USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 845 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 71 LYS NZ :NH3+ 140:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 85 TYR OH : rot 130:sc= 1.13 USER MOD Set 2.1: A 37 SER OG : rot -165:sc= 0.585 USER MOD Set 2.2: A 45 THR OG1 : rot 62:sc= 1.78 USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.0717 USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0.103! (180deg=-0.423!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0.821 (180deg=0.703) USER MOD Single : A 19 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.52) USER MOD Single : A 25 SER OG : rot -83:sc= 0.969 USER MOD Single : A 35 HIS : no HE2:sc= -1.97 K(o=-1.8,f=-6.6!) USER MOD Single : A 41 GLN : amide:sc= 0.243 K(o=0.24,f=-0.78) USER MOD Single : A 43 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.055) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc=-0.00774 (180deg=-0.177) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 83 HIS : no HE2:sc= -2.19 X(o=-2.2,f=-2.2!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 169:sc= -1.74! USER MOD Single : A 108 GLN : amide:sc= -0.722 K(o=-0.72,f=-4.6!) USER MOD Single : A 112 HIS : no HD1:sc=-0.00472 X(o=-0.0047,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 8.463 -4.273 11.977 1.00 0.00 N ATOM 21 CA THR A 2 8.733 -3.456 10.783 1.00 0.00 C ATOM 22 C THR A 2 7.436 -2.906 10.171 1.00 0.00 C ATOM 23 O THR A 2 6.352 -3.447 10.394 1.00 0.00 O ATOM 24 CB THR A 2 9.484 -4.264 9.696 1.00 0.00 C ATOM 25 OG1 THR A 2 8.732 -5.438 9.341 1.00 0.00 O ATOM 26 CG2 THR A 2 10.873 -4.672 10.174 1.00 0.00 C ATOM 0 HA THR A 2 9.359 -2.628 11.116 1.00 0.00 H new ATOM 0 HB THR A 2 9.594 -3.624 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.267 -5.781 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.376 -5.238 9.390 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.454 -3.780 10.407 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.783 -5.291 11.067 1.00 0.00 H new ATOM 34 N LEU A 3 7.552 -1.829 9.398 1.00 0.00 N ATOM 35 CA LEU A 3 6.385 -1.203 8.762 1.00 0.00 C ATOM 36 C LEU A 3 6.246 -1.624 7.288 1.00 0.00 C ATOM 37 O LEU A 3 7.240 -1.803 6.581 1.00 0.00 O ATOM 38 CB LEU A 3 6.486 0.327 8.862 1.00 0.00 C ATOM 39 CG LEU A 3 6.619 0.888 10.290 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.697 2.414 10.273 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.459 0.417 11.165 1.00 0.00 C ATOM 0 H LEU A 3 8.439 -1.369 9.194 1.00 0.00 H new ATOM 0 HA LEU A 3 5.496 -1.545 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.346 0.656 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.601 0.764 8.399 1.00 0.00 H new ATOM 0 HG LEU A 3 7.547 0.507 10.717 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.790 2.785 11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.564 2.728 9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.792 2.820 9.821 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.572 0.825 12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.517 0.762 10.738 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.458 -0.672 11.213 1.00 0.00 H new ATOM 53 N ILE A 4 5.002 -1.779 6.840 1.00 0.00 N ATOM 54 CA ILE A 4 4.702 -2.155 5.450 1.00 0.00 C ATOM 55 C ILE A 4 4.138 -0.951 4.679 1.00 0.00 C ATOM 56 O ILE A 4 3.425 -0.126 5.252 1.00 0.00 O ATOM 57 CB ILE A 4 3.658 -3.295 5.393 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.893 -4.312 6.522 1.00 0.00 C ATOM 59 CG2 ILE A 4 3.698 -3.984 4.027 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.756 -5.298 6.698 1.00 0.00 C ATOM 0 H ILE A 4 4.174 -1.650 7.422 1.00 0.00 H new ATOM 0 HA ILE A 4 5.635 -2.491 4.997 1.00 0.00 H new ATOM 0 HB ILE A 4 2.668 -2.861 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.812 -4.862 6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.044 -3.774 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.958 -4.784 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.474 -3.257 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.691 -4.402 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.992 -5.984 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.839 -4.758 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.618 -5.863 5.776 1.00 0.00 H new ATOM 72 N TYR A 5 4.448 -0.852 3.383 1.00 0.00 N ATOM 73 CA TYR A 5 4.028 0.304 2.573 1.00 0.00 C ATOM 74 C TYR A 5 3.458 -0.114 1.202 1.00 0.00 C ATOM 75 O TYR A 5 3.984 -1.010 0.540 1.00 0.00 O ATOM 76 CB TYR A 5 5.217 1.256 2.361 1.00 0.00 C ATOM 77 CG TYR A 5 5.804 1.815 3.648 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.584 1.021 4.484 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.581 3.135 4.024 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.120 1.525 5.653 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.116 3.644 5.191 1.00 0.00 C ATOM 82 CZ TYR A 5 6.887 2.836 6.001 1.00 0.00 C ATOM 83 OH TYR A 5 7.420 3.342 7.167 1.00 0.00 O ATOM 0 H TYR A 5 4.985 -1.552 2.871 1.00 0.00 H new ATOM 0 HA TYR A 5 3.233 0.808 3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.000 0.727 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.896 2.085 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.773 -0.007 4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.980 3.773 3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.719 0.893 6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.931 4.671 5.469 1.00 0.00 H new ATOM 0 HH TYR A 5 8.260 2.880 7.370 1.00 0.00 H new ATOM 93 N LYS A 6 2.378 0.545 0.785 1.00 0.00 N ATOM 94 CA LYS A 6 1.812 0.343 -0.556 1.00 0.00 C ATOM 95 C LYS A 6 1.101 1.610 -1.061 1.00 0.00 C ATOM 96 O LYS A 6 0.184 2.121 -0.418 1.00 0.00 O ATOM 97 CB LYS A 6 0.853 -0.858 -0.562 1.00 0.00 C ATOM 98 CG LYS A 6 0.124 -1.071 -1.892 1.00 0.00 C ATOM 99 CD LYS A 6 -0.436 -2.489 -2.016 1.00 0.00 C ATOM 100 CE LYS A 6 -1.337 -2.655 -3.240 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.568 -4.088 -3.574 1.00 0.00 N ATOM 0 H LYS A 6 1.874 1.225 1.354 1.00 0.00 H new ATOM 0 HA LYS A 6 2.636 0.132 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.416 -1.760 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.114 -0.723 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.689 -0.351 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.810 -0.878 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.389 -3.199 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.001 -2.734 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.294 -2.167 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.884 -2.152 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.083 -4.156 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.654 -4.576 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.129 -4.534 -2.820 1.00 0.00 H new ATOM 115 N ILE A 7 1.539 2.114 -2.217 1.00 0.00 N ATOM 116 CA ILE A 7 0.978 3.342 -2.799 1.00 0.00 C ATOM 117 C ILE A 7 -0.137 3.018 -3.809 1.00 0.00 C ATOM 118 O ILE A 7 0.001 2.113 -4.634 1.00 0.00 O ATOM 119 CB ILE A 7 2.067 4.200 -3.514 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.201 4.601 -2.547 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.443 5.449 -4.141 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.147 3.472 -2.187 1.00 0.00 C ATOM 0 H ILE A 7 2.283 1.691 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 7 0.567 3.915 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 7 2.501 3.586 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.776 5.411 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.759 4.994 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.219 6.034 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.691 5.152 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.974 6.051 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.912 3.842 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.589 2.669 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.621 3.092 -3.092 1.00 0.00 H new ATOM 134 N LEU A 8 -1.241 3.760 -3.734 1.00 0.00 N ATOM 135 CA LEU A 8 -2.370 3.578 -4.657 1.00 0.00 C ATOM 136 C LEU A 8 -3.123 4.898 -4.876 1.00 0.00 C ATOM 137 O LEU A 8 -2.919 5.869 -4.150 1.00 0.00 O ATOM 138 CB LEU A 8 -3.346 2.507 -4.129 1.00 0.00 C ATOM 139 CG LEU A 8 -4.111 2.864 -2.836 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.217 1.849 -2.566 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.167 2.942 -1.639 1.00 0.00 C ATOM 0 H LEU A 8 -1.382 4.496 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.961 3.245 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.075 2.292 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.786 1.589 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.562 3.846 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.743 2.119 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.919 1.845 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.781 0.856 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.735 3.195 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.678 1.978 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.413 3.709 -1.819 1.00 0.00 H new ATOM 153 N SER A 9 -3.998 4.927 -5.879 1.00 0.00 N ATOM 154 CA SER A 9 -4.826 6.114 -6.148 1.00 0.00 C ATOM 155 C SER A 9 -5.899 6.299 -5.072 1.00 0.00 C ATOM 156 O SER A 9 -6.388 5.324 -4.495 1.00 0.00 O ATOM 157 CB SER A 9 -5.510 6.002 -7.517 1.00 0.00 C ATOM 158 OG SER A 9 -6.468 7.036 -7.695 1.00 0.00 O ATOM 0 H SER A 9 -4.156 4.149 -6.520 1.00 0.00 H new ATOM 0 HA SER A 9 -4.161 6.978 -6.141 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.761 6.056 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.997 5.031 -7.605 1.00 0.00 H new ATOM 0 HG SER A 9 -6.889 6.944 -8.575 1.00 0.00 H new ATOM 164 N ARG A 10 -6.274 7.550 -4.808 1.00 0.00 N ATOM 165 CA ARG A 10 -7.331 7.842 -3.836 1.00 0.00 C ATOM 166 C ARG A 10 -8.633 7.104 -4.201 1.00 0.00 C ATOM 167 O ARG A 10 -9.331 6.587 -3.330 1.00 0.00 O ATOM 168 CB ARG A 10 -7.587 9.356 -3.754 1.00 0.00 C ATOM 169 CG ARG A 10 -8.436 9.770 -2.553 1.00 0.00 C ATOM 170 CD ARG A 10 -7.700 9.539 -1.235 1.00 0.00 C ATOM 171 NE ARG A 10 -8.583 9.654 -0.077 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.178 9.919 1.136 1.00 0.00 C ATOM 173 NH1 ARG A 10 -6.941 10.222 1.374 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.026 9.914 2.112 1.00 0.00 N ATOM 0 H ARG A 10 -5.866 8.374 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.997 7.489 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.630 9.876 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.083 9.682 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.702 10.823 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.368 9.204 -2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.245 8.549 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.889 10.261 -1.143 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.583 9.518 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.268 10.256 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.640 10.426 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.008 9.703 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.713 10.121 3.061 1.00 0.00 H new ATOM 188 N ALA A 11 -8.936 7.038 -5.500 1.00 0.00 N ATOM 189 CA ALA A 11 -10.135 6.341 -5.989 1.00 0.00 C ATOM 190 C ALA A 11 -10.104 4.842 -5.640 1.00 0.00 C ATOM 191 O ALA A 11 -11.139 4.233 -5.361 1.00 0.00 O ATOM 192 CB ALA A 11 -10.275 6.534 -7.496 1.00 0.00 C ATOM 0 H ALA A 11 -8.368 7.459 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.001 6.776 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.166 6.014 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.363 7.597 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.396 6.129 -7.998 1.00 0.00 H new ATOM 198 N GLU A 12 -8.911 4.251 -5.665 1.00 0.00 N ATOM 199 CA GLU A 12 -8.728 2.842 -5.286 1.00 0.00 C ATOM 200 C GLU A 12 -8.936 2.642 -3.777 1.00 0.00 C ATOM 201 O GLU A 12 -9.540 1.659 -3.341 1.00 0.00 O ATOM 202 CB GLU A 12 -7.319 2.368 -5.680 1.00 0.00 C ATOM 203 CG GLU A 12 -7.083 2.286 -7.185 1.00 0.00 C ATOM 204 CD GLU A 12 -7.865 1.158 -7.843 1.00 0.00 C ATOM 205 OE1 GLU A 12 -9.018 1.388 -8.268 1.00 0.00 O ATOM 206 OE2 GLU A 12 -7.330 0.032 -7.933 1.00 0.00 O ATOM 0 H GLU A 12 -8.051 4.724 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.474 2.251 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.585 3.047 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.143 1.385 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.364 3.233 -7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.019 2.143 -7.374 1.00 0.00 H new ATOM 213 N TRP A 13 -8.432 3.588 -2.989 1.00 0.00 N ATOM 214 CA TRP A 13 -8.503 3.506 -1.529 1.00 0.00 C ATOM 215 C TRP A 13 -9.927 3.770 -1.008 1.00 0.00 C ATOM 216 O TRP A 13 -10.434 3.038 -0.154 1.00 0.00 O ATOM 217 CB TRP A 13 -7.503 4.489 -0.911 1.00 0.00 C ATOM 218 CG TRP A 13 -7.474 4.460 0.588 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.539 5.534 1.424 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.380 3.299 1.428 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.486 5.117 2.728 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.393 3.751 2.758 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.288 1.923 1.186 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.320 2.881 3.842 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.216 1.061 2.263 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.234 1.543 3.577 1.00 0.00 C ATOM 0 H TRP A 13 -7.967 4.426 -3.338 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.241 2.491 -1.231 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.506 4.264 -1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.749 5.498 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.620 6.563 1.106 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.512 5.726 3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.274 1.542 0.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.331 3.250 4.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.145 -0.002 2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.179 0.843 4.398 1.00 0.00 H new ATOM 237 N ASP A 14 -10.573 4.814 -1.519 1.00 0.00 N ATOM 238 CA ASP A 14 -11.963 5.108 -1.156 1.00 0.00 C ATOM 239 C ASP A 14 -12.891 3.938 -1.535 1.00 0.00 C ATOM 240 O ASP A 14 -13.789 3.571 -0.773 1.00 0.00 O ATOM 241 CB ASP A 14 -12.432 6.401 -1.835 1.00 0.00 C ATOM 242 CG ASP A 14 -11.629 7.621 -1.408 1.00 0.00 C ATOM 243 OD1 ASP A 14 -10.986 7.583 -0.338 1.00 0.00 O ATOM 244 OD2 ASP A 14 -11.661 8.638 -2.131 1.00 0.00 O ATOM 0 H ASP A 14 -10.162 5.470 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.009 5.243 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.358 6.285 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.484 6.566 -1.603 1.00 0.00 H new ATOM 249 N ALA A 15 -12.659 3.354 -2.716 1.00 0.00 N ATOM 250 CA ALA A 15 -13.390 2.154 -3.149 1.00 0.00 C ATOM 251 C ALA A 15 -13.166 0.994 -2.168 1.00 0.00 C ATOM 252 O ALA A 15 -14.081 0.221 -1.874 1.00 0.00 O ATOM 253 CB ALA A 15 -12.958 1.754 -4.556 1.00 0.00 C ATOM 0 H ALA A 15 -11.972 3.691 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.455 2.386 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.506 0.864 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.170 2.570 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.889 1.542 -4.562 1.00 0.00 H new ATOM 259 N ALA A 16 -11.938 0.883 -1.663 1.00 0.00 N ATOM 260 CA ALA A 16 -11.609 -0.107 -0.637 1.00 0.00 C ATOM 261 C ALA A 16 -12.468 0.091 0.619 1.00 0.00 C ATOM 262 O ALA A 16 -13.037 -0.863 1.151 1.00 0.00 O ATOM 263 CB ALA A 16 -10.128 -0.035 -0.285 1.00 0.00 C ATOM 0 H ALA A 16 -11.152 1.468 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.826 -1.096 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.899 -0.778 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.532 -0.236 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.892 0.960 0.093 1.00 0.00 H new ATOM 269 N LYS A 17 -12.560 1.337 1.084 1.00 0.00 N ATOM 270 CA LYS A 17 -13.391 1.673 2.247 1.00 0.00 C ATOM 271 C LYS A 17 -14.868 1.324 1.998 1.00 0.00 C ATOM 272 O LYS A 17 -15.570 0.868 2.902 1.00 0.00 O ATOM 273 CB LYS A 17 -13.260 3.163 2.591 1.00 0.00 C ATOM 274 CG LYS A 17 -11.833 3.598 2.922 1.00 0.00 C ATOM 275 CD LYS A 17 -11.760 5.065 3.341 1.00 0.00 C ATOM 276 CE LYS A 17 -10.336 5.473 3.692 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.240 6.889 4.133 1.00 0.00 N ATOM 0 H LYS A 17 -12.070 2.133 0.675 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.035 1.079 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.624 3.753 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.904 3.388 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.441 2.973 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.195 3.438 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.132 5.695 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.410 5.232 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.960 4.824 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.694 5.322 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.245 7.191 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.796 7.491 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.611 6.977 5.100 1.00 0.00 H new ATOM 291 N ALA A 18 -15.332 1.543 0.768 1.00 0.00 N ATOM 292 CA ALA A 18 -16.710 1.213 0.382 1.00 0.00 C ATOM 293 C ALA A 18 -17.016 -0.282 0.578 1.00 0.00 C ATOM 294 O ALA A 18 -18.081 -0.648 1.070 1.00 0.00 O ATOM 295 CB ALA A 18 -16.959 1.624 -1.065 1.00 0.00 C ATOM 0 H ALA A 18 -14.774 1.949 0.017 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.382 1.770 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.983 1.376 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.805 2.698 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.267 1.093 -1.718 1.00 0.00 H new ATOM 301 N GLN A 19 -16.074 -1.142 0.189 1.00 0.00 N ATOM 302 CA GLN A 19 -16.236 -2.597 0.354 1.00 0.00 C ATOM 303 C GLN A 19 -15.584 -3.102 1.657 1.00 0.00 C ATOM 304 O GLN A 19 -15.668 -4.287 1.987 1.00 0.00 O ATOM 305 CB GLN A 19 -15.646 -3.340 -0.860 1.00 0.00 C ATOM 306 CG GLN A 19 -14.169 -3.052 -1.106 1.00 0.00 C ATOM 307 CD GLN A 19 -13.602 -3.798 -2.308 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.052 -4.887 -2.654 1.00 0.00 O ATOM 309 NE2 GLN A 19 -12.598 -3.226 -2.940 1.00 0.00 N ATOM 0 H GLN A 19 -15.192 -0.863 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.304 -2.805 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.777 -4.412 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.212 -3.067 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.035 -1.981 -1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.600 -3.324 -0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.248 -2.321 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.171 -3.688 -3.742 1.00 0.00 H new ATOM 318 N GLY A 20 -14.934 -2.200 2.393 1.00 0.00 N ATOM 319 CA GLY A 20 -14.261 -2.571 3.640 1.00 0.00 C ATOM 320 C GLY A 20 -13.004 -3.417 3.421 1.00 0.00 C ATOM 321 O GLY A 20 -12.390 -3.897 4.377 1.00 0.00 O ATOM 0 H GLY A 20 -14.859 -1.212 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.991 -1.665 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.958 -3.124 4.270 1.00 0.00 H new ATOM 325 N ARG A 21 -12.608 -3.582 2.161 1.00 0.00 N ATOM 326 CA ARG A 21 -11.479 -4.453 1.799 1.00 0.00 C ATOM 327 C ARG A 21 -10.673 -3.869 0.629 1.00 0.00 C ATOM 328 O ARG A 21 -11.184 -3.072 -0.153 1.00 0.00 O ATOM 329 CB ARG A 21 -11.983 -5.845 1.383 1.00 0.00 C ATOM 330 CG ARG A 21 -12.763 -6.596 2.457 1.00 0.00 C ATOM 331 CD ARG A 21 -13.297 -7.918 1.922 1.00 0.00 C ATOM 332 NE ARG A 21 -13.960 -8.708 2.956 1.00 0.00 N ATOM 333 CZ ARG A 21 -15.084 -9.344 2.783 1.00 0.00 C ATOM 334 NH1 ARG A 21 -15.765 -9.200 1.692 1.00 0.00 N ATOM 335 NH2 ARG A 21 -15.547 -10.090 3.726 1.00 0.00 N ATOM 0 H ARG A 21 -13.052 -3.123 1.365 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.840 -4.528 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.617 -5.737 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.127 -6.451 1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.119 -6.781 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.592 -5.980 2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.999 -7.722 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.475 -8.495 1.499 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.515 -8.766 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.423 -8.583 0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.643 -9.704 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.034 -10.181 4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.426 -10.590 3.596 1.00 0.00 H new ATOM 349 N PHE A 22 -9.418 -4.283 0.512 1.00 0.00 N ATOM 350 CA PHE A 22 -8.603 -3.970 -0.664 1.00 0.00 C ATOM 351 C PHE A 22 -7.857 -5.227 -1.131 1.00 0.00 C ATOM 352 O PHE A 22 -7.994 -6.296 -0.531 1.00 0.00 O ATOM 353 CB PHE A 22 -7.598 -2.836 -0.362 1.00 0.00 C ATOM 354 CG PHE A 22 -6.921 -2.280 -1.601 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.647 -1.513 -2.503 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.575 -2.535 -1.880 1.00 0.00 C ATOM 357 CE1 PHE A 22 -7.055 -1.010 -3.647 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.986 -2.034 -3.025 1.00 0.00 C ATOM 359 CZ PHE A 22 -5.725 -1.271 -3.908 1.00 0.00 C ATOM 0 H PHE A 22 -8.937 -4.839 1.219 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.267 -3.628 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.118 -2.028 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.836 -3.210 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.689 -1.306 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.990 -3.129 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.633 -0.413 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.946 -2.239 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.263 -0.879 -4.802 1.00 0.00 H new ATOM 369 N GLU A 23 -7.095 -5.080 -2.214 1.00 0.00 N ATOM 370 CA GLU A 23 -6.176 -6.108 -2.725 1.00 0.00 C ATOM 371 C GLU A 23 -6.802 -7.024 -3.776 1.00 0.00 C ATOM 372 O GLU A 23 -8.021 -7.208 -3.838 1.00 0.00 O ATOM 373 CB GLU A 23 -5.523 -6.930 -1.604 1.00 0.00 C ATOM 374 CG GLU A 23 -4.540 -6.131 -0.751 1.00 0.00 C ATOM 375 CD GLU A 23 -3.478 -5.434 -1.582 1.00 0.00 C ATOM 376 OE1 GLU A 23 -3.214 -5.877 -2.720 1.00 0.00 O ATOM 377 OE2 GLU A 23 -2.906 -4.434 -1.111 1.00 0.00 O ATOM 0 H GLU A 23 -7.096 -4.228 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.389 -5.546 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.304 -7.335 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.001 -7.779 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.088 -5.388 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.057 -6.799 -0.038 1.00 0.00 H new ATOM 384 N GLY A 24 -5.931 -7.606 -4.599 1.00 0.00 N ATOM 385 CA GLY A 24 -6.372 -8.337 -5.773 1.00 0.00 C ATOM 386 C GLY A 24 -6.800 -7.393 -6.893 1.00 0.00 C ATOM 387 O GLY A 24 -7.824 -7.605 -7.544 1.00 0.00 O ATOM 0 H GLY A 24 -4.919 -7.582 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.566 -8.980 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.205 -8.987 -5.506 1.00 0.00 H new ATOM 391 N SER A 25 -6.014 -6.333 -7.096 1.00 0.00 N ATOM 392 CA SER A 25 -6.295 -5.332 -8.137 1.00 0.00 C ATOM 393 C SER A 25 -5.806 -5.807 -9.508 1.00 0.00 C ATOM 394 O SER A 25 -5.304 -6.925 -9.645 1.00 0.00 O ATOM 395 CB SER A 25 -5.611 -4.001 -7.794 1.00 0.00 C ATOM 396 OG SER A 25 -4.198 -4.107 -7.903 1.00 0.00 O ATOM 0 H SER A 25 -5.173 -6.142 -6.552 1.00 0.00 H new ATOM 0 HA SER A 25 -7.375 -5.192 -8.177 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.973 -3.220 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.879 -3.702 -6.781 1.00 0.00 H new ATOM 0 HG SER A 25 -3.834 -4.490 -7.078 1.00 0.00 H new ATOM 402 N ALA A 26 -5.945 -4.950 -10.518 1.00 0.00 N ATOM 403 CA ALA A 26 -5.468 -5.260 -11.868 1.00 0.00 C ATOM 404 C ALA A 26 -3.993 -5.695 -11.864 1.00 0.00 C ATOM 405 O ALA A 26 -3.647 -6.744 -12.410 1.00 0.00 O ATOM 406 CB ALA A 26 -5.663 -4.056 -12.783 1.00 0.00 C ATOM 0 H ALA A 26 -6.384 -4.034 -10.429 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.057 -6.096 -12.245 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.305 -4.298 -13.784 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.722 -3.801 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.102 -3.207 -12.392 1.00 0.00 H new ATOM 412 N VAL A 27 -3.135 -4.895 -11.228 1.00 0.00 N ATOM 413 CA VAL A 27 -1.693 -5.178 -11.189 1.00 0.00 C ATOM 414 C VAL A 27 -1.370 -6.406 -10.317 1.00 0.00 C ATOM 415 O VAL A 27 -0.669 -7.318 -10.756 1.00 0.00 O ATOM 416 CB VAL A 27 -0.887 -3.962 -10.665 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.615 -4.226 -10.764 1.00 0.00 C ATOM 418 CG2 VAL A 27 -1.263 -2.691 -11.425 1.00 0.00 C ATOM 0 H VAL A 27 -3.410 -4.047 -10.733 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.399 -5.389 -12.217 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.140 -3.816 -9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.162 -3.360 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.871 -5.101 -10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.885 -4.405 -11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.684 -1.852 -11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.047 -2.824 -12.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.326 -2.490 -11.294 1.00 0.00 H new ATOM 428 N ASP A 28 -1.882 -6.425 -9.081 1.00 0.00 N ATOM 429 CA ASP A 28 -1.634 -7.545 -8.157 1.00 0.00 C ATOM 430 C ASP A 28 -2.034 -8.899 -8.782 1.00 0.00 C ATOM 431 O ASP A 28 -1.293 -9.882 -8.691 1.00 0.00 O ATOM 432 CB ASP A 28 -2.378 -7.322 -6.831 1.00 0.00 C ATOM 433 CG ASP A 28 -1.824 -6.137 -6.044 1.00 0.00 C ATOM 434 OD1 ASP A 28 -0.672 -6.219 -5.553 1.00 0.00 O ATOM 435 OD2 ASP A 28 -2.540 -5.120 -5.910 1.00 0.00 O ATOM 0 H ASP A 28 -2.468 -5.684 -8.696 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.563 -7.579 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.436 -7.156 -7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.308 -8.223 -6.222 1.00 0.00 H new ATOM 440 N LEU A 29 -3.199 -8.941 -9.432 1.00 0.00 N ATOM 441 CA LEU A 29 -3.659 -10.159 -10.116 1.00 0.00 C ATOM 442 C LEU A 29 -2.850 -10.431 -11.394 1.00 0.00 C ATOM 443 O LEU A 29 -2.591 -11.588 -11.735 1.00 0.00 O ATOM 444 CB LEU A 29 -5.154 -10.060 -10.455 1.00 0.00 C ATOM 445 CG LEU A 29 -6.105 -10.059 -9.244 1.00 0.00 C ATOM 446 CD1 LEU A 29 -7.557 -9.933 -9.697 1.00 0.00 C ATOM 447 CD2 LEU A 29 -5.913 -11.318 -8.399 1.00 0.00 C ATOM 0 H LEU A 29 -3.841 -8.151 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.503 -10.993 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.320 -9.147 -11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.419 -10.895 -11.103 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.862 -9.195 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.211 -9.934 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.687 -9.001 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.811 -10.774 -10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.596 -11.294 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.120 -12.199 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.886 -11.360 -8.037 1.00 0.00 H new ATOM 459 N ALA A 30 -2.450 -9.367 -12.093 1.00 0.00 N ATOM 460 CA ALA A 30 -1.648 -9.499 -13.315 1.00 0.00 C ATOM 461 C ALA A 30 -0.330 -10.236 -13.043 1.00 0.00 C ATOM 462 O ALA A 30 0.080 -11.103 -13.814 1.00 0.00 O ATOM 463 CB ALA A 30 -1.372 -8.127 -13.919 1.00 0.00 C ATOM 0 H ALA A 30 -2.667 -8.404 -11.836 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.222 -10.091 -14.028 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.776 -8.241 -14.825 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.316 -7.641 -14.165 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.826 -7.516 -13.200 1.00 0.00 H new ATOM 469 N ASP A 31 0.336 -9.877 -11.947 1.00 0.00 N ATOM 470 CA ASP A 31 1.553 -10.575 -11.521 1.00 0.00 C ATOM 471 C ASP A 31 1.230 -11.994 -11.018 1.00 0.00 C ATOM 472 O ASP A 31 1.969 -12.945 -11.283 1.00 0.00 O ATOM 473 CB ASP A 31 2.271 -9.770 -10.431 1.00 0.00 C ATOM 474 CG ASP A 31 2.843 -8.467 -10.962 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.003 -8.466 -11.421 1.00 0.00 O ATOM 476 OD2 ASP A 31 2.137 -7.437 -10.926 1.00 0.00 O ATOM 0 H ASP A 31 0.056 -9.109 -11.337 1.00 0.00 H new ATOM 0 HA ASP A 31 2.213 -10.667 -12.384 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.573 -9.555 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.075 -10.372 -10.008 1.00 0.00 H new ATOM 481 N GLY A 32 0.119 -12.130 -10.295 1.00 0.00 N ATOM 482 CA GLY A 32 -0.305 -13.439 -9.800 1.00 0.00 C ATOM 483 C GLY A 32 -0.619 -13.442 -8.307 1.00 0.00 C ATOM 484 O GLY A 32 -1.384 -14.280 -7.825 1.00 0.00 O ATOM 0 H GLY A 32 -0.498 -11.359 -10.041 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.189 -13.760 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.479 -14.168 -10.002 1.00 0.00 H new ATOM 488 N PHE A 33 -0.012 -12.509 -7.579 1.00 0.00 N ATOM 489 CA PHE A 33 -0.229 -12.365 -6.135 1.00 0.00 C ATOM 490 C PHE A 33 0.157 -10.954 -5.667 1.00 0.00 C ATOM 491 O PHE A 33 0.892 -10.239 -6.355 1.00 0.00 O ATOM 492 CB PHE A 33 0.554 -13.435 -5.346 1.00 0.00 C ATOM 493 CG PHE A 33 2.036 -13.473 -5.635 1.00 0.00 C ATOM 494 CD1 PHE A 33 2.513 -13.934 -6.856 1.00 0.00 C ATOM 495 CD2 PHE A 33 2.952 -13.060 -4.681 1.00 0.00 C ATOM 496 CE1 PHE A 33 3.868 -13.977 -7.116 1.00 0.00 C ATOM 497 CE2 PHE A 33 4.308 -13.106 -4.936 1.00 0.00 C ATOM 498 CZ PHE A 33 4.767 -13.563 -6.156 1.00 0.00 C ATOM 0 H PHE A 33 0.643 -11.831 -7.968 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.291 -12.514 -5.938 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.410 -13.259 -4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.129 -14.414 -5.568 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.815 -14.263 -7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.601 -12.698 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.224 -14.335 -8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.010 -12.784 -4.181 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.828 -13.596 -6.357 1.00 0.00 H new ATOM 508 N ILE A 34 -0.334 -10.565 -4.494 1.00 0.00 N ATOM 509 CA ILE A 34 -0.158 -9.201 -3.984 1.00 0.00 C ATOM 510 C ILE A 34 1.323 -8.843 -3.773 1.00 0.00 C ATOM 511 O ILE A 34 2.114 -9.658 -3.292 1.00 0.00 O ATOM 512 CB ILE A 34 -0.915 -9.018 -2.653 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.401 -9.367 -2.831 1.00 0.00 C ATOM 514 CG2 ILE A 34 -0.744 -7.597 -2.120 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.194 -9.324 -1.542 1.00 0.00 C ATOM 0 H ILE A 34 -0.861 -11.177 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.566 -8.530 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.490 -9.701 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.845 -8.673 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.482 -10.364 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.287 -7.493 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.314 -7.396 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.137 -6.886 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.233 -9.581 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.775 -10.039 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.145 -8.321 -1.118 1.00 0.00 H new ATOM 527 N HIS A 35 1.684 -7.610 -4.120 1.00 0.00 N ATOM 528 CA HIS A 35 3.070 -7.147 -4.010 1.00 0.00 C ATOM 529 C HIS A 35 3.157 -5.703 -3.483 1.00 0.00 C ATOM 530 O HIS A 35 2.849 -4.747 -4.198 1.00 0.00 O ATOM 531 CB HIS A 35 3.766 -7.268 -5.375 1.00 0.00 C ATOM 532 CG HIS A 35 2.922 -6.801 -6.520 1.00 0.00 C ATOM 533 ND1 HIS A 35 2.619 -5.477 -6.746 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.306 -7.496 -7.505 1.00 0.00 C ATOM 535 CE1 HIS A 35 1.858 -5.379 -7.815 1.00 0.00 C ATOM 536 NE2 HIS A 35 1.653 -6.587 -8.299 1.00 0.00 N ATOM 0 H HIS A 35 1.036 -6.910 -4.481 1.00 0.00 H new ATOM 0 HA HIS A 35 3.580 -7.781 -3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.690 -6.690 -5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.045 -8.309 -5.541 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.935 -4.694 -6.174 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.325 -8.567 -7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.466 -4.461 -8.227 1.00 0.00 H new ATOM 545 N LEU A 36 3.565 -5.559 -2.223 1.00 0.00 N ATOM 546 CA LEU A 36 3.788 -4.241 -1.616 1.00 0.00 C ATOM 547 C LEU A 36 5.283 -3.876 -1.653 1.00 0.00 C ATOM 548 O LEU A 36 6.099 -4.614 -2.210 1.00 0.00 O ATOM 549 CB LEU A 36 3.284 -4.215 -0.157 1.00 0.00 C ATOM 550 CG LEU A 36 1.798 -4.571 0.055 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.566 -6.073 -0.066 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.308 -4.062 1.407 1.00 0.00 C ATOM 0 H LEU A 36 3.750 -6.342 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 36 3.226 -3.507 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.889 -4.908 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.459 -3.219 0.249 1.00 0.00 H new ATOM 0 HG LEU A 36 1.224 -4.078 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.509 -6.292 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.865 -6.408 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.158 -6.594 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.258 -4.324 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.896 -4.519 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.420 -2.979 1.450 1.00 0.00 H new ATOM 564 N SER A 37 5.636 -2.744 -1.048 1.00 0.00 N ATOM 565 CA SER A 37 7.035 -2.290 -0.991 1.00 0.00 C ATOM 566 C SER A 37 7.426 -1.873 0.433 1.00 0.00 C ATOM 567 O SER A 37 6.574 -1.521 1.248 1.00 0.00 O ATOM 568 CB SER A 37 7.265 -1.109 -1.950 1.00 0.00 C ATOM 569 OG SER A 37 7.086 -1.488 -3.307 1.00 0.00 O ATOM 0 H SER A 37 4.975 -2.119 -0.587 1.00 0.00 H new ATOM 0 HA SER A 37 7.661 -3.128 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.575 -0.302 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.274 -0.720 -1.812 1.00 0.00 H new ATOM 0 HG SER A 37 7.461 -0.797 -3.892 1.00 0.00 H new ATOM 575 N ALA A 38 8.718 -1.931 0.737 1.00 0.00 N ATOM 576 CA ALA A 38 9.225 -1.450 2.027 1.00 0.00 C ATOM 577 C ALA A 38 9.376 0.079 2.014 1.00 0.00 C ATOM 578 O ALA A 38 9.223 0.703 0.969 1.00 0.00 O ATOM 579 CB ALA A 38 10.554 -2.118 2.349 1.00 0.00 C ATOM 0 H ALA A 38 9.434 -2.304 0.114 1.00 0.00 H new ATOM 0 HA ALA A 38 8.506 -1.712 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.921 -1.754 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.416 -3.198 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.278 -1.881 1.570 1.00 0.00 H new ATOM 585 N GLY A 39 9.696 0.673 3.164 1.00 0.00 N ATOM 586 CA GLY A 39 9.802 2.131 3.261 1.00 0.00 C ATOM 587 C GLY A 39 10.691 2.755 2.184 1.00 0.00 C ATOM 588 O GLY A 39 10.245 3.608 1.413 1.00 0.00 O ATOM 0 H GLY A 39 9.885 0.174 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.804 2.564 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.197 2.393 4.243 1.00 0.00 H new ATOM 592 N GLU A 40 11.946 2.316 2.124 1.00 0.00 N ATOM 593 CA GLU A 40 12.896 2.807 1.117 1.00 0.00 C ATOM 594 C GLU A 40 12.438 2.454 -0.311 1.00 0.00 C ATOM 595 O GLU A 40 12.499 3.283 -1.224 1.00 0.00 O ATOM 596 CB GLU A 40 14.291 2.217 1.382 1.00 0.00 C ATOM 597 CG GLU A 40 14.325 0.689 1.364 1.00 0.00 C ATOM 598 CD GLU A 40 15.728 0.124 1.511 1.00 0.00 C ATOM 599 OE1 GLU A 40 16.495 0.175 0.530 1.00 0.00 O ATOM 600 OE2 GLU A 40 16.067 -0.379 2.605 1.00 0.00 O ATOM 0 H GLU A 40 12.334 1.620 2.760 1.00 0.00 H new ATOM 0 HA GLU A 40 12.938 3.893 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.985 2.596 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.646 2.568 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.699 0.308 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.892 0.333 0.429 1.00 0.00 H new ATOM 607 N GLN A 41 11.958 1.225 -0.490 1.00 0.00 N ATOM 608 CA GLN A 41 11.534 0.737 -1.806 1.00 0.00 C ATOM 609 C GLN A 41 10.189 1.349 -2.240 1.00 0.00 C ATOM 610 O GLN A 41 9.817 1.283 -3.410 1.00 0.00 O ATOM 611 CB GLN A 41 11.452 -0.798 -1.799 1.00 0.00 C ATOM 612 CG GLN A 41 12.796 -1.483 -1.539 1.00 0.00 C ATOM 613 CD GLN A 41 12.726 -2.997 -1.663 1.00 0.00 C ATOM 614 OE1 GLN A 41 12.904 -3.548 -2.740 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.494 -3.684 -0.561 1.00 0.00 N ATOM 0 H GLN A 41 11.852 0.544 0.262 1.00 0.00 H new ATOM 0 HA GLN A 41 12.282 1.052 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.740 -1.112 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.061 -1.137 -2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.535 -1.100 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.143 -1.222 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.349 -3.196 0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.459 -4.703 -0.593 1.00 0.00 H new ATOM 624 N ALA A 42 9.467 1.949 -1.295 1.00 0.00 N ATOM 625 CA ALA A 42 8.208 2.640 -1.600 1.00 0.00 C ATOM 626 C ALA A 42 8.475 3.934 -2.376 1.00 0.00 C ATOM 627 O ALA A 42 7.868 4.188 -3.418 1.00 0.00 O ATOM 628 CB ALA A 42 7.433 2.933 -0.318 1.00 0.00 C ATOM 0 H ALA A 42 9.730 1.972 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 42 7.602 1.985 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.503 3.445 -0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.207 1.997 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.034 3.566 0.334 1.00 0.00 H new ATOM 634 N GLN A 43 9.398 4.749 -1.864 1.00 0.00 N ATOM 635 CA GLN A 43 9.841 5.958 -2.566 1.00 0.00 C ATOM 636 C GLN A 43 10.481 5.597 -3.915 1.00 0.00 C ATOM 637 O GLN A 43 10.309 6.303 -4.910 1.00 0.00 O ATOM 638 CB GLN A 43 10.828 6.746 -1.688 1.00 0.00 C ATOM 639 CG GLN A 43 11.463 7.962 -2.369 1.00 0.00 C ATOM 640 CD GLN A 43 10.452 8.962 -2.925 1.00 0.00 C ATOM 641 OE1 GLN A 43 10.726 9.660 -3.894 1.00 0.00 O ATOM 642 NE2 GLN A 43 9.277 9.034 -2.332 1.00 0.00 N ATOM 0 H GLN A 43 9.855 4.595 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 43 8.972 6.586 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.307 7.080 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.622 6.073 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.106 8.472 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.102 7.617 -3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.075 8.441 -1.527 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.570 9.682 -2.678 1.00 0.00 H new ATOM 651 N GLU A 44 11.208 4.486 -3.939 1.00 0.00 N ATOM 652 CA GLU A 44 11.772 3.955 -5.183 1.00 0.00 C ATOM 653 C GLU A 44 10.656 3.582 -6.176 1.00 0.00 C ATOM 654 O GLU A 44 10.703 3.944 -7.353 1.00 0.00 O ATOM 655 CB GLU A 44 12.647 2.733 -4.875 1.00 0.00 C ATOM 656 CG GLU A 44 13.318 2.124 -6.098 1.00 0.00 C ATOM 657 CD GLU A 44 14.236 0.967 -5.743 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.437 1.212 -5.489 1.00 0.00 O ATOM 659 OE2 GLU A 44 13.765 -0.191 -5.715 1.00 0.00 O ATOM 0 H GLU A 44 11.423 3.931 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 44 12.388 4.727 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.416 3.022 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.033 1.972 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.553 1.777 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.892 2.894 -6.614 1.00 0.00 H new ATOM 666 N THR A 45 9.641 2.868 -5.685 1.00 0.00 N ATOM 667 CA THR A 45 8.468 2.520 -6.500 1.00 0.00 C ATOM 668 C THR A 45 7.735 3.784 -6.968 1.00 0.00 C ATOM 669 O THR A 45 7.138 3.810 -8.043 1.00 0.00 O ATOM 670 CB THR A 45 7.474 1.618 -5.724 1.00 0.00 C ATOM 671 OG1 THR A 45 8.121 0.397 -5.324 1.00 0.00 O ATOM 672 CG2 THR A 45 6.244 1.284 -6.571 1.00 0.00 C ATOM 0 H THR A 45 9.605 2.518 -4.728 1.00 0.00 H new ATOM 0 HA THR A 45 8.838 1.968 -7.364 1.00 0.00 H new ATOM 0 HB THR A 45 7.148 2.169 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.861 0.603 -4.715 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.568 0.650 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.731 2.205 -6.847 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.556 0.758 -7.473 1.00 0.00 H new ATOM 680 N ALA A 46 7.787 4.836 -6.153 1.00 0.00 N ATOM 681 CA ALA A 46 7.217 6.129 -6.531 1.00 0.00 C ATOM 682 C ALA A 46 7.979 6.735 -7.719 1.00 0.00 C ATOM 683 O ALA A 46 7.401 6.975 -8.777 1.00 0.00 O ATOM 684 CB ALA A 46 7.219 7.086 -5.341 1.00 0.00 C ATOM 0 H ALA A 46 8.217 4.819 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 46 6.184 5.969 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.791 8.042 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.625 6.662 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.242 7.238 -4.998 1.00 0.00 H new ATOM 690 N ALA A 47 9.284 6.942 -7.552 1.00 0.00 N ATOM 691 CA ALA A 47 10.126 7.510 -8.614 1.00 0.00 C ATOM 692 C ALA A 47 10.020 6.711 -9.929 1.00 0.00 C ATOM 693 O ALA A 47 10.157 7.266 -11.022 1.00 0.00 O ATOM 694 CB ALA A 47 11.578 7.577 -8.146 1.00 0.00 C ATOM 0 H ALA A 47 9.786 6.726 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 47 9.764 8.517 -8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.196 7.999 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.646 8.206 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.930 6.573 -7.907 1.00 0.00 H new ATOM 700 N LYS A 48 9.776 5.406 -9.814 1.00 0.00 N ATOM 701 CA LYS A 48 9.644 4.527 -10.973 1.00 0.00 C ATOM 702 C LYS A 48 8.217 4.531 -11.559 1.00 0.00 C ATOM 703 O LYS A 48 8.036 4.700 -12.768 1.00 0.00 O ATOM 704 CB LYS A 48 10.034 3.100 -10.563 1.00 0.00 C ATOM 705 CG LYS A 48 11.521 2.924 -10.262 1.00 0.00 C ATOM 706 CD LYS A 48 11.834 1.511 -9.775 1.00 0.00 C ATOM 707 CE LYS A 48 13.330 1.293 -9.577 1.00 0.00 C ATOM 708 NZ LYS A 48 14.077 1.361 -10.859 1.00 0.00 N ATOM 0 H LYS A 48 9.665 4.931 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 48 10.309 4.899 -11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.459 2.817 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.752 2.414 -11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.102 3.137 -11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.827 3.646 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.313 1.328 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.454 0.787 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.718 2.046 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.496 0.321 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.040 0.995 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.589 0.787 -11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.125 2.349 -11.181 1.00 0.00 H new ATOM 722 N TRP A 49 7.211 4.357 -10.701 1.00 0.00 N ATOM 723 CA TRP A 49 5.830 4.124 -11.158 1.00 0.00 C ATOM 724 C TRP A 49 4.855 5.244 -10.739 1.00 0.00 C ATOM 725 O TRP A 49 3.935 5.584 -11.484 1.00 0.00 O ATOM 726 CB TRP A 49 5.328 2.776 -10.625 1.00 0.00 C ATOM 727 CG TRP A 49 6.254 1.630 -10.940 1.00 0.00 C ATOM 728 CD1 TRP A 49 7.114 1.007 -10.078 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.421 0.981 -12.208 1.00 0.00 C ATOM 730 NE1 TRP A 49 7.799 0.012 -10.731 1.00 0.00 N ATOM 731 CE2 TRP A 49 7.390 -0.026 -12.037 1.00 0.00 C ATOM 732 CE3 TRP A 49 5.840 1.152 -13.471 1.00 0.00 C ATOM 733 CZ2 TRP A 49 7.791 -0.857 -13.081 1.00 0.00 C ATOM 734 CZ3 TRP A 49 6.240 0.325 -14.504 1.00 0.00 C ATOM 735 CH2 TRP A 49 7.207 -0.668 -14.305 1.00 0.00 C ATOM 0 H TRP A 49 7.321 4.372 -9.687 1.00 0.00 H new ATOM 0 HA TRP A 49 5.856 4.118 -12.248 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.200 2.845 -9.545 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.346 2.568 -11.049 1.00 0.00 H new ATOM 0 HD1 TRP A 49 7.237 1.261 -9.035 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.499 -0.600 -10.311 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.094 1.915 -13.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.537 -1.624 -12.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.799 0.447 -15.482 1.00 0.00 H new ATOM 0 HH2 TRP A 49 7.498 -1.297 -15.133 1.00 0.00 H new ATOM 746 N PHE A 50 5.054 5.817 -9.556 1.00 0.00 N ATOM 747 CA PHE A 50 4.138 6.838 -9.020 1.00 0.00 C ATOM 748 C PHE A 50 4.841 8.197 -8.916 1.00 0.00 C ATOM 749 O PHE A 50 4.945 8.789 -7.842 1.00 0.00 O ATOM 750 CB PHE A 50 3.593 6.406 -7.650 1.00 0.00 C ATOM 751 CG PHE A 50 2.754 5.153 -7.697 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.394 5.224 -7.968 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.322 3.906 -7.466 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.620 4.079 -8.009 1.00 0.00 C ATOM 755 CE2 PHE A 50 2.552 2.760 -7.506 1.00 0.00 C ATOM 756 CZ PHE A 50 1.199 2.846 -7.778 1.00 0.00 C ATOM 0 H PHE A 50 5.840 5.597 -8.944 1.00 0.00 H new ATOM 0 HA PHE A 50 3.299 6.940 -9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.430 6.247 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.995 7.217 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.935 6.185 -8.149 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.378 3.832 -7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.437 4.148 -8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.007 1.797 -7.325 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.596 1.951 -7.810 1.00 0.00 H new ATOM 766 N ARG A 51 5.315 8.679 -10.060 1.00 0.00 N ATOM 767 CA ARG A 51 6.125 9.902 -10.129 1.00 0.00 C ATOM 768 C ARG A 51 5.300 11.180 -9.877 1.00 0.00 C ATOM 769 O ARG A 51 5.850 12.279 -9.841 1.00 0.00 O ATOM 770 CB ARG A 51 6.792 9.994 -11.507 1.00 0.00 C ATOM 771 CG ARG A 51 5.789 10.156 -12.647 1.00 0.00 C ATOM 772 CD ARG A 51 6.462 10.337 -14.002 1.00 0.00 C ATOM 773 NE ARG A 51 5.474 10.464 -15.072 1.00 0.00 N ATOM 774 CZ ARG A 51 5.678 10.113 -16.312 1.00 0.00 C ATOM 775 NH1 ARG A 51 6.837 9.690 -16.698 1.00 0.00 N ATOM 776 NH2 ARG A 51 4.718 10.215 -17.174 1.00 0.00 N ATOM 0 H ARG A 51 5.152 8.239 -10.966 1.00 0.00 H new ATOM 0 HA ARG A 51 6.873 9.838 -9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.482 10.838 -11.515 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.385 9.096 -11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.141 9.280 -12.682 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.151 11.017 -12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.095 11.224 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.113 9.486 -14.204 1.00 0.00 H new ATOM 0 HE ARG A 51 4.562 10.854 -14.833 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.605 9.627 -16.030 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.983 9.419 -17.670 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.807 10.569 -16.883 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.873 9.942 -18.144 1.00 0.00 H new ATOM 790 N GLY A 52 3.986 11.034 -9.731 1.00 0.00 N ATOM 791 CA GLY A 52 3.129 12.194 -9.512 1.00 0.00 C ATOM 792 C GLY A 52 1.657 11.839 -9.332 1.00 0.00 C ATOM 793 O GLY A 52 1.230 11.484 -8.235 1.00 0.00 O ATOM 0 H GLY A 52 3.498 10.139 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.476 12.730 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.229 12.875 -10.358 1.00 0.00 H new ATOM 797 N GLN A 53 0.883 11.934 -10.416 1.00 0.00 N ATOM 798 CA GLN A 53 -0.567 11.688 -10.379 1.00 0.00 C ATOM 799 C GLN A 53 -1.285 12.655 -9.410 1.00 0.00 C ATOM 800 O GLN A 53 -0.735 13.691 -9.033 1.00 0.00 O ATOM 801 CB GLN A 53 -0.852 10.221 -10.012 1.00 0.00 C ATOM 802 CG GLN A 53 -0.292 9.219 -11.021 1.00 0.00 C ATOM 803 CD GLN A 53 -0.616 7.772 -10.675 1.00 0.00 C ATOM 804 OE1 GLN A 53 -1.635 7.477 -10.057 1.00 0.00 O ATOM 805 NE2 GLN A 53 0.243 6.858 -11.083 1.00 0.00 N ATOM 0 H GLN A 53 1.237 12.182 -11.340 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.965 11.878 -11.376 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.427 10.012 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.930 10.078 -9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.691 9.447 -12.009 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.790 9.338 -11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.080 7.137 -11.594 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.070 5.872 -10.887 1.00 0.00 H new ATOM 814 N ALA A 54 -2.525 12.340 -9.035 1.00 0.00 N ATOM 815 CA ALA A 54 -3.299 13.198 -8.128 1.00 0.00 C ATOM 816 C ALA A 54 -3.814 12.417 -6.908 1.00 0.00 C ATOM 817 O ALA A 54 -4.565 11.451 -7.050 1.00 0.00 O ATOM 818 CB ALA A 54 -4.464 13.835 -8.881 1.00 0.00 C ATOM 0 H ALA A 54 -3.017 11.501 -9.342 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.636 13.981 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.033 14.470 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.079 14.438 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.113 13.053 -9.276 1.00 0.00 H new ATOM 824 N ASN A 55 -3.411 12.858 -5.713 1.00 0.00 N ATOM 825 CA ASN A 55 -3.813 12.224 -4.447 1.00 0.00 C ATOM 826 C ASN A 55 -3.424 10.737 -4.393 1.00 0.00 C ATOM 827 O ASN A 55 -4.236 9.852 -4.686 1.00 0.00 O ATOM 828 CB ASN A 55 -5.321 12.380 -4.206 1.00 0.00 C ATOM 829 CG ASN A 55 -5.749 13.834 -4.153 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.726 14.463 -3.101 1.00 0.00 O ATOM 831 ND2 ASN A 55 -6.151 14.375 -5.284 1.00 0.00 N ATOM 0 H ASN A 55 -2.797 13.664 -5.592 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.271 12.740 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.868 11.871 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.589 11.890 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.457 15.348 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.157 13.821 -6.141 1.00 0.00 H new ATOM 838 N LEU A 56 -2.174 10.469 -4.026 1.00 0.00 N ATOM 839 CA LEU A 56 -1.691 9.093 -3.873 1.00 0.00 C ATOM 840 C LEU A 56 -1.706 8.677 -2.395 1.00 0.00 C ATOM 841 O LEU A 56 -1.105 9.337 -1.554 1.00 0.00 O ATOM 842 CB LEU A 56 -0.267 8.959 -4.432 1.00 0.00 C ATOM 843 CG LEU A 56 -0.101 9.317 -5.917 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.345 9.097 -6.361 1.00 0.00 C ATOM 845 CD2 LEU A 56 -1.064 8.508 -6.786 1.00 0.00 C ATOM 0 H LEU A 56 -1.474 11.184 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.357 8.436 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.395 9.597 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.067 7.932 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.343 10.372 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.445 9.355 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.008 9.728 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.615 8.051 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.926 8.780 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.863 7.444 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.090 8.722 -6.488 1.00 0.00 H new ATOM 857 N VAL A 57 -2.398 7.593 -2.078 1.00 0.00 N ATOM 858 CA VAL A 57 -2.467 7.108 -0.700 1.00 0.00 C ATOM 859 C VAL A 57 -1.304 6.161 -0.381 1.00 0.00 C ATOM 860 O VAL A 57 -1.046 5.202 -1.110 1.00 0.00 O ATOM 861 CB VAL A 57 -3.806 6.387 -0.417 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.891 5.946 1.045 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.984 7.284 -0.787 1.00 0.00 C ATOM 0 H VAL A 57 -2.920 7.031 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.397 7.985 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.851 5.492 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.842 5.442 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.072 5.262 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.820 6.819 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.918 6.761 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.943 8.200 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.933 7.533 -1.847 1.00 0.00 H new ATOM 873 N LEU A 58 -0.596 6.453 0.701 1.00 0.00 N ATOM 874 CA LEU A 58 0.472 5.587 1.194 1.00 0.00 C ATOM 875 C LEU A 58 -0.036 4.726 2.355 1.00 0.00 C ATOM 876 O LEU A 58 -0.147 5.195 3.493 1.00 0.00 O ATOM 877 CB LEU A 58 1.675 6.431 1.646 1.00 0.00 C ATOM 878 CG LEU A 58 2.846 5.648 2.272 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.454 4.677 1.262 1.00 0.00 C ATOM 880 CD2 LEU A 58 3.906 6.605 2.815 1.00 0.00 C ATOM 0 H LEU A 58 -0.743 7.292 1.261 1.00 0.00 H new ATOM 0 HA LEU A 58 0.790 4.930 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.051 6.984 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.327 7.167 2.370 1.00 0.00 H new ATOM 0 HG LEU A 58 2.457 5.064 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.278 4.137 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.693 3.968 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.825 5.233 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.724 6.032 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.289 7.222 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.462 7.245 3.578 1.00 0.00 H new ATOM 892 N LEU A 59 -0.374 3.477 2.060 1.00 0.00 N ATOM 893 CA LEU A 59 -0.820 2.543 3.090 1.00 0.00 C ATOM 894 C LEU A 59 0.364 2.047 3.921 1.00 0.00 C ATOM 895 O LEU A 59 1.186 1.266 3.442 1.00 0.00 O ATOM 896 CB LEU A 59 -1.559 1.354 2.461 1.00 0.00 C ATOM 897 CG LEU A 59 -2.842 1.718 1.698 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.507 0.470 1.118 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.806 2.479 2.605 1.00 0.00 C ATOM 0 H LEU A 59 -0.348 3.086 1.118 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.509 3.072 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.880 0.844 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.811 0.644 3.249 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.571 2.368 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.413 0.756 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.819 -0.022 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.764 -0.215 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.709 2.729 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.068 1.857 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.330 3.395 2.954 1.00 0.00 H new ATOM 911 N ALA A 60 0.450 2.517 5.160 1.00 0.00 N ATOM 912 CA ALA A 60 1.526 2.121 6.069 1.00 0.00 C ATOM 913 C ALA A 60 0.958 1.389 7.291 1.00 0.00 C ATOM 914 O ALA A 60 0.233 1.976 8.099 1.00 0.00 O ATOM 915 CB ALA A 60 2.339 3.340 6.493 1.00 0.00 C ATOM 0 H ALA A 60 -0.216 3.177 5.563 1.00 0.00 H new ATOM 0 HA ALA A 60 2.190 1.434 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.135 3.029 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.774 3.811 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.689 4.052 7.002 1.00 0.00 H new ATOM 921 N VAL A 61 1.283 0.103 7.414 1.00 0.00 N ATOM 922 CA VAL A 61 0.749 -0.738 8.495 1.00 0.00 C ATOM 923 C VAL A 61 1.875 -1.445 9.267 1.00 0.00 C ATOM 924 O VAL A 61 2.875 -1.862 8.681 1.00 0.00 O ATOM 925 CB VAL A 61 -0.227 -1.810 7.935 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.861 -2.621 9.064 1.00 0.00 C ATOM 927 CG2 VAL A 61 -1.303 -1.164 7.062 1.00 0.00 C ATOM 0 H VAL A 61 1.915 -0.384 6.779 1.00 0.00 H new ATOM 0 HA VAL A 61 0.213 -0.076 9.175 1.00 0.00 H new ATOM 0 HB VAL A 61 0.351 -2.494 7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.539 -3.363 8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.080 -3.125 9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.417 -1.954 9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.974 -1.934 6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.872 -0.448 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.832 -0.648 6.225 1.00 0.00 H new ATOM 937 N GLU A 62 1.710 -1.568 10.583 1.00 0.00 N ATOM 938 CA GLU A 62 2.659 -2.310 11.418 1.00 0.00 C ATOM 939 C GLU A 62 2.566 -3.820 11.127 1.00 0.00 C ATOM 940 O GLU A 62 1.476 -4.379 11.064 1.00 0.00 O ATOM 941 CB GLU A 62 2.387 -2.038 12.910 1.00 0.00 C ATOM 942 CG GLU A 62 2.770 -0.632 13.393 1.00 0.00 C ATOM 943 CD GLU A 62 1.917 0.490 12.803 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.168 0.900 11.652 1.00 0.00 O ATOM 945 OE2 GLU A 62 1.008 0.989 13.499 1.00 0.00 O ATOM 0 H GLU A 62 0.927 -1.163 11.097 1.00 0.00 H new ATOM 0 HA GLU A 62 3.667 -1.971 11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.326 -2.197 13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.934 -2.771 13.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.691 -0.600 14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.815 -0.447 13.144 1.00 0.00 H new ATOM 952 N ALA A 63 3.715 -4.477 10.962 1.00 0.00 N ATOM 953 CA ALA A 63 3.755 -5.897 10.564 1.00 0.00 C ATOM 954 C ALA A 63 3.493 -6.869 11.736 1.00 0.00 C ATOM 955 O ALA A 63 3.992 -7.995 11.738 1.00 0.00 O ATOM 956 CB ALA A 63 5.099 -6.206 9.909 1.00 0.00 C ATOM 0 H ALA A 63 4.633 -4.054 11.096 1.00 0.00 H new ATOM 0 HA ALA A 63 2.944 -6.052 9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.128 -7.255 9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.227 -5.579 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.903 -6.005 10.617 1.00 0.00 H new ATOM 962 N GLU A 64 2.694 -6.447 12.718 1.00 0.00 N ATOM 963 CA GLU A 64 2.287 -7.338 13.820 1.00 0.00 C ATOM 964 C GLU A 64 1.175 -8.322 13.382 1.00 0.00 C ATOM 965 O GLU A 64 1.212 -9.500 13.752 1.00 0.00 O ATOM 966 CB GLU A 64 1.854 -6.526 15.058 1.00 0.00 C ATOM 967 CG GLU A 64 2.923 -6.433 16.148 1.00 0.00 C ATOM 968 CD GLU A 64 4.248 -5.871 15.651 1.00 0.00 C ATOM 969 OE1 GLU A 64 4.407 -4.632 15.641 1.00 0.00 O ATOM 970 OE2 GLU A 64 5.143 -6.666 15.288 1.00 0.00 O ATOM 0 H GLU A 64 2.315 -5.502 12.778 1.00 0.00 H new ATOM 0 HA GLU A 64 3.157 -7.934 14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.584 -5.518 14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.957 -6.979 15.481 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.552 -5.805 16.958 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.092 -7.425 16.566 1.00 0.00 H new ATOM 977 N PRO A 65 0.158 -7.873 12.599 1.00 0.00 N ATOM 978 CA PRO A 65 -0.802 -8.787 11.935 1.00 0.00 C ATOM 979 C PRO A 65 -0.152 -9.590 10.785 1.00 0.00 C ATOM 980 O PRO A 65 -0.775 -9.838 9.748 1.00 0.00 O ATOM 981 CB PRO A 65 -1.890 -7.837 11.386 1.00 0.00 C ATOM 982 CG PRO A 65 -1.664 -6.534 12.081 1.00 0.00 C ATOM 983 CD PRO A 65 -0.187 -6.466 12.339 1.00 0.00 C ATOM 0 HA PRO A 65 -1.187 -9.539 12.623 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.806 -7.726 10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.889 -8.223 11.590 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.993 -5.698 11.464 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.228 -6.484 13.013 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.356 -6.067 11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.047 -5.827 13.191 1.00 0.00 H new ATOM 991 N LEU A 66 1.090 -10.021 11.006 1.00 0.00 N ATOM 992 CA LEU A 66 1.905 -10.701 9.993 1.00 0.00 C ATOM 993 C LEU A 66 1.274 -12.023 9.524 1.00 0.00 C ATOM 994 O LEU A 66 1.274 -12.338 8.328 1.00 0.00 O ATOM 995 CB LEU A 66 3.297 -10.971 10.587 1.00 0.00 C ATOM 996 CG LEU A 66 4.332 -11.595 9.636 1.00 0.00 C ATOM 997 CD1 LEU A 66 4.658 -10.643 8.494 1.00 0.00 C ATOM 998 CD2 LEU A 66 5.601 -11.969 10.396 1.00 0.00 C ATOM 0 H LEU A 66 1.565 -9.908 11.901 1.00 0.00 H new ATOM 0 HA LEU A 66 1.973 -10.054 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.699 -10.029 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.180 -11.631 11.447 1.00 0.00 H new ATOM 0 HG LEU A 66 3.901 -12.503 9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.392 -11.105 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.750 -10.425 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.066 -9.716 8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.322 -12.409 9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.031 -11.075 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.358 -12.690 11.176 1.00 0.00 H new ATOM 1010 N GLY A 67 0.739 -12.789 10.471 1.00 0.00 N ATOM 1011 CA GLY A 67 0.207 -14.109 10.156 1.00 0.00 C ATOM 1012 C GLY A 67 1.276 -15.041 9.589 1.00 0.00 C ATOM 1013 O GLY A 67 2.236 -15.389 10.282 1.00 0.00 O ATOM 0 H GLY A 67 0.663 -12.521 11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.218 -14.552 11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.605 -14.009 9.436 1.00 0.00 H new ATOM 1017 N GLU A 68 1.117 -15.436 8.330 1.00 0.00 N ATOM 1018 CA GLU A 68 2.122 -16.257 7.643 1.00 0.00 C ATOM 1019 C GLU A 68 2.076 -16.025 6.119 1.00 0.00 C ATOM 1020 O GLU A 68 2.720 -16.734 5.342 1.00 0.00 O ATOM 1021 CB GLU A 68 1.893 -17.742 7.988 1.00 0.00 C ATOM 1022 CG GLU A 68 2.973 -18.688 7.463 1.00 0.00 C ATOM 1023 CD GLU A 68 2.846 -20.098 8.019 1.00 0.00 C ATOM 1024 OE1 GLU A 68 1.963 -20.853 7.559 1.00 0.00 O ATOM 1025 OE2 GLU A 68 3.630 -20.456 8.925 1.00 0.00 O ATOM 0 H GLU A 68 0.304 -15.204 7.760 1.00 0.00 H new ATOM 0 HA GLU A 68 3.115 -15.965 7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.833 -17.845 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.929 -18.051 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.918 -18.726 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.954 -18.289 7.719 1.00 0.00 H new ATOM 1032 N ASP A 69 1.333 -15.005 5.695 1.00 0.00 N ATOM 1033 CA ASP A 69 1.122 -14.741 4.266 1.00 0.00 C ATOM 1034 C ASP A 69 1.989 -13.588 3.740 1.00 0.00 C ATOM 1035 O ASP A 69 2.296 -13.535 2.548 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.352 -14.442 4.015 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.237 -15.576 4.491 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -1.510 -16.496 3.694 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -1.638 -15.558 5.670 1.00 0.00 O ATOM 0 H ASP A 69 0.865 -14.346 6.317 1.00 0.00 H new ATOM 0 HA ASP A 69 1.423 -15.636 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.630 -13.522 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.514 -14.275 2.950 1.00 0.00 H new ATOM 1044 N LEU A 70 2.375 -12.659 4.616 1.00 0.00 N ATOM 1045 CA LEU A 70 3.261 -11.566 4.203 1.00 0.00 C ATOM 1046 C LEU A 70 4.673 -12.100 3.930 1.00 0.00 C ATOM 1047 O LEU A 70 5.477 -12.293 4.847 1.00 0.00 O ATOM 1048 CB LEU A 70 3.315 -10.448 5.249 1.00 0.00 C ATOM 1049 CG LEU A 70 4.119 -9.206 4.819 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.425 -8.479 3.667 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.340 -8.263 5.997 1.00 0.00 C ATOM 0 H LEU A 70 2.096 -12.639 5.597 1.00 0.00 H new ATOM 0 HA LEU A 70 2.851 -11.142 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.296 -10.141 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.750 -10.847 6.166 1.00 0.00 H new ATOM 0 HG LEU A 70 5.094 -9.544 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.012 -7.606 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.336 -9.151 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.432 -8.161 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.910 -7.395 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.376 -7.937 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.892 -8.782 6.780 1.00 0.00 H new ATOM 1063 N LYS A 71 4.952 -12.361 2.665 1.00 0.00 N ATOM 1064 CA LYS A 71 6.220 -12.957 2.253 1.00 0.00 C ATOM 1065 C LYS A 71 7.166 -11.912 1.640 1.00 0.00 C ATOM 1066 O LYS A 71 6.996 -11.502 0.485 1.00 0.00 O ATOM 1067 CB LYS A 71 5.957 -14.077 1.236 1.00 0.00 C ATOM 1068 CG LYS A 71 7.218 -14.801 0.770 1.00 0.00 C ATOM 1069 CD LYS A 71 6.936 -15.729 -0.407 1.00 0.00 C ATOM 1070 CE LYS A 71 5.978 -16.856 -0.041 1.00 0.00 C ATOM 1071 NZ LYS A 71 5.631 -17.681 -1.230 1.00 0.00 N ATOM 0 H LYS A 71 4.312 -12.169 1.894 1.00 0.00 H new ATOM 0 HA LYS A 71 6.703 -13.366 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.276 -14.804 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.451 -13.654 0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.972 -14.069 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.632 -15.378 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.515 -15.151 -1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.874 -16.154 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.432 -17.488 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.069 -16.437 0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.602 -18.685 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.700 -17.393 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.349 -17.543 -1.970 1.00 0.00 H new ATOM 1085 N TRP A 72 8.150 -11.472 2.420 1.00 0.00 N ATOM 1086 CA TRP A 72 9.216 -10.609 1.902 1.00 0.00 C ATOM 1087 C TRP A 72 10.119 -11.428 0.971 1.00 0.00 C ATOM 1088 O TRP A 72 11.002 -12.157 1.429 1.00 0.00 O ATOM 1089 CB TRP A 72 10.036 -10.011 3.053 1.00 0.00 C ATOM 1090 CG TRP A 72 9.222 -9.188 4.012 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.315 -9.645 4.928 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.254 -7.764 4.156 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.777 -8.591 5.624 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.337 -7.427 5.170 1.00 0.00 C ATOM 1095 CE3 TRP A 72 9.965 -6.741 3.522 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.118 -6.111 5.568 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.746 -5.435 3.918 1.00 0.00 C ATOM 1098 CH2 TRP A 72 8.828 -5.130 4.933 1.00 0.00 C ATOM 0 H TRP A 72 8.234 -11.696 3.411 1.00 0.00 H new ATOM 0 HA TRP A 72 8.771 -9.785 1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.519 -10.820 3.602 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.829 -9.390 2.637 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.059 -10.683 5.081 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.074 -8.663 6.360 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.672 -6.967 2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.412 -5.873 6.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.291 -4.636 3.438 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.679 -4.099 5.219 1.00 0.00 H new ATOM 1109 N GLU A 73 9.881 -11.316 -0.331 1.00 0.00 N ATOM 1110 CA GLU A 73 10.505 -12.214 -1.312 1.00 0.00 C ATOM 1111 C GLU A 73 10.982 -11.452 -2.557 1.00 0.00 C ATOM 1112 O GLU A 73 10.521 -10.341 -2.830 1.00 0.00 O ATOM 1113 CB GLU A 73 9.488 -13.297 -1.717 1.00 0.00 C ATOM 1114 CG GLU A 73 10.043 -14.395 -2.621 1.00 0.00 C ATOM 1115 CD GLU A 73 11.105 -15.240 -1.937 1.00 0.00 C ATOM 1116 OE1 GLU A 73 10.743 -16.217 -1.243 1.00 0.00 O ATOM 1117 OE2 GLU A 73 12.309 -14.928 -2.085 1.00 0.00 O ATOM 0 H GLU A 73 9.262 -10.615 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 73 11.381 -12.671 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.090 -13.758 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.651 -12.817 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.226 -15.039 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.467 -13.942 -3.517 1.00 0.00 H new ATOM 1124 N ALA A 74 11.905 -12.058 -3.303 1.00 0.00 N ATOM 1125 CA ALA A 74 12.399 -11.485 -4.561 1.00 0.00 C ATOM 1126 C ALA A 74 11.743 -12.167 -5.775 1.00 0.00 C ATOM 1127 O ALA A 74 10.927 -13.079 -5.622 1.00 0.00 O ATOM 1128 CB ALA A 74 13.919 -11.613 -4.632 1.00 0.00 C ATOM 0 H ALA A 74 12.330 -12.952 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 74 12.131 -10.429 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.277 -11.185 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.369 -11.080 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.198 -12.666 -4.584 1.00 0.00 H new ATOM 1134 N SER A 75 12.097 -11.722 -6.979 1.00 0.00 N ATOM 1135 CA SER A 75 11.552 -12.307 -8.215 1.00 0.00 C ATOM 1136 C SER A 75 12.658 -12.555 -9.251 1.00 0.00 C ATOM 1137 O SER A 75 12.998 -13.700 -9.556 1.00 0.00 O ATOM 1138 CB SER A 75 10.472 -11.389 -8.814 1.00 0.00 C ATOM 1139 OG SER A 75 11.010 -10.121 -9.170 1.00 0.00 O ATOM 0 H SER A 75 12.757 -10.960 -7.131 1.00 0.00 H new ATOM 0 HA SER A 75 11.104 -13.266 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.037 -11.862 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.665 -11.255 -8.093 1.00 0.00 H new ATOM 0 HG SER A 75 10.302 -9.560 -9.549 1.00 0.00 H new ATOM 1145 N ARG A 76 13.221 -11.476 -9.789 1.00 0.00 N ATOM 1146 CA ARG A 76 14.271 -11.574 -10.811 1.00 0.00 C ATOM 1147 C ARG A 76 15.656 -11.219 -10.248 1.00 0.00 C ATOM 1148 O ARG A 76 16.538 -12.078 -10.163 1.00 0.00 O ATOM 1149 CB ARG A 76 13.937 -10.663 -12.003 1.00 0.00 C ATOM 1150 CG ARG A 76 12.688 -11.087 -12.768 1.00 0.00 C ATOM 1151 CD ARG A 76 12.814 -12.512 -13.299 1.00 0.00 C ATOM 1152 NE ARG A 76 13.989 -12.681 -14.152 1.00 0.00 N ATOM 1153 CZ ARG A 76 14.426 -13.833 -14.588 1.00 0.00 C ATOM 1154 NH1 ARG A 76 13.828 -14.938 -14.269 1.00 0.00 N ATOM 1155 NH2 ARG A 76 15.474 -13.881 -15.337 1.00 0.00 N ATOM 0 H ARG A 76 12.970 -10.520 -9.537 1.00 0.00 H new ATOM 0 HA ARG A 76 14.307 -12.611 -11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.803 -9.643 -11.643 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.785 -10.650 -12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.818 -11.017 -12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.519 -10.402 -13.599 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.873 -13.206 -12.461 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.917 -12.768 -13.863 1.00 0.00 H new ATOM 0 HE ARG A 76 14.503 -11.843 -14.425 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.003 -14.917 -13.669 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.182 -15.829 -14.618 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.961 -13.021 -15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.816 -14.779 -15.678 1.00 0.00 H new ATOM 1169 N GLY A 77 15.842 -9.955 -9.874 1.00 0.00 N ATOM 1170 CA GLY A 77 17.132 -9.501 -9.360 1.00 0.00 C ATOM 1171 C GLY A 77 17.310 -9.756 -7.864 1.00 0.00 C ATOM 1172 O GLY A 77 17.493 -10.897 -7.435 1.00 0.00 O ATOM 0 H GLY A 77 15.123 -9.233 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.930 -10.005 -9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.238 -8.434 -9.555 1.00 0.00 H new ATOM 1176 N GLY A 78 17.251 -8.693 -7.066 1.00 0.00 N ATOM 1177 CA GLY A 78 17.419 -8.827 -5.622 1.00 0.00 C ATOM 1178 C GLY A 78 16.384 -8.041 -4.829 1.00 0.00 C ATOM 1179 O GLY A 78 15.354 -7.635 -5.374 1.00 0.00 O ATOM 0 H GLY A 78 17.090 -7.739 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.354 -9.881 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.417 -8.487 -5.344 1.00 0.00 H new ATOM 1183 N ALA A 79 16.670 -7.834 -3.541 1.00 0.00 N ATOM 1184 CA ALA A 79 15.783 -7.100 -2.626 1.00 0.00 C ATOM 1185 C ALA A 79 14.494 -7.877 -2.309 1.00 0.00 C ATOM 1186 O ALA A 79 13.939 -8.574 -3.159 1.00 0.00 O ATOM 1187 CB ALA A 79 15.458 -5.712 -3.173 1.00 0.00 C ATOM 0 H ALA A 79 17.525 -8.171 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 79 16.326 -6.985 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.801 -5.191 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.380 -5.144 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.961 -5.809 -4.138 1.00 0.00 H new ATOM 1193 N ARG A 80 14.022 -7.756 -1.071 1.00 0.00 N ATOM 1194 CA ARG A 80 12.794 -8.432 -0.645 1.00 0.00 C ATOM 1195 C ARG A 80 11.592 -7.479 -0.643 1.00 0.00 C ATOM 1196 O ARG A 80 11.572 -6.482 0.082 1.00 0.00 O ATOM 1197 CB ARG A 80 12.969 -9.056 0.748 1.00 0.00 C ATOM 1198 CG ARG A 80 13.932 -10.239 0.772 1.00 0.00 C ATOM 1199 CD ARG A 80 13.936 -10.942 2.128 1.00 0.00 C ATOM 1200 NE ARG A 80 14.736 -12.166 2.106 1.00 0.00 N ATOM 1201 CZ ARG A 80 14.551 -13.183 2.905 1.00 0.00 C ATOM 1202 NH1 ARG A 80 13.633 -13.152 3.818 1.00 0.00 N ATOM 1203 NH2 ARG A 80 15.294 -14.234 2.788 1.00 0.00 N ATOM 0 H ARG A 80 14.469 -7.197 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 80 12.597 -9.224 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.329 -8.291 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 80 11.996 -9.383 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.653 -10.950 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.939 -9.892 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 80 14.329 -10.265 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 80 12.912 -11.183 2.415 1.00 0.00 H new ATOM 0 HE ARG A 80 15.489 -12.230 1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 80 13.043 -12.326 3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.500 -13.953 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 80 16.022 -14.267 2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 80 15.153 -15.030 3.410 1.00 0.00 H new ATOM 1217 N PHE A 81 10.600 -7.789 -1.472 1.00 0.00 N ATOM 1218 CA PHE A 81 9.336 -7.046 -1.492 1.00 0.00 C ATOM 1219 C PHE A 81 8.266 -7.783 -0.667 1.00 0.00 C ATOM 1220 O PHE A 81 8.067 -8.990 -0.836 1.00 0.00 O ATOM 1221 CB PHE A 81 8.848 -6.860 -2.938 1.00 0.00 C ATOM 1222 CG PHE A 81 9.784 -6.048 -3.802 1.00 0.00 C ATOM 1223 CD1 PHE A 81 10.846 -6.654 -4.462 1.00 0.00 C ATOM 1224 CD2 PHE A 81 9.598 -4.680 -3.957 1.00 0.00 C ATOM 1225 CE1 PHE A 81 11.700 -5.913 -5.257 1.00 0.00 C ATOM 1226 CE2 PHE A 81 10.451 -3.936 -4.750 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.503 -4.554 -5.401 1.00 0.00 C ATOM 0 H PHE A 81 10.644 -8.554 -2.145 1.00 0.00 H new ATOM 0 HA PHE A 81 9.507 -6.065 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.709 -7.841 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.872 -6.375 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.006 -7.716 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.777 -4.192 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.521 -6.397 -5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.296 -2.873 -4.861 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.170 -3.974 -6.022 1.00 0.00 H new ATOM 1237 N PRO A 82 7.579 -7.084 0.257 1.00 0.00 N ATOM 1238 CA PRO A 82 6.515 -7.695 1.068 1.00 0.00 C ATOM 1239 C PRO A 82 5.289 -8.097 0.227 1.00 0.00 C ATOM 1240 O PRO A 82 4.502 -7.253 -0.198 1.00 0.00 O ATOM 1241 CB PRO A 82 6.160 -6.598 2.086 1.00 0.00 C ATOM 1242 CG PRO A 82 6.592 -5.321 1.443 1.00 0.00 C ATOM 1243 CD PRO A 82 7.790 -5.663 0.597 1.00 0.00 C ATOM 0 HA PRO A 82 6.840 -8.625 1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.092 -6.590 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.675 -6.757 3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.792 -4.901 0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.846 -4.573 2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.841 -5.040 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.722 -5.515 1.143 1.00 0.00 H new ATOM 1251 N HIS A 83 5.151 -9.391 -0.038 1.00 0.00 N ATOM 1252 CA HIS A 83 4.015 -9.914 -0.806 1.00 0.00 C ATOM 1253 C HIS A 83 2.910 -10.429 0.125 1.00 0.00 C ATOM 1254 O HIS A 83 3.181 -10.828 1.251 1.00 0.00 O ATOM 1255 CB HIS A 83 4.485 -11.043 -1.729 1.00 0.00 C ATOM 1256 CG HIS A 83 5.502 -10.604 -2.737 1.00 0.00 C ATOM 1257 ND1 HIS A 83 6.860 -10.691 -2.526 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.354 -10.091 -3.982 1.00 0.00 C ATOM 1259 CE1 HIS A 83 7.500 -10.248 -3.591 1.00 0.00 C ATOM 1260 NE2 HIS A 83 6.611 -9.877 -4.488 1.00 0.00 N ATOM 0 H HIS A 83 5.813 -10.105 0.267 1.00 0.00 H new ATOM 0 HA HIS A 83 3.606 -9.101 -1.405 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.907 -11.845 -1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.623 -11.458 -2.251 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.303 -11.044 -1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.419 -9.888 -4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.573 -10.198 -3.707 1.00 0.00 H new ATOM 1269 N LEU A 84 1.669 -10.435 -0.355 1.00 0.00 N ATOM 1270 CA LEU A 84 0.530 -10.903 0.450 1.00 0.00 C ATOM 1271 C LEU A 84 -0.331 -11.927 -0.298 1.00 0.00 C ATOM 1272 O LEU A 84 -0.488 -11.866 -1.516 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.350 -9.718 0.890 1.00 0.00 C ATOM 1274 CG LEU A 84 0.037 -9.058 2.221 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.830 -7.829 2.484 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -0.090 -10.060 3.368 1.00 0.00 C ATOM 0 H LEU A 84 1.421 -10.123 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 84 0.950 -11.394 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.322 -8.959 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.381 -10.063 0.963 1.00 0.00 H new ATOM 0 HG LEU A 84 1.076 -8.735 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.540 -7.375 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.692 -7.107 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.878 -8.126 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.188 -9.577 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.120 -10.411 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.571 -10.907 3.186 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.875 -12.874 0.456 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.874 -13.813 -0.062 1.00 0.00 C ATOM 1290 C TYR A 85 -3.227 -13.574 0.635 1.00 0.00 C ATOM 1291 O TYR A 85 -4.166 -14.359 0.502 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.396 -15.257 0.147 1.00 0.00 C ATOM 1293 CG TYR A 85 -0.055 -15.545 -0.514 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.021 -15.911 -1.855 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.137 -15.434 0.201 1.00 0.00 C ATOM 1296 CE1 TYR A 85 1.240 -16.159 -2.462 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.359 -15.678 -0.401 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.406 -16.041 -1.732 1.00 0.00 C ATOM 1299 OH TYR A 85 3.624 -16.285 -2.334 1.00 0.00 O ATOM 0 H TYR A 85 -0.641 -13.016 1.439 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.004 -13.649 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.317 -15.456 1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.145 -15.942 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.887 -16.003 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.106 -15.153 1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.279 -16.444 -3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.272 -15.585 0.168 1.00 0.00 H new ATOM 0 HH TYR A 85 4.235 -15.541 -2.149 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.299 -12.467 1.384 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.525 -12.036 2.075 1.00 0.00 C ATOM 1311 C ARG A 86 -4.976 -10.665 1.551 1.00 0.00 C ATOM 1312 O ARG A 86 -4.153 -9.757 1.421 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.275 -11.901 3.588 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.759 -13.155 4.289 1.00 0.00 C ATOM 1315 CD ARG A 86 -4.804 -14.263 4.374 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.961 -14.987 3.115 1.00 0.00 N ATOM 1317 CZ ARG A 86 -5.161 -16.275 3.038 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -5.206 -16.995 4.114 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -5.305 -16.842 1.884 1.00 0.00 N ATOM 0 H ARG A 86 -2.507 -11.841 1.530 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.292 -12.788 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.558 -11.096 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.207 -11.597 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.884 -13.528 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.432 -12.893 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.521 -14.964 5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.763 -13.832 4.662 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.912 -14.456 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.085 -16.556 5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.363 -18.001 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.262 -16.283 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.461 -17.848 1.826 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.273 -10.477 1.246 1.00 0.00 N ATOM 1334 CA PRO A 87 -6.793 -9.153 0.875 1.00 0.00 C ATOM 1335 C PRO A 87 -6.778 -8.183 2.071 1.00 0.00 C ATOM 1336 O PRO A 87 -7.153 -8.545 3.190 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.227 -9.431 0.391 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.312 -10.920 0.233 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.325 -11.503 1.210 1.00 0.00 C ATOM 0 HA PRO A 87 -6.185 -8.670 0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.962 -9.070 1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.429 -8.924 -0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.321 -11.276 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.072 -11.218 -0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.771 -11.662 2.192 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.942 -12.466 0.874 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.354 -6.946 1.829 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.110 -5.989 2.912 1.00 0.00 C ATOM 1349 C LEU A 88 -7.416 -5.389 3.443 1.00 0.00 C ATOM 1350 O LEU A 88 -8.010 -4.503 2.827 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.163 -4.874 2.442 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.779 -3.836 3.513 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -4.062 -4.499 4.688 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.917 -2.730 2.906 1.00 0.00 C ATOM 0 H LEU A 88 -6.171 -6.580 0.895 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.638 -6.533 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.250 -5.333 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.630 -4.353 1.606 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.697 -3.386 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.802 -3.743 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.718 -5.242 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.154 -4.985 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.656 -2.007 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.006 -3.164 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.473 -2.229 2.113 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.870 -5.895 4.583 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.045 -5.344 5.253 1.00 0.00 C ATOM 1368 C LEU A 89 -8.775 -3.900 5.701 1.00 0.00 C ATOM 1369 O LEU A 89 -7.858 -3.652 6.484 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.418 -6.210 6.466 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.629 -7.704 6.168 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -9.993 -8.462 7.440 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.698 -7.894 5.094 1.00 0.00 C ATOM 0 H LEU A 89 -7.443 -6.686 5.064 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.878 -5.343 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.633 -6.113 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.331 -5.812 6.908 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.693 -8.113 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.138 -9.517 7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.188 -8.359 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.914 -8.053 7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.832 -8.958 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.640 -7.467 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.386 -7.393 4.178 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.571 -2.956 5.203 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.381 -1.534 5.522 1.00 0.00 C ATOM 1387 C VAL A 90 -9.336 -1.296 7.044 1.00 0.00 C ATOM 1388 O VAL A 90 -8.575 -0.459 7.535 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.498 -0.667 4.887 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -10.320 0.811 5.232 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.534 -0.865 3.374 1.00 0.00 C ATOM 0 H VAL A 90 -10.354 -3.145 4.577 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.421 -1.237 5.100 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.451 -0.993 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.120 1.391 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.356 0.939 6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.357 1.159 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.324 -0.249 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.575 -0.574 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.729 -1.913 3.149 1.00 0.00 H new ATOM 1401 N SER A 91 -10.141 -2.059 7.780 1.00 0.00 N ATOM 1402 CA SER A 91 -10.174 -1.986 9.252 1.00 0.00 C ATOM 1403 C SER A 91 -8.810 -2.317 9.891 1.00 0.00 C ATOM 1404 O SER A 91 -8.470 -1.789 10.954 1.00 0.00 O ATOM 1405 CB SER A 91 -11.246 -2.940 9.801 1.00 0.00 C ATOM 1406 OG SER A 91 -11.212 -3.014 11.219 1.00 0.00 O ATOM 0 H SER A 91 -10.787 -2.742 7.384 1.00 0.00 H new ATOM 0 HA SER A 91 -10.417 -0.957 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.231 -2.603 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.096 -3.935 9.382 1.00 0.00 H new ATOM 0 HG SER A 91 -11.909 -3.629 11.531 1.00 0.00 H new ATOM 1412 N GLU A 92 -8.025 -3.174 9.238 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.726 -3.607 9.779 1.00 0.00 C ATOM 1414 C GLU A 92 -5.633 -2.549 9.537 1.00 0.00 C ATOM 1415 O GLU A 92 -4.605 -2.537 10.215 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.308 -4.947 9.146 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.104 -5.616 9.816 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.410 -6.130 11.219 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -5.382 -5.331 12.176 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.691 -7.341 11.369 1.00 0.00 O ATOM 0 H GLU A 92 -8.261 -3.585 8.335 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.840 -3.734 10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.155 -5.632 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.077 -4.781 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.766 -6.447 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.282 -4.902 9.868 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.864 -1.659 8.572 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.887 -0.616 8.225 1.00 0.00 C ATOM 1429 C VAL A 93 -4.692 0.387 9.378 1.00 0.00 C ATOM 1430 O VAL A 93 -5.655 0.986 9.860 1.00 0.00 O ATOM 1431 CB VAL A 93 -5.321 0.146 6.949 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -4.288 1.202 6.552 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.568 -0.835 5.805 1.00 0.00 C ATOM 0 H VAL A 93 -6.718 -1.636 8.014 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.938 -1.119 8.039 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.253 0.668 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.623 1.719 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.173 1.922 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.330 0.719 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.873 -0.286 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.652 -1.387 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.356 -1.533 6.088 1.00 0.00 H new ATOM 1443 N THR A 94 -3.443 0.567 9.810 1.00 0.00 N ATOM 1444 CA THR A 94 -3.126 1.453 10.924 1.00 0.00 C ATOM 1445 C THR A 94 -3.152 2.936 10.515 1.00 0.00 C ATOM 1446 O THR A 94 -3.894 3.727 11.101 1.00 0.00 O ATOM 1447 CB THR A 94 -1.746 1.105 11.518 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.723 1.256 10.525 1.00 0.00 O ATOM 1449 CG2 THR A 94 -1.728 -0.324 12.062 1.00 0.00 C ATOM 0 H THR A 94 -2.631 0.106 9.400 1.00 0.00 H new ATOM 0 HA THR A 94 -3.898 1.300 11.678 1.00 0.00 H new ATOM 0 HB THR A 94 -1.553 1.793 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.157 1.214 10.953 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.743 -0.544 12.475 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.480 -0.425 12.844 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.947 -1.023 11.255 1.00 0.00 H new ATOM 1457 N ARG A 95 -2.345 3.325 9.521 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.336 4.724 9.058 1.00 0.00 C ATOM 1459 C ARG A 95 -2.435 4.828 7.522 1.00 0.00 C ATOM 1460 O ARG A 95 -1.899 3.992 6.790 1.00 0.00 O ATOM 1461 CB ARG A 95 -1.066 5.441 9.547 1.00 0.00 C ATOM 1462 CG ARG A 95 0.198 5.020 8.808 1.00 0.00 C ATOM 1463 CD ARG A 95 1.455 5.656 9.392 1.00 0.00 C ATOM 1464 NE ARG A 95 1.746 5.174 10.742 1.00 0.00 N ATOM 1465 CZ ARG A 95 2.137 3.956 11.020 1.00 0.00 C ATOM 1466 NH1 ARG A 95 2.226 3.057 10.095 1.00 0.00 N ATOM 1467 NH2 ARG A 95 2.429 3.627 12.232 1.00 0.00 N ATOM 0 H ARG A 95 -1.700 2.707 9.028 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.216 5.208 9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.201 6.517 9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.936 5.246 10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.293 3.935 8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.110 5.296 7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.303 5.442 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.335 6.739 9.413 1.00 0.00 H new ATOM 0 HE ARG A 95 1.637 5.829 11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.990 3.292 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.532 2.113 10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.356 4.317 12.980 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.733 2.677 12.443 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.118 5.869 7.046 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.234 6.144 5.608 1.00 0.00 C ATOM 1483 C GLU A 96 -2.702 7.550 5.269 1.00 0.00 C ATOM 1484 O GLU A 96 -3.403 8.552 5.426 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.699 5.992 5.151 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.703 6.777 6.000 1.00 0.00 C ATOM 1487 CD GLU A 96 -7.117 6.724 5.443 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.810 5.713 5.657 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.540 7.691 4.774 1.00 0.00 O ATOM 0 H GLU A 96 -3.604 6.542 7.638 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.624 5.417 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.781 6.320 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.968 4.936 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.702 6.379 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.382 7.817 6.065 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.452 7.620 4.810 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.807 8.909 4.527 1.00 0.00 C ATOM 1498 C ALA A 97 -1.193 9.443 3.141 1.00 0.00 C ATOM 1499 O ALA A 97 -0.909 8.815 2.124 1.00 0.00 O ATOM 1500 CB ALA A 97 0.708 8.778 4.644 1.00 0.00 C ATOM 0 H ALA A 97 -0.866 6.806 4.626 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.160 9.627 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.174 9.740 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.969 8.463 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.065 8.037 3.929 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.833 10.606 3.107 1.00 0.00 N ATOM 1507 CA ASP A 98 -2.269 11.209 1.848 1.00 0.00 C ATOM 1508 C ASP A 98 -1.120 12.008 1.207 1.00 0.00 C ATOM 1509 O ASP A 98 -0.758 13.089 1.675 1.00 0.00 O ATOM 1510 CB ASP A 98 -3.485 12.105 2.099 1.00 0.00 C ATOM 1511 CG ASP A 98 -4.243 12.419 0.824 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.900 11.504 0.282 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -4.217 13.583 0.374 1.00 0.00 O ATOM 0 H ASP A 98 -2.063 11.153 3.937 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.555 10.419 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.155 11.615 2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.158 13.036 2.563 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.539 11.453 0.146 1.00 0.00 N ATOM 1519 CA LEU A 99 0.650 12.031 -0.490 1.00 0.00 C ATOM 1520 C LEU A 99 0.298 13.155 -1.476 1.00 0.00 C ATOM 1521 O LEU A 99 -0.162 12.904 -2.594 1.00 0.00 O ATOM 1522 CB LEU A 99 1.446 10.933 -1.213 1.00 0.00 C ATOM 1523 CG LEU A 99 1.891 9.752 -0.331 1.00 0.00 C ATOM 1524 CD1 LEU A 99 2.550 8.663 -1.175 1.00 0.00 C ATOM 1525 CD2 LEU A 99 2.838 10.221 0.774 1.00 0.00 C ATOM 0 H LEU A 99 -0.873 10.597 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 99 1.258 12.470 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.838 10.545 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.331 11.384 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 99 1.002 9.331 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.856 7.839 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.840 8.299 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.425 9.073 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.138 9.368 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.722 10.676 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.331 10.954 1.401 1.00 0.00 H new ATOM 1537 N ASP A 100 0.515 14.395 -1.043 1.00 0.00 N ATOM 1538 CA ASP A 100 0.370 15.564 -1.913 1.00 0.00 C ATOM 1539 C ASP A 100 1.717 15.902 -2.578 1.00 0.00 C ATOM 1540 O ASP A 100 2.774 15.778 -1.954 1.00 0.00 O ATOM 1541 CB ASP A 100 -0.151 16.758 -1.100 1.00 0.00 C ATOM 1542 CG ASP A 100 -0.442 17.972 -1.964 1.00 0.00 C ATOM 1543 OD1 ASP A 100 -1.343 17.891 -2.824 1.00 0.00 O ATOM 1544 OD2 ASP A 100 0.220 19.017 -1.788 1.00 0.00 O ATOM 0 H ASP A 100 0.794 14.619 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.351 15.338 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.060 16.465 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.585 17.025 -0.341 1.00 0.00 H new ATOM 1549 N LEU A 101 1.680 16.317 -3.843 1.00 0.00 N ATOM 1550 CA LEU A 101 2.910 16.584 -4.603 1.00 0.00 C ATOM 1551 C LEU A 101 3.576 17.909 -4.195 1.00 0.00 C ATOM 1552 O LEU A 101 2.938 18.966 -4.194 1.00 0.00 O ATOM 1553 CB LEU A 101 2.616 16.608 -6.109 1.00 0.00 C ATOM 1554 CG LEU A 101 1.978 15.332 -6.676 1.00 0.00 C ATOM 1555 CD1 LEU A 101 1.872 15.420 -8.195 1.00 0.00 C ATOM 1556 CD2 LEU A 101 2.764 14.092 -6.256 1.00 0.00 C ATOM 0 H LEU A 101 0.819 16.476 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 101 3.602 15.775 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.955 17.449 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.549 16.795 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 101 0.972 15.242 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.418 14.508 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.255 16.276 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.867 15.539 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.290 13.203 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.786 14.166 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.778 14.021 -5.168 1.00 0.00 H new ATOM 1568 N ASP A 102 4.866 17.839 -3.861 1.00 0.00 N ATOM 1569 CA ASP A 102 5.670 19.029 -3.547 1.00 0.00 C ATOM 1570 C ASP A 102 7.042 18.987 -4.244 1.00 0.00 C ATOM 1571 O ASP A 102 7.447 17.956 -4.792 1.00 0.00 O ATOM 1572 CB ASP A 102 5.870 19.168 -2.029 1.00 0.00 C ATOM 1573 CG ASP A 102 4.646 19.728 -1.328 1.00 0.00 C ATOM 1574 OD1 ASP A 102 4.237 20.857 -1.666 1.00 0.00 O ATOM 1575 OD2 ASP A 102 4.098 19.058 -0.428 1.00 0.00 O ATOM 0 H ASP A 102 5.384 16.962 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 102 5.120 19.894 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.111 18.192 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.724 19.818 -1.837 1.00 0.00 H new ATOM 1580 N ALA A 103 7.735 20.128 -4.226 1.00 0.00 N ATOM 1581 CA ALA A 103 9.116 20.243 -4.724 1.00 0.00 C ATOM 1582 C ALA A 103 9.274 19.801 -6.191 1.00 0.00 C ATOM 1583 O ALA A 103 9.260 20.627 -7.107 1.00 0.00 O ATOM 1584 CB ALA A 103 10.071 19.458 -3.824 1.00 0.00 C ATOM 0 H ALA A 103 7.357 21.004 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 103 9.370 21.303 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.088 19.552 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.024 19.855 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.782 18.407 -3.816 1.00 0.00 H new ATOM 1590 N ASP A 104 9.415 18.494 -6.410 1.00 0.00 N ATOM 1591 CA ASP A 104 9.664 17.946 -7.749 1.00 0.00 C ATOM 1592 C ASP A 104 8.381 17.380 -8.378 1.00 0.00 C ATOM 1593 O ASP A 104 8.413 16.823 -9.477 1.00 0.00 O ATOM 1594 CB ASP A 104 10.725 16.840 -7.668 1.00 0.00 C ATOM 1595 CG ASP A 104 11.972 17.278 -6.918 1.00 0.00 C ATOM 1596 OD1 ASP A 104 12.793 18.019 -7.495 1.00 0.00 O ATOM 1597 OD2 ASP A 104 12.136 16.881 -5.742 1.00 0.00 O ATOM 0 H ASP A 104 9.361 17.789 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 104 10.020 18.760 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.297 15.967 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.002 16.533 -8.677 1.00 0.00 H new ATOM 1602 N GLY A 105 7.255 17.534 -7.686 1.00 0.00 N ATOM 1603 CA GLY A 105 6.011 16.913 -8.130 1.00 0.00 C ATOM 1604 C GLY A 105 5.976 15.417 -7.830 1.00 0.00 C ATOM 1605 O GLY A 105 5.240 14.661 -8.460 1.00 0.00 O ATOM 0 H GLY A 105 7.178 18.077 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.168 17.400 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.891 17.070 -9.202 1.00 0.00 H new ATOM 1609 N VAL A 106 6.784 15.004 -6.852 1.00 0.00 N ATOM 1610 CA VAL A 106 6.913 13.594 -6.454 1.00 0.00 C ATOM 1611 C VAL A 106 6.591 13.431 -4.957 1.00 0.00 C ATOM 1612 O VAL A 106 7.026 14.245 -4.146 1.00 0.00 O ATOM 1613 CB VAL A 106 8.356 13.077 -6.729 1.00 0.00 C ATOM 1614 CG1 VAL A 106 8.532 11.632 -6.258 1.00 0.00 C ATOM 1615 CG2 VAL A 106 8.704 13.208 -8.212 1.00 0.00 C ATOM 0 H VAL A 106 7.371 15.637 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 106 6.206 13.010 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 106 9.045 13.698 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.550 11.303 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.343 11.573 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.828 10.989 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 106 9.716 12.841 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.001 12.621 -8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.643 14.255 -8.509 1.00 0.00 H new ATOM 1625 N PRO A 107 5.814 12.396 -4.571 1.00 0.00 N ATOM 1626 CA PRO A 107 5.454 12.151 -3.156 1.00 0.00 C ATOM 1627 C PRO A 107 6.673 12.055 -2.211 1.00 0.00 C ATOM 1628 O PRO A 107 7.515 11.165 -2.348 1.00 0.00 O ATOM 1629 CB PRO A 107 4.710 10.809 -3.211 1.00 0.00 C ATOM 1630 CG PRO A 107 4.174 10.730 -4.600 1.00 0.00 C ATOM 1631 CD PRO A 107 5.202 11.396 -5.473 1.00 0.00 C ATOM 0 HA PRO A 107 4.868 12.975 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.380 9.976 -2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 107 3.908 10.771 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.017 9.694 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.210 11.233 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.939 10.683 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.747 11.865 -6.345 1.00 0.00 H new ATOM 1639 N GLN A 108 6.755 12.977 -1.247 1.00 0.00 N ATOM 1640 CA GLN A 108 7.855 13.004 -0.270 1.00 0.00 C ATOM 1641 C GLN A 108 7.704 11.908 0.801 1.00 0.00 C ATOM 1642 O GLN A 108 6.943 12.061 1.753 1.00 0.00 O ATOM 1643 CB GLN A 108 7.928 14.380 0.419 1.00 0.00 C ATOM 1644 CG GLN A 108 8.406 15.522 -0.475 1.00 0.00 C ATOM 1645 CD GLN A 108 7.467 15.824 -1.628 1.00 0.00 C ATOM 1646 OE1 GLN A 108 6.256 15.642 -1.538 1.00 0.00 O ATOM 1647 NE2 GLN A 108 8.020 16.285 -2.726 1.00 0.00 N ATOM 0 H GLN A 108 6.069 13.721 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 108 8.776 12.816 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.940 14.630 0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.596 14.306 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.526 16.421 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.389 15.273 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.029 16.425 -2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.440 16.503 -3.536 1.00 0.00 H new ATOM 1656 N LEU A 109 8.403 10.784 0.628 1.00 0.00 N ATOM 1657 CA LEU A 109 8.439 9.732 1.663 1.00 0.00 C ATOM 1658 C LEU A 109 9.730 9.793 2.492 1.00 0.00 C ATOM 1659 O LEU A 109 9.696 9.625 3.709 1.00 0.00 O ATOM 1660 CB LEU A 109 8.274 8.328 1.052 1.00 0.00 C ATOM 1661 CG LEU A 109 6.840 7.948 0.635 1.00 0.00 C ATOM 1662 CD1 LEU A 109 6.286 8.926 -0.392 1.00 0.00 C ATOM 1663 CD2 LEU A 109 6.794 6.518 0.103 1.00 0.00 C ATOM 0 H LEU A 109 8.949 10.574 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 109 7.595 9.921 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.919 8.254 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.630 7.593 1.774 1.00 0.00 H new ATOM 0 HG LEU A 109 6.208 8.004 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.273 8.631 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.269 9.929 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.919 8.919 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.773 6.270 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.448 6.431 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.129 5.830 0.879 1.00 0.00 H new ATOM 1675 N GLY A 110 10.863 10.044 1.828 1.00 0.00 N ATOM 1676 CA GLY A 110 12.159 10.076 2.513 1.00 0.00 C ATOM 1677 C GLY A 110 12.162 10.934 3.778 1.00 0.00 C ATOM 1678 O GLY A 110 12.714 10.541 4.806 1.00 0.00 O ATOM 0 H GLY A 110 10.909 10.227 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.448 9.058 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.915 10.455 1.825 1.00 0.00 H new ATOM 1682 N ASP A 111 11.539 12.105 3.700 1.00 0.00 N ATOM 1683 CA ASP A 111 11.417 13.008 4.852 1.00 0.00 C ATOM 1684 C ASP A 111 10.143 12.728 5.679 1.00 0.00 C ATOM 1685 O ASP A 111 10.123 12.948 6.891 1.00 0.00 O ATOM 1686 CB ASP A 111 11.432 14.460 4.365 1.00 0.00 C ATOM 1687 CG ASP A 111 10.443 14.691 3.238 1.00 0.00 C ATOM 1688 OD1 ASP A 111 10.749 14.286 2.094 1.00 0.00 O ATOM 1689 OD2 ASP A 111 9.362 15.259 3.491 1.00 0.00 O ATOM 0 H ASP A 111 11.106 12.458 2.847 1.00 0.00 H new ATOM 0 HA ASP A 111 12.267 12.831 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.196 15.124 5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.435 14.718 4.026 1.00 0.00 H new ATOM 1694 N HIS A 112 9.089 12.232 5.024 1.00 0.00 N ATOM 1695 CA HIS A 112 7.820 11.937 5.705 1.00 0.00 C ATOM 1696 C HIS A 112 7.961 10.787 6.714 1.00 0.00 C ATOM 1697 O HIS A 112 7.286 10.766 7.745 1.00 0.00 O ATOM 1698 CB HIS A 112 6.743 11.592 4.668 1.00 0.00 C ATOM 1699 CG HIS A 112 5.431 11.165 5.258 1.00 0.00 C ATOM 1700 ND1 HIS A 112 4.496 12.049 5.742 1.00 0.00 N ATOM 1701 CD2 HIS A 112 4.901 9.932 5.436 1.00 0.00 C ATOM 1702 CE1 HIS A 112 3.455 11.386 6.196 1.00 0.00 C ATOM 1703 NE2 HIS A 112 3.670 10.097 6.023 1.00 0.00 N ATOM 0 H HIS A 112 9.087 12.026 4.025 1.00 0.00 H new ATOM 0 HA HIS A 112 7.528 12.828 6.261 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.576 12.461 4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.116 10.794 4.026 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.361 8.993 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 112 2.572 11.824 6.637 1.00 0.00 H new ATOM 0 HE2 HIS A 112 3.029 9.347 6.282 1.00 0.00 H new ATOM 1712 N LEU A 113 8.826 9.824 6.408 1.00 0.00 N ATOM 1713 CA LEU A 113 9.022 8.663 7.281 1.00 0.00 C ATOM 1714 C LEU A 113 9.958 8.991 8.456 1.00 0.00 C ATOM 1715 O LEU A 113 10.715 9.966 8.418 1.00 0.00 O ATOM 1716 CB LEU A 113 9.573 7.474 6.482 1.00 0.00 C ATOM 1717 CG LEU A 113 8.744 7.070 5.249 1.00 0.00 C ATOM 1718 CD1 LEU A 113 9.341 5.837 4.570 1.00 0.00 C ATOM 1719 CD2 LEU A 113 7.284 6.833 5.632 1.00 0.00 C ATOM 0 H LEU A 113 9.402 9.821 5.566 1.00 0.00 H new ATOM 0 HA LEU A 113 8.049 8.394 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.585 7.714 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.648 6.614 7.147 1.00 0.00 H new ATOM 0 HG LEU A 113 8.775 7.893 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.737 5.572 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.360 6.055 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.352 5.004 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.717 6.549 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.227 6.034 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.865 7.747 6.053 1.00 0.00 H new