 10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.542 -10.224 11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.192 -9.698 11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.545 -8.691 9.665 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.502 -10.905 8.234 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.854 -11.453 7.965 1.00 0.00 C ATOM 2026 C ALA A 134 -10.757 -12.703 7.073 1.00 0.00 C ATOM 2027 O ALA A 134 -11.451 -13.705 7.295 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.735 -10.394 7.298 1.00 0.00 C ATOM 0 H ALA A 134 -9.249 -10.112 7.645 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.308 -11.736 8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.724 -10.811 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.827 -9.530 7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.283 -10.086 6.355 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.897 -12.597 6.051 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.597 -13.681 5.100 1.00 0.00 C ATOM 2036 C ALA A 135 -8.809 -14.799 5.787 1.00 0.00 C ATOM 2037 O ALA A 135 -8.951 -15.982 5.454 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.801 -13.127 3.906 1.00 0.00 C ATOM 0 H ALA A 135 -9.379 -11.740 5.857 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.538 -14.096 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.583 -13.935 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.388 -12.360 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.866 -12.693 4.262 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.975 -14.391 6.750 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.088 -15.294 7.467 1.00 0.00 C ATOM 2046 C GLY A 136 -5.733 -15.403 6.797 1.00 0.00 C ATOM 2047 O GLY A 136 -4.711 -15.164 7.426 1.00 0.00 O ATOM 0 H GLY A 136 -7.901 -13.419 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.960 -14.941 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.545 -16.282 7.525 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.761 -15.773 5.501 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.562 -16.052 4.672 1.00 0.00 C ATOM 2053 C LEU A 137 -3.740 -17.218 5.258 1.00 0.00 C ATOM 2054 O LEU A 137 -2.542 -17.353 5.014 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.717 -14.768 4.431 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.467 -13.569 3.751 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.472 -12.465 3.340 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -5.328 -14.033 2.545 1.00 0.00 C ATOM 0 H LEU A 137 -6.634 -15.890 4.987 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.899 -16.375 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.326 -14.429 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.859 -15.032 3.812 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.153 -13.150 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -4.013 -11.644 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.951 -12.098 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.748 -12.872 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.830 -13.172 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.686 -14.501 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -6.073 -14.752 2.885 1.00 0.00 H new