USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 41 SER OG : rot 95:sc= 0.107 USER MOD Set 1.2: A 57 CYS SG : rot 180:sc= -0.476 USER MOD Set 2.1: A 8 ASN :FLIP amide:sc= -1.54 F(o=-8.2!,f=-5.7) USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -4.18 F(o=-8.4!,f=-5.7) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.156 (180deg=-0.717) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 18 SER OG : rot -32:sc= 0.453 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -4:sc= 0.834 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 130:sc= 0 USER MOD Single : A 32 SER OG : rot 113:sc= 0.347 USER MOD Single : A 37 GLN : amide:sc= -8.97! C(o=-9!,f=-11!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= 0.869 (180deg=-1.3!) USER MOD Single : A 47 THR OG1 : rot -2:sc= 0.302! USER MOD Single : A 54 LYS NZ :NH3+ 145:sc= -2.04! (180deg=-2.57!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= -0.443 (180deg=-3.64!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -13.547 15.114 8.569 1.00 0.00 N ATOM 2 CA GLU A 3 -13.626 14.238 7.366 1.00 0.00 C ATOM 3 C GLU A 3 -12.781 12.982 7.593 1.00 0.00 C ATOM 4 O GLU A 3 -11.630 12.918 7.204 1.00 0.00 O ATOM 5 CB GLU A 3 -13.110 15.009 6.143 1.00 0.00 C ATOM 6 CG GLU A 3 -11.969 15.940 6.562 1.00 0.00 C ATOM 7 CD GLU A 3 -11.225 16.432 5.317 1.00 0.00 C ATOM 8 OE1 GLU A 3 -11.825 16.442 4.255 1.00 0.00 O ATOM 9 OE2 GLU A 3 -10.066 16.793 5.448 1.00 0.00 O ATOM 0 HA GLU A 3 -14.660 13.942 7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.761 14.311 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.919 15.588 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.365 16.788 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.282 15.414 7.225 1.00 0.00 H new ATOM 16 N LYS A 4 -13.346 11.980 8.216 1.00 0.00 N ATOM 17 CA LYS A 4 -12.581 10.725 8.467 1.00 0.00 C ATOM 18 C LYS A 4 -12.633 9.865 7.200 1.00 0.00 C ATOM 19 O LYS A 4 -13.577 9.928 6.436 1.00 0.00 O ATOM 20 CB LYS A 4 -13.204 9.977 9.657 1.00 0.00 C ATOM 21 CG LYS A 4 -12.261 8.866 10.156 1.00 0.00 C ATOM 22 CD LYS A 4 -12.609 8.499 11.606 1.00 0.00 C ATOM 23 CE LYS A 4 -14.085 8.113 11.710 1.00 0.00 C ATOM 24 NZ LYS A 4 -14.304 7.351 12.975 1.00 0.00 N ATOM 0 H LYS A 4 -14.306 11.978 8.562 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.542 10.950 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.409 10.678 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.159 9.544 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.350 7.987 9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.226 9.201 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.984 7.671 11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.398 9.342 12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.709 9.007 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.377 7.508 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.307 7.086 13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.718 6.492 12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.040 7.944 13.788 1.00 0.00 H new ATOM 38 N ARG A 5 -11.612 9.087 6.950 1.00 0.00 N ATOM 39 CA ARG A 5 -11.585 8.255 5.707 1.00 0.00 C ATOM 40 C ARG A 5 -12.314 6.933 5.922 1.00 0.00 C ATOM 41 O ARG A 5 -12.233 6.320 6.968 1.00 0.00 O ATOM 42 CB ARG A 5 -10.133 7.960 5.302 1.00 0.00 C ATOM 43 CG ARG A 5 -9.433 9.250 4.827 1.00 0.00 C ATOM 44 CD ARG A 5 -8.887 10.057 6.025 1.00 0.00 C ATOM 45 NE ARG A 5 -9.212 11.505 5.830 1.00 0.00 N ATOM 46 CZ ARG A 5 -8.915 12.109 4.714 1.00 0.00 C ATOM 47 NH1 ARG A 5 -8.225 11.487 3.802 1.00 0.00 N ATOM 48 NH2 ARG A 5 -9.277 13.349 4.524 1.00 0.00 N ATOM 0 H ARG A 5 -10.795 8.991 7.552 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.086 8.816 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.592 7.536 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.115 7.215 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.616 8.997 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.136 9.862 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.327 9.695 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.809 9.922 6.109 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.671 12.024 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.917 10.528 3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.992 11.959 2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.793 13.847 5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.044 13.820 3.650 1.00 0.00 H new ATOM 62 N ARG A 6 -13.018 6.489 4.915 1.00 0.00 N ATOM 63 CA ARG A 6 -13.760 5.198 5.003 1.00 0.00 C ATOM 64 C ARG A 6 -13.742 4.548 3.620 1.00 0.00 C ATOM 65 O ARG A 6 -13.495 5.210 2.632 1.00 0.00 O ATOM 66 CB ARG A 6 -15.214 5.471 5.436 1.00 0.00 C ATOM 67 CG ARG A 6 -15.840 4.207 6.084 1.00 0.00 C ATOM 68 CD ARG A 6 -15.878 4.358 7.610 1.00 0.00 C ATOM 69 NE ARG A 6 -16.717 5.541 7.965 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.124 5.715 9.194 1.00 0.00 C ATOM 71 NH1 ARG A 6 -16.817 4.840 10.115 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.836 6.765 9.503 1.00 0.00 N ATOM 0 H ARG A 6 -13.111 6.974 4.022 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.295 4.537 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.238 6.299 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.805 5.774 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.849 4.055 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.260 3.325 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.287 3.457 8.067 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.868 4.483 8.000 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.973 6.216 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.259 4.021 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.135 4.977 11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.074 7.449 8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.154 6.901 10.463 1.00 0.00 H new ATOM 86 N ASP A 7 -14.003 3.264 3.531 1.00 0.00 N ATOM 87 CA ASP A 7 -13.999 2.584 2.193 1.00 0.00 C ATOM 88 C ASP A 7 -15.346 1.904 1.950 1.00 0.00 C ATOM 89 O ASP A 7 -16.303 2.118 2.667 1.00 0.00 O ATOM 90 CB ASP A 7 -12.887 1.536 2.142 1.00 0.00 C ATOM 91 CG ASP A 7 -13.167 0.435 3.161 1.00 0.00 C ATOM 92 OD1 ASP A 7 -13.871 0.709 4.116 1.00 0.00 O ATOM 93 OD2 ASP A 7 -12.670 -0.662 2.970 1.00 0.00 O ATOM 0 H ASP A 7 -14.218 2.659 4.323 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.826 3.333 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.822 1.110 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.925 2.003 2.353 1.00 0.00 H new ATOM 98 N ASN A 8 -15.428 1.098 0.928 1.00 0.00 N ATOM 99 CA ASN A 8 -16.711 0.405 0.615 1.00 0.00 C ATOM 100 C ASN A 8 -17.037 -0.618 1.709 1.00 0.00 C ATOM 101 O ASN A 8 -18.167 -1.035 1.863 1.00 0.00 O ATOM 102 CB ASN A 8 -16.570 -0.323 -0.726 1.00 0.00 C ATOM 103 CG ASN A 8 -16.232 0.684 -1.829 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.054 0.639 -2.398 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -17.042 1.524 -2.171 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.658 0.888 0.293 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.514 1.141 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.788 -1.079 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.497 -0.843 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.960 1.558 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.804 2.194 -2.902 1.00 0.00 H new ATOM 112 N ARG A 9 -16.052 -1.049 2.451 1.00 0.00 N ATOM 113 CA ARG A 9 -16.297 -2.070 3.510 1.00 0.00 C ATOM 114 C ARG A 9 -16.482 -1.401 4.876 1.00 0.00 C ATOM 115 O ARG A 9 -16.788 -2.055 5.850 1.00 0.00 O ATOM 116 CB ARG A 9 -15.095 -3.020 3.561 1.00 0.00 C ATOM 117 CG ARG A 9 -15.010 -3.858 2.263 1.00 0.00 C ATOM 118 CD ARG A 9 -14.132 -3.149 1.215 1.00 0.00 C ATOM 119 NE ARG A 9 -14.559 -3.585 -0.143 1.00 0.00 N ATOM 120 CZ ARG A 9 -14.111 -2.972 -1.204 1.00 0.00 C ATOM 121 NH1 ARG A 9 -13.289 -1.962 -1.077 1.00 0.00 N ATOM 122 NH2 ARG A 9 -14.481 -3.368 -2.391 1.00 0.00 N ATOM 0 H ARG A 9 -15.085 -0.736 2.369 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.207 -2.621 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.177 -2.447 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.183 -3.682 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.597 -4.842 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.010 -4.016 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.228 -2.068 1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.082 -3.391 1.376 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.205 -4.367 -0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.999 -1.654 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.938 -1.482 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.120 -4.157 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.131 -2.889 -3.221 1.00 0.00 H new ATOM 136 N GLY A 10 -16.316 -0.108 4.964 1.00 0.00 N ATOM 137 CA GLY A 10 -16.503 0.575 6.283 1.00 0.00 C ATOM 138 C GLY A 10 -15.207 0.522 7.089 1.00 0.00 C ATOM 139 O GLY A 10 -15.199 0.736 8.284 1.00 0.00 O ATOM 0 H GLY A 10 -16.061 0.503 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.801 1.612 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.307 0.094 6.840 1.00 0.00 H new ATOM 143 N ARG A 11 -14.108 0.249 6.442 1.00 0.00 N ATOM 144 CA ARG A 11 -12.807 0.196 7.163 1.00 0.00 C ATOM 145 C ARG A 11 -12.223 1.603 7.233 1.00 0.00 C ATOM 146 O ARG A 11 -12.281 2.360 6.284 1.00 0.00 O ATOM 147 CB ARG A 11 -11.839 -0.714 6.407 1.00 0.00 C ATOM 148 CG ARG A 11 -12.344 -2.164 6.454 1.00 0.00 C ATOM 149 CD ARG A 11 -11.209 -3.133 6.066 1.00 0.00 C ATOM 150 NE ARG A 11 -11.715 -4.154 5.096 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.821 -4.814 5.314 1.00 0.00 C ATOM 152 NH1 ARG A 11 -13.491 -4.647 6.417 1.00 0.00 N ATOM 153 NH2 ARG A 11 -13.246 -5.666 4.425 1.00 0.00 N ATOM 0 H ARG A 11 -14.056 0.060 5.441 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.960 -0.195 8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.748 -0.384 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.845 -0.651 6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.707 -2.399 7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.186 -2.286 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.382 -2.578 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.821 -3.627 6.957 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.184 -4.339 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.154 -3.994 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.353 -5.169 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.716 -5.814 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.109 -6.185 4.588 1.00 0.00 H new ATOM 167 N ILE A 12 -11.670 1.965 8.353 1.00 0.00 N ATOM 168 CA ILE A 12 -11.093 3.327 8.489 1.00 0.00 C ATOM 169 C ILE A 12 -9.684 3.355 7.898 1.00 0.00 C ATOM 170 O ILE A 12 -8.782 2.693 8.373 1.00 0.00 O ATOM 171 CB ILE A 12 -11.021 3.695 9.974 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.428 3.620 10.615 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.429 5.104 10.129 1.00 0.00 C ATOM 174 CD1 ILE A 12 -13.246 4.887 10.321 1.00 0.00 C ATOM 0 H ILE A 12 -11.593 1.375 9.182 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.722 4.040 7.957 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.375 2.984 10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.957 2.747 10.234 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.332 3.489 11.693 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.379 5.363 11.187 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.426 5.126 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.061 5.824 9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -14.228 4.802 10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.728 5.757 10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.363 5.003 9.243 1.00 0.00 H new ATOM 186 N LEU A 13 -9.480 4.133 6.870 1.00 0.00 N ATOM 187 CA LEU A 13 -8.118 4.221 6.259 1.00 0.00 C ATOM 188 C LEU A 13 -7.331 5.330 6.975 1.00 0.00 C ATOM 189 O LEU A 13 -7.892 6.315 7.412 1.00 0.00 O ATOM 190 CB LEU A 13 -8.233 4.573 4.770 1.00 0.00 C ATOM 191 CG LEU A 13 -9.326 3.731 4.103 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.203 3.865 2.585 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.164 2.259 4.496 1.00 0.00 C ATOM 0 H LEU A 13 -10.194 4.711 6.426 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.609 3.263 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.462 5.633 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.278 4.399 4.274 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.304 4.083 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.978 3.268 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.321 4.911 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.222 3.511 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.944 1.667 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.187 1.901 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.245 2.160 5.578 1.00 0.00 H new ATOM 205 N LYS A 14 -6.036 5.181 7.108 1.00 0.00 N ATOM 206 CA LYS A 14 -5.229 6.234 7.802 1.00 0.00 C ATOM 207 C LYS A 14 -4.731 7.264 6.782 1.00 0.00 C ATOM 208 O LYS A 14 -4.999 7.170 5.602 1.00 0.00 O ATOM 209 CB LYS A 14 -4.020 5.603 8.503 1.00 0.00 C ATOM 210 CG LYS A 14 -4.449 4.370 9.331 1.00 0.00 C ATOM 211 CD LYS A 14 -5.071 4.804 10.681 1.00 0.00 C ATOM 212 CE LYS A 14 -3.978 4.906 11.757 1.00 0.00 C ATOM 213 NZ LYS A 14 -3.450 3.539 12.060 1.00 0.00 N ATOM 0 H LYS A 14 -5.504 4.380 6.768 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.862 6.722 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.277 5.309 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.547 6.338 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.171 3.780 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.586 3.730 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.571 5.766 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.830 4.084 10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.171 5.551 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.384 5.360 12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.101 3.511 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.211 2.839 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.671 3.316 11.408 1.00 0.00 H new ATOM 227 N THR A 15 -4.004 8.246 7.241 1.00 0.00 N ATOM 228 CA THR A 15 -3.472 9.311 6.329 1.00 0.00 C ATOM 229 C THR A 15 -2.653 8.682 5.192 1.00 0.00 C ATOM 230 O THR A 15 -2.012 7.664 5.361 1.00 0.00 O ATOM 231 CB THR A 15 -2.589 10.266 7.146 1.00 0.00 C ATOM 232 OG1 THR A 15 -3.250 10.584 8.365 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.337 11.557 6.361 1.00 0.00 C ATOM 0 H THR A 15 -3.750 8.361 8.222 1.00 0.00 H new ATOM 0 HA THR A 15 -4.303 9.861 5.888 1.00 0.00 H new ATOM 0 HB THR A 15 -1.635 9.781 7.351 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.690 11.192 8.892 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.710 12.225 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.833 11.320 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.288 12.045 6.149 1.00 0.00 H new ATOM 241 N GLY A 16 -2.663 9.295 4.033 1.00 0.00 N ATOM 242 CA GLY A 16 -1.879 8.751 2.881 1.00 0.00 C ATOM 243 C GLY A 16 -2.750 7.815 2.038 1.00 0.00 C ATOM 244 O GLY A 16 -2.706 7.842 0.824 1.00 0.00 O ATOM 0 H GLY A 16 -3.182 10.151 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.511 9.571 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.006 8.213 3.249 1.00 0.00 H new ATOM 248 N GLU A 17 -3.541 6.985 2.662 1.00 0.00 N ATOM 249 CA GLU A 17 -4.404 6.053 1.882 1.00 0.00 C ATOM 250 C GLU A 17 -5.624 6.799 1.337 1.00 0.00 C ATOM 251 O GLU A 17 -6.010 7.835 1.839 1.00 0.00 O ATOM 252 CB GLU A 17 -4.871 4.914 2.790 1.00 0.00 C ATOM 253 CG GLU A 17 -3.700 3.977 3.077 1.00 0.00 C ATOM 254 CD GLU A 17 -4.174 2.824 3.963 1.00 0.00 C ATOM 255 OE1 GLU A 17 -5.229 2.956 4.562 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.471 1.829 4.028 1.00 0.00 O ATOM 0 H GLU A 17 -3.627 6.912 3.676 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.830 5.649 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.265 5.317 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.682 4.364 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.294 3.589 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.896 4.523 3.571 1.00 0.00 H new ATOM 263 N SER A 18 -6.233 6.273 0.308 1.00 0.00 N ATOM 264 CA SER A 18 -7.428 6.938 -0.274 1.00 0.00 C ATOM 265 C SER A 18 -8.240 5.899 -1.057 1.00 0.00 C ATOM 266 O SER A 18 -7.714 4.901 -1.509 1.00 0.00 O ATOM 267 CB SER A 18 -6.984 8.067 -1.204 1.00 0.00 C ATOM 268 OG SER A 18 -5.982 8.840 -0.555 1.00 0.00 O ATOM 0 H SER A 18 -5.951 5.408 -0.154 1.00 0.00 H new ATOM 0 HA SER A 18 -8.045 7.360 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.596 7.656 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.835 8.697 -1.463 1.00 0.00 H new ATOM 0 HG SER A 18 -6.145 8.841 0.411 1.00 0.00 H new ATOM 274 N GLN A 19 -9.521 6.120 -1.205 1.00 0.00 N ATOM 275 CA GLN A 19 -10.394 5.147 -1.939 1.00 0.00 C ATOM 276 C GLN A 19 -10.624 5.626 -3.379 1.00 0.00 C ATOM 277 O GLN A 19 -10.980 6.762 -3.621 1.00 0.00 O ATOM 278 CB GLN A 19 -11.734 5.053 -1.209 1.00 0.00 C ATOM 279 CG GLN A 19 -12.645 4.046 -1.914 1.00 0.00 C ATOM 280 CD GLN A 19 -13.913 3.857 -1.085 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.470 2.683 -1.018 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 -14.396 4.791 -0.478 1.00 0.00 N flip ATOM 0 H GLN A 19 -10.007 6.941 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.912 4.170 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.573 4.749 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.212 6.032 -1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.898 4.402 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.130 3.093 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.961 5.712 -0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.237 4.654 0.083 1.00 0.00 H new ATOM 291 N ARG A 20 -10.417 4.759 -4.337 1.00 0.00 N ATOM 292 CA ARG A 20 -10.610 5.150 -5.767 1.00 0.00 C ATOM 293 C ARG A 20 -12.082 5.048 -6.154 1.00 0.00 C ATOM 294 O ARG A 20 -12.891 4.493 -5.439 1.00 0.00 O ATOM 295 CB ARG A 20 -9.818 4.200 -6.670 1.00 0.00 C ATOM 296 CG ARG A 20 -8.296 4.340 -6.415 1.00 0.00 C ATOM 297 CD ARG A 20 -7.640 5.169 -7.529 1.00 0.00 C ATOM 298 NE ARG A 20 -8.361 6.461 -7.697 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.779 7.448 -8.323 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.573 7.296 -8.791 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.399 8.580 -8.477 1.00 0.00 N ATOM 0 H ARG A 20 -10.122 3.794 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.265 6.177 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.129 3.172 -6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.038 4.417 -7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.125 4.817 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.836 3.353 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.594 5.356 -7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.655 4.611 -8.465 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.304 6.574 -7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.086 6.408 -8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.115 8.065 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.343 8.699 -8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.942 9.349 -8.966 1.00 0.00 H new ATOM 315 N LYS A 21 -12.429 5.569 -7.298 1.00 0.00 N ATOM 316 CA LYS A 21 -13.842 5.492 -7.762 1.00 0.00 C ATOM 317 C LYS A 21 -14.182 4.032 -8.103 1.00 0.00 C ATOM 318 O LYS A 21 -15.327 3.627 -8.071 1.00 0.00 O ATOM 319 CB LYS A 21 -14.007 6.374 -9.016 1.00 0.00 C ATOM 320 CG LYS A 21 -15.469 6.335 -9.540 1.00 0.00 C ATOM 321 CD LYS A 21 -15.574 5.412 -10.765 1.00 0.00 C ATOM 322 CE LYS A 21 -17.040 5.291 -11.208 1.00 0.00 C ATOM 323 NZ LYS A 21 -17.417 6.470 -12.038 1.00 0.00 N ATOM 0 H LYS A 21 -11.791 6.047 -7.934 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.514 5.845 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.729 7.401 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.328 6.031 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.135 5.982 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.794 7.341 -9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.970 5.808 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.176 4.426 -10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.182 4.373 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.689 5.227 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.410 6.382 -12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.298 7.340 -11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.807 6.512 -12.879 1.00 0.00 H new ATOM 337 N ASP A 22 -13.192 3.244 -8.445 1.00 0.00 N ATOM 338 CA ASP A 22 -13.455 1.815 -8.810 1.00 0.00 C ATOM 339 C ASP A 22 -13.452 0.921 -7.561 1.00 0.00 C ATOM 340 O ASP A 22 -13.873 -0.216 -7.616 1.00 0.00 O ATOM 341 CB ASP A 22 -12.366 1.331 -9.776 1.00 0.00 C ATOM 342 CG ASP A 22 -12.562 1.988 -11.145 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.681 2.367 -11.447 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.587 2.098 -11.872 1.00 0.00 O ATOM 0 H ASP A 22 -12.213 3.528 -8.487 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.436 1.753 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.380 1.578 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.408 0.246 -9.873 1.00 0.00 H new ATOM 349 N GLY A 23 -12.988 1.418 -6.438 1.00 0.00 N ATOM 350 CA GLY A 23 -12.973 0.586 -5.185 1.00 0.00 C ATOM 351 C GLY A 23 -11.538 0.180 -4.842 1.00 0.00 C ATOM 352 O GLY A 23 -11.189 0.025 -3.690 1.00 0.00 O ATOM 0 H GLY A 23 -12.619 2.363 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.407 1.150 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.588 -0.303 -5.322 1.00 0.00 H new ATOM 356 N ARG A 24 -10.700 0.010 -5.825 1.00 0.00 N ATOM 357 CA ARG A 24 -9.288 -0.381 -5.531 1.00 0.00 C ATOM 358 C ARG A 24 -8.657 0.688 -4.637 1.00 0.00 C ATOM 359 O ARG A 24 -8.935 1.863 -4.770 1.00 0.00 O ATOM 360 CB ARG A 24 -8.480 -0.516 -6.837 1.00 0.00 C ATOM 361 CG ARG A 24 -9.022 0.434 -7.900 1.00 0.00 C ATOM 362 CD ARG A 24 -8.124 0.363 -9.131 1.00 0.00 C ATOM 363 NE ARG A 24 -8.302 -0.969 -9.766 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.832 -1.191 -10.958 1.00 0.00 C ATOM 365 NH1 ARG A 24 -7.153 -0.268 -11.570 1.00 0.00 N ATOM 366 NH2 ARG A 24 -8.033 -2.343 -11.536 1.00 0.00 N ATOM 0 H ARG A 24 -10.926 0.123 -6.813 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.279 -1.346 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.429 -0.297 -6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.531 -1.543 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.044 0.162 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.053 1.453 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.381 1.155 -9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.082 0.512 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.793 -1.710 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.989 0.630 -11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.784 -0.442 -12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.559 -3.071 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.664 -2.516 -12.471 1.00 0.00 H new ATOM 380 N TYR A 25 -7.819 0.288 -3.721 1.00 0.00 N ATOM 381 CA TYR A 25 -7.182 1.280 -2.814 1.00 0.00 C ATOM 382 C TYR A 25 -6.035 1.976 -3.533 1.00 0.00 C ATOM 383 O TYR A 25 -5.572 1.539 -4.569 1.00 0.00 O ATOM 384 CB TYR A 25 -6.627 0.578 -1.581 1.00 0.00 C ATOM 385 CG TYR A 25 -7.744 -0.094 -0.825 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.656 0.676 -0.095 1.00 0.00 C ATOM 387 CD2 TYR A 25 -7.865 -1.488 -0.847 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.690 0.051 0.610 1.00 0.00 C ATOM 389 CE2 TYR A 25 -8.898 -2.110 -0.143 1.00 0.00 C ATOM 390 CZ TYR A 25 -9.809 -1.343 0.586 1.00 0.00 C ATOM 391 OH TYR A 25 -10.825 -1.963 1.280 1.00 0.00 O ATOM 0 H TYR A 25 -7.549 -0.683 -3.562 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.934 2.011 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.882 -0.160 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.123 1.299 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.562 1.752 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.160 -2.083 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.396 0.644 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.992 -3.186 -0.162 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.332 -1.294 1.786 1.00 0.00 H new ATOM 401 N LEU A 26 -5.569 3.056 -2.984 1.00 0.00 N ATOM 402 CA LEU A 26 -4.449 3.801 -3.618 1.00 0.00 C ATOM 403 C LEU A 26 -3.630 4.477 -2.512 1.00 0.00 C ATOM 404 O LEU A 26 -4.141 5.263 -1.743 1.00 0.00 O ATOM 405 CB LEU A 26 -5.063 4.837 -4.581 1.00 0.00 C ATOM 406 CG LEU A 26 -3.991 5.743 -5.227 1.00 0.00 C ATOM 407 CD1 LEU A 26 -3.437 6.767 -4.213 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.852 4.882 -5.791 1.00 0.00 C ATOM 0 H LEU A 26 -5.918 3.460 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.786 3.144 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.617 4.319 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.779 5.455 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.458 6.299 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.685 7.389 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.250 7.396 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.984 6.239 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.099 5.526 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.398 4.306 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.249 4.201 -6.544 1.00 0.00 H new ATOM 420 N TYR A 27 -2.358 4.164 -2.425 1.00 0.00 N ATOM 421 CA TYR A 27 -1.481 4.770 -1.367 1.00 0.00 C ATOM 422 C TYR A 27 -0.205 5.316 -2.018 1.00 0.00 C ATOM 423 O TYR A 27 0.148 4.942 -3.119 1.00 0.00 O ATOM 424 CB TYR A 27 -1.102 3.691 -0.337 1.00 0.00 C ATOM 425 CG TYR A 27 -0.140 4.253 0.684 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.624 5.034 1.733 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.231 3.969 0.597 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.255 5.539 2.696 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.108 4.481 1.565 1.00 0.00 C ATOM 430 CZ TYR A 27 1.619 5.259 2.610 1.00 0.00 C ATOM 431 OH TYR A 27 2.486 5.759 3.558 1.00 0.00 O ATOM 0 H TYR A 27 -1.884 3.509 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.016 5.579 -0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.999 3.324 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.648 2.839 -0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.680 5.249 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.609 3.360 -0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.122 6.146 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.165 4.271 1.499 1.00 0.00 H new ATOM 0 HH TYR A 27 3.399 5.469 3.351 1.00 0.00 H new ATOM 441 N LYS A 28 0.484 6.198 -1.335 1.00 0.00 N ATOM 442 CA LYS A 28 1.750 6.790 -1.880 1.00 0.00 C ATOM 443 C LYS A 28 2.911 6.470 -0.936 1.00 0.00 C ATOM 444 O LYS A 28 2.818 6.657 0.262 1.00 0.00 O ATOM 445 CB LYS A 28 1.589 8.313 -1.988 1.00 0.00 C ATOM 446 CG LYS A 28 2.853 8.922 -2.602 1.00 0.00 C ATOM 447 CD LYS A 28 2.737 10.452 -2.649 1.00 0.00 C ATOM 448 CE LYS A 28 4.136 11.066 -2.820 1.00 0.00 C ATOM 449 NZ LYS A 28 4.022 12.367 -3.537 1.00 0.00 N ATOM 0 H LYS A 28 0.220 6.538 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 28 1.956 6.370 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.722 8.554 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.410 8.741 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.726 8.634 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.002 8.530 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.092 10.753 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.276 10.821 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.601 11.215 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.778 10.385 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.968 12.783 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.595 12.212 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.424 13.015 -2.987 1.00 0.00 H new ATOM 463 N TYR A 29 4.007 5.995 -1.473 1.00 0.00 N ATOM 464 CA TYR A 29 5.192 5.657 -0.625 1.00 0.00 C ATOM 465 C TYR A 29 6.468 6.187 -1.302 1.00 0.00 C ATOM 466 O TYR A 29 6.539 6.297 -2.509 1.00 0.00 O ATOM 467 CB TYR A 29 5.260 4.126 -0.457 1.00 0.00 C ATOM 468 CG TYR A 29 5.909 3.479 -1.659 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.143 3.177 -2.789 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.275 3.185 -1.637 1.00 0.00 C ATOM 471 CE1 TYR A 29 5.745 2.578 -3.899 1.00 0.00 C ATOM 472 CE2 TYR A 29 7.878 2.589 -2.744 1.00 0.00 C ATOM 473 CZ TYR A 29 7.113 2.283 -3.877 1.00 0.00 C ATOM 474 OH TYR A 29 7.709 1.693 -4.971 1.00 0.00 O ATOM 0 H TYR A 29 4.133 5.825 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 29 5.103 6.120 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.824 3.880 0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.255 3.726 -0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.088 3.406 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.864 3.419 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.155 2.343 -4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.934 2.363 -2.728 1.00 0.00 H new ATOM 0 HH TYR A 29 8.514 2.195 -5.216 1.00 0.00 H new ATOM 484 N ILE A 30 7.480 6.497 -0.529 1.00 0.00 N ATOM 485 CA ILE A 30 8.769 7.002 -1.107 1.00 0.00 C ATOM 486 C ILE A 30 9.737 5.824 -1.178 1.00 0.00 C ATOM 487 O ILE A 30 9.863 5.062 -0.241 1.00 0.00 O ATOM 488 CB ILE A 30 9.339 8.128 -0.214 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.686 9.468 -0.584 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.858 8.255 -0.398 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.164 9.324 -0.608 1.00 0.00 C ATOM 0 H ILE A 30 7.470 6.422 0.488 1.00 0.00 H new ATOM 0 HA ILE A 30 8.613 7.415 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 30 9.123 7.877 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.975 10.233 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.043 9.798 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.236 9.053 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.337 7.315 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.080 8.487 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.712 10.280 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.881 8.573 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.812 9.015 0.376 1.00 0.00 H new ATOM 503 N ASP A 31 10.408 5.654 -2.286 1.00 0.00 N ATOM 504 CA ASP A 31 11.346 4.507 -2.414 1.00 0.00 C ATOM 505 C ASP A 31 12.698 4.837 -1.777 1.00 0.00 C ATOM 506 O ASP A 31 12.954 5.945 -1.345 1.00 0.00 O ATOM 507 CB ASP A 31 11.527 4.165 -3.893 1.00 0.00 C ATOM 508 CG ASP A 31 12.146 5.345 -4.639 1.00 0.00 C ATOM 509 OD1 ASP A 31 12.707 6.212 -3.990 1.00 0.00 O ATOM 510 OD2 ASP A 31 12.038 5.365 -5.853 1.00 0.00 O ATOM 0 H ASP A 31 10.346 6.259 -3.105 1.00 0.00 H new ATOM 0 HA ASP A 31 10.928 3.647 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.165 3.287 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.563 3.912 -4.335 1.00 0.00 H new ATOM 515 N SER A 32 13.553 3.858 -1.706 1.00 0.00 N ATOM 516 CA SER A 32 14.894 4.047 -1.086 1.00 0.00 C ATOM 517 C SER A 32 15.708 5.112 -1.829 1.00 0.00 C ATOM 518 O SER A 32 16.854 5.345 -1.499 1.00 0.00 O ATOM 519 CB SER A 32 15.650 2.722 -1.135 1.00 0.00 C ATOM 520 OG SER A 32 14.880 1.719 -0.488 1.00 0.00 O ATOM 0 H SER A 32 13.377 2.917 -2.058 1.00 0.00 H new ATOM 0 HA SER A 32 14.755 4.378 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.843 2.438 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.619 2.825 -0.647 1.00 0.00 H new ATOM 0 HG SER A 32 14.582 1.058 -1.148 1.00 0.00 H new ATOM 526 N PHE A 33 15.150 5.756 -2.827 1.00 0.00 N ATOM 527 CA PHE A 33 15.926 6.797 -3.576 1.00 0.00 C ATOM 528 C PHE A 33 15.397 8.195 -3.201 1.00 0.00 C ATOM 529 O PHE A 33 16.109 9.176 -3.298 1.00 0.00 O ATOM 530 CB PHE A 33 15.791 6.541 -5.080 1.00 0.00 C ATOM 531 CG PHE A 33 16.106 5.085 -5.382 1.00 0.00 C ATOM 532 CD1 PHE A 33 17.363 4.549 -5.063 1.00 0.00 C ATOM 533 CD2 PHE A 33 15.138 4.270 -5.986 1.00 0.00 C ATOM 534 CE1 PHE A 33 17.642 3.208 -5.347 1.00 0.00 C ATOM 535 CE2 PHE A 33 15.419 2.929 -6.271 1.00 0.00 C ATOM 536 CZ PHE A 33 16.672 2.398 -5.953 1.00 0.00 C ATOM 0 H PHE A 33 14.196 5.607 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 33 16.982 6.746 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.780 6.780 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.469 7.192 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.114 5.171 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.170 4.680 -6.233 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.609 2.795 -5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.669 2.306 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.893 1.364 -6.174 1.00 0.00 H new ATOM 546 N GLY A 34 14.168 8.286 -2.729 1.00 0.00 N ATOM 547 CA GLY A 34 13.602 9.611 -2.295 1.00 0.00 C ATOM 548 C GLY A 34 12.555 10.117 -3.291 1.00 0.00 C ATOM 549 O GLY A 34 11.942 11.148 -3.085 1.00 0.00 O ATOM 0 H GLY A 34 13.532 7.496 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.151 9.511 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.406 10.341 -2.206 1.00 0.00 H new ATOM 553 N GLU A 35 12.334 9.408 -4.364 1.00 0.00 N ATOM 554 CA GLU A 35 11.313 9.860 -5.365 1.00 0.00 C ATOM 555 C GLU A 35 9.935 9.294 -4.976 1.00 0.00 C ATOM 556 O GLU A 35 9.855 8.267 -4.335 1.00 0.00 O ATOM 557 CB GLU A 35 11.733 9.364 -6.754 1.00 0.00 C ATOM 558 CG GLU A 35 11.940 7.856 -6.712 1.00 0.00 C ATOM 559 CD GLU A 35 12.237 7.346 -8.123 1.00 0.00 C ATOM 560 OE1 GLU A 35 11.800 7.985 -9.067 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.900 6.328 -8.238 1.00 0.00 O ATOM 0 H GLU A 35 12.812 8.537 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 35 11.248 10.948 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.969 9.617 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.652 9.860 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.764 7.609 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.050 7.366 -6.316 1.00 0.00 H new ATOM 568 N PRO A 36 8.856 9.960 -5.339 1.00 0.00 N ATOM 569 CA PRO A 36 7.471 9.497 -4.994 1.00 0.00 C ATOM 570 C PRO A 36 6.977 8.344 -5.881 1.00 0.00 C ATOM 571 O PRO A 36 7.296 8.260 -7.049 1.00 0.00 O ATOM 572 CB PRO A 36 6.627 10.749 -5.237 1.00 0.00 C ATOM 573 CG PRO A 36 7.322 11.454 -6.346 1.00 0.00 C ATOM 574 CD PRO A 36 8.817 11.228 -6.106 1.00 0.00 C ATOM 0 HA PRO A 36 7.419 9.101 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.604 10.491 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.572 11.371 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.016 11.058 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.082 12.517 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.366 11.147 -7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.262 12.050 -5.546 1.00 0.00 H new ATOM 582 N GLN A 37 6.173 7.477 -5.325 1.00 0.00 N ATOM 583 CA GLN A 37 5.610 6.334 -6.106 1.00 0.00 C ATOM 584 C GLN A 37 4.185 6.071 -5.612 1.00 0.00 C ATOM 585 O GLN A 37 3.780 6.570 -4.582 1.00 0.00 O ATOM 586 CB GLN A 37 6.476 5.075 -5.895 1.00 0.00 C ATOM 587 CG GLN A 37 7.594 4.999 -6.944 1.00 0.00 C ATOM 588 CD GLN A 37 8.652 6.064 -6.664 1.00 0.00 C ATOM 589 OE1 GLN A 37 9.223 6.618 -7.584 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.945 6.373 -5.432 1.00 0.00 N ATOM 0 H GLN A 37 5.878 7.512 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 37 5.602 6.575 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.910 5.090 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.851 4.184 -5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.051 4.009 -6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.178 5.143 -7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.465 5.908 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.654 7.080 -5.238 1.00 0.00 H new ATOM 599 N PHE A 38 3.420 5.295 -6.337 1.00 0.00 N ATOM 600 CA PHE A 38 2.017 5.001 -5.911 1.00 0.00 C ATOM 601 C PHE A 38 1.734 3.511 -6.078 1.00 0.00 C ATOM 602 O PHE A 38 2.348 2.837 -6.882 1.00 0.00 O ATOM 603 CB PHE A 38 1.044 5.809 -6.773 1.00 0.00 C ATOM 604 CG PHE A 38 1.241 7.286 -6.509 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.294 7.975 -7.128 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.372 7.963 -5.647 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.474 9.341 -6.884 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.551 9.331 -5.403 1.00 0.00 C ATOM 609 CZ PHE A 38 1.603 10.020 -6.022 1.00 0.00 C ATOM 0 H PHE A 38 3.707 4.851 -7.209 1.00 0.00 H new ATOM 0 HA PHE A 38 1.889 5.277 -4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.210 5.592 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.017 5.522 -6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.965 7.452 -7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.437 7.431 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.285 9.872 -7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.121 9.854 -4.739 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.742 11.074 -5.834 1.00 0.00 H new ATOM 619 N VAL A 39 0.813 2.988 -5.306 1.00 0.00 N ATOM 620 CA VAL A 39 0.475 1.536 -5.389 1.00 0.00 C ATOM 621 C VAL A 39 -1.047 1.377 -5.501 1.00 0.00 C ATOM 622 O VAL A 39 -1.805 2.242 -5.111 1.00 0.00 O ATOM 623 CB VAL A 39 0.982 0.841 -4.116 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.436 0.404 -4.303 1.00 0.00 C ATOM 625 CG2 VAL A 39 0.895 1.810 -2.932 1.00 0.00 C ATOM 0 H VAL A 39 0.276 3.512 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 39 0.945 1.087 -6.264 1.00 0.00 H new ATOM 0 HB VAL A 39 0.364 -0.035 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.788 -0.088 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.502 -0.290 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.055 1.278 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.255 1.315 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.509 2.688 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.141 2.117 -2.789 1.00 0.00 H new ATOM 635 N TYR A 40 -1.491 0.266 -6.027 1.00 0.00 N ATOM 636 CA TYR A 40 -2.957 0.018 -6.170 1.00 0.00 C ATOM 637 C TYR A 40 -3.265 -1.408 -5.717 1.00 0.00 C ATOM 638 O TYR A 40 -2.486 -2.316 -5.931 1.00 0.00 O ATOM 639 CB TYR A 40 -3.352 0.169 -7.639 1.00 0.00 C ATOM 640 CG TYR A 40 -3.228 1.615 -8.063 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.966 2.180 -8.294 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.380 2.389 -8.236 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.859 3.519 -8.696 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.275 3.725 -8.635 1.00 0.00 C ATOM 645 CZ TYR A 40 -3.012 4.292 -8.869 1.00 0.00 C ATOM 646 OH TYR A 40 -2.908 5.613 -9.266 1.00 0.00 O ATOM 0 H TYR A 40 -0.895 -0.488 -6.367 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.514 0.732 -5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.713 -0.457 -8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.376 -0.175 -7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.075 1.583 -8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.353 1.954 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.886 3.954 -8.872 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.166 4.321 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.804 6.004 -9.339 1.00 0.00 H new ATOM 656 N SER A 41 -4.397 -1.623 -5.107 1.00 0.00 N ATOM 657 CA SER A 41 -4.743 -3.003 -4.661 1.00 0.00 C ATOM 658 C SER A 41 -6.204 -3.051 -4.218 1.00 0.00 C ATOM 659 O SER A 41 -6.779 -2.059 -3.820 1.00 0.00 O ATOM 660 CB SER A 41 -3.857 -3.416 -3.485 1.00 0.00 C ATOM 661 OG SER A 41 -4.030 -4.810 -3.237 1.00 0.00 O ATOM 0 H SER A 41 -5.094 -0.908 -4.899 1.00 0.00 H new ATOM 0 HA SER A 41 -4.584 -3.687 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.812 -3.201 -3.708 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.119 -2.841 -2.597 1.00 0.00 H new ATOM 0 HG SER A 41 -3.335 -5.315 -3.709 1.00 0.00 H new ATOM 667 N TRP A 42 -6.805 -4.204 -4.278 1.00 0.00 N ATOM 668 CA TRP A 42 -8.225 -4.340 -3.858 1.00 0.00 C ATOM 669 C TRP A 42 -8.275 -4.776 -2.392 1.00 0.00 C ATOM 670 O TRP A 42 -9.330 -5.063 -1.857 1.00 0.00 O ATOM 671 CB TRP A 42 -8.892 -5.413 -4.709 1.00 0.00 C ATOM 672 CG TRP A 42 -8.969 -4.962 -6.128 1.00 0.00 C ATOM 673 CD1 TRP A 42 -8.051 -5.238 -7.074 1.00 0.00 C ATOM 674 CD2 TRP A 42 -10.003 -4.173 -6.780 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.454 -4.667 -8.264 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.647 -4.002 -8.137 1.00 0.00 C ATOM 677 CE3 TRP A 42 -11.198 -3.597 -6.333 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.449 -3.284 -9.021 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.011 -2.873 -7.219 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.638 -2.717 -8.562 1.00 0.00 C ATOM 0 H TRP A 42 -6.369 -5.067 -4.603 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.739 -3.387 -3.982 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.328 -6.343 -4.644 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.893 -5.620 -4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.148 -5.812 -6.926 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.927 -4.732 -9.135 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.496 -3.710 -5.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.153 -3.167 -10.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.931 -2.433 -6.864 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.269 -2.160 -9.238 1.00 0.00 H new ATOM 691 N LYS A 43 -7.134 -4.842 -1.744 1.00 0.00 N ATOM 692 CA LYS A 43 -7.090 -5.276 -0.308 1.00 0.00 C ATOM 693 C LYS A 43 -6.411 -4.207 0.544 1.00 0.00 C ATOM 694 O LYS A 43 -5.429 -3.607 0.149 1.00 0.00 O ATOM 695 CB LYS A 43 -6.286 -6.575 -0.187 1.00 0.00 C ATOM 696 CG LYS A 43 -6.967 -7.686 -1.004 1.00 0.00 C ATOM 697 CD LYS A 43 -6.589 -9.072 -0.457 1.00 0.00 C ATOM 698 CE LYS A 43 -5.124 -9.378 -0.776 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.767 -10.714 -0.224 1.00 0.00 N ATOM 0 H LYS A 43 -6.227 -4.613 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.112 -5.430 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.269 -6.419 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.213 -6.873 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.049 -7.559 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.670 -7.609 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.749 -9.103 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.233 -9.834 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.964 -9.363 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.479 -8.611 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.798 -10.686 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.428 -10.962 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.825 -11.428 -0.978 1.00 0.00 H new ATOM 713 N LEU A 44 -6.922 -3.976 1.722 1.00 0.00 N ATOM 714 CA LEU A 44 -6.313 -2.960 2.632 1.00 0.00 C ATOM 715 C LEU A 44 -5.378 -3.669 3.609 1.00 0.00 C ATOM 716 O LEU A 44 -4.277 -3.221 3.870 1.00 0.00 O ATOM 717 CB LEU A 44 -7.431 -2.248 3.408 1.00 0.00 C ATOM 718 CG LEU A 44 -6.848 -1.269 4.444 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.162 -0.097 3.735 1.00 0.00 C ATOM 720 CD2 LEU A 44 -7.988 -0.744 5.318 1.00 0.00 C ATOM 0 H LEU A 44 -7.743 -4.451 2.098 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.750 -2.227 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.073 -1.707 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.056 -2.986 3.911 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.111 -1.784 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.754 0.589 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.355 -0.474 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.889 0.429 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.589 -0.049 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.718 -0.230 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.470 -1.578 5.828 1.00 0.00 H new ATOM 732 N VAL A 45 -5.825 -4.768 4.162 1.00 0.00 N ATOM 733 CA VAL A 45 -4.998 -5.538 5.145 1.00 0.00 C ATOM 734 C VAL A 45 -4.826 -6.963 4.616 1.00 0.00 C ATOM 735 O VAL A 45 -5.319 -7.305 3.560 1.00 0.00 O ATOM 736 CB VAL A 45 -5.718 -5.568 6.503 1.00 0.00 C ATOM 737 CG1 VAL A 45 -4.769 -6.063 7.608 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.216 -4.156 6.853 1.00 0.00 C ATOM 0 H VAL A 45 -6.742 -5.172 3.972 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.023 -5.069 5.273 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.564 -6.252 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.297 -6.077 8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.425 -7.069 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.912 -5.394 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.726 -4.178 7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.367 -3.474 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.908 -3.813 6.084 1.00 0.00 H new ATOM 748 N ALA A 46 -4.114 -7.788 5.323 1.00 0.00 N ATOM 749 CA ALA A 46 -3.885 -9.184 4.844 1.00 0.00 C ATOM 750 C ALA A 46 -5.109 -10.062 5.109 1.00 0.00 C ATOM 751 O ALA A 46 -5.209 -11.162 4.600 1.00 0.00 O ATOM 752 CB ALA A 46 -2.672 -9.776 5.555 1.00 0.00 C ATOM 0 H ALA A 46 -3.677 -7.560 6.216 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.708 -9.153 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.506 -10.795 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.792 -9.170 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.850 -9.787 6.630 1.00 0.00 H new ATOM 758 N THR A 47 -6.035 -9.604 5.906 1.00 0.00 N ATOM 759 CA THR A 47 -7.241 -10.440 6.199 1.00 0.00 C ATOM 760 C THR A 47 -8.307 -10.215 5.122 1.00 0.00 C ATOM 761 O THR A 47 -9.282 -10.935 5.041 1.00 0.00 O ATOM 762 CB THR A 47 -7.810 -10.054 7.569 1.00 0.00 C ATOM 763 OG1 THR A 47 -9.144 -10.530 7.675 1.00 0.00 O ATOM 764 CG2 THR A 47 -7.792 -8.533 7.722 1.00 0.00 C ATOM 0 H THR A 47 -6.013 -8.694 6.366 1.00 0.00 H new ATOM 0 HA THR A 47 -6.954 -11.492 6.205 1.00 0.00 H new ATOM 0 HB THR A 47 -7.202 -10.500 8.356 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.405 -10.961 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.197 -8.261 8.697 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.767 -8.171 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.399 -8.081 6.938 1.00 0.00 H new ATOM 772 N ASP A 48 -8.126 -9.230 4.284 1.00 0.00 N ATOM 773 CA ASP A 48 -9.127 -8.979 3.206 1.00 0.00 C ATOM 774 C ASP A 48 -8.987 -10.039 2.111 1.00 0.00 C ATOM 775 O ASP A 48 -8.029 -10.785 2.065 1.00 0.00 O ATOM 776 CB ASP A 48 -8.897 -7.597 2.598 1.00 0.00 C ATOM 777 CG ASP A 48 -9.400 -6.518 3.560 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.545 -6.609 3.975 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.635 -5.617 3.861 1.00 0.00 O ATOM 0 H ASP A 48 -7.332 -8.590 4.298 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.128 -9.027 3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.836 -7.451 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.418 -7.518 1.644 1.00 0.00 H new ATOM 784 N ARG A 49 -9.940 -10.101 1.220 1.00 0.00 N ATOM 785 CA ARG A 49 -9.873 -11.098 0.113 1.00 0.00 C ATOM 786 C ARG A 49 -10.475 -10.476 -1.153 1.00 0.00 C ATOM 787 O ARG A 49 -11.494 -9.817 -1.109 1.00 0.00 O ATOM 788 CB ARG A 49 -10.625 -12.369 0.534 1.00 0.00 C ATOM 789 CG ARG A 49 -12.142 -12.205 0.305 1.00 0.00 C ATOM 790 CD ARG A 49 -12.525 -12.494 -1.173 1.00 0.00 C ATOM 791 NE ARG A 49 -13.578 -13.565 -1.231 1.00 0.00 N ATOM 792 CZ ARG A 49 -13.419 -14.707 -0.616 1.00 0.00 C ATOM 793 NH1 ARG A 49 -12.265 -15.016 -0.092 1.00 0.00 N ATOM 794 NH2 ARG A 49 -14.399 -15.562 -0.561 1.00 0.00 N ATOM 0 H ARG A 49 -10.765 -9.502 1.211 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.840 -11.373 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.256 -13.222 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.432 -12.581 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.686 -12.882 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.444 -11.192 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.894 -11.584 -1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.643 -12.809 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.433 -13.397 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.483 -14.365 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.145 -15.908 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.294 -15.341 -0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.272 -16.453 -0.080 1.00 0.00 H new ATOM 808 N VAL A 50 -9.833 -10.660 -2.272 1.00 0.00 N ATOM 809 CA VAL A 50 -10.336 -10.059 -3.536 1.00 0.00 C ATOM 810 C VAL A 50 -11.493 -10.895 -4.107 1.00 0.00 C ATOM 811 O VAL A 50 -11.525 -12.097 -3.951 1.00 0.00 O ATOM 812 CB VAL A 50 -9.191 -10.039 -4.546 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.011 -9.236 -3.989 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.748 -11.474 -4.836 1.00 0.00 C ATOM 0 H VAL A 50 -8.976 -11.205 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.698 -9.050 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.533 -9.568 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.200 -9.228 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.329 -8.213 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.663 -9.695 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.930 -11.464 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.411 -11.945 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.586 -12.038 -5.246 1.00 0.00 H new ATOM 824 N PRO A 51 -12.433 -10.272 -4.782 1.00 0.00 N ATOM 825 CA PRO A 51 -13.592 -10.995 -5.383 1.00 0.00 C ATOM 826 C PRO A 51 -13.160 -11.905 -6.536 1.00 0.00 C ATOM 827 O PRO A 51 -12.201 -11.631 -7.233 1.00 0.00 O ATOM 828 CB PRO A 51 -14.505 -9.868 -5.885 1.00 0.00 C ATOM 829 CG PRO A 51 -13.586 -8.717 -6.125 1.00 0.00 C ATOM 830 CD PRO A 51 -12.504 -8.822 -5.053 1.00 0.00 C ATOM 0 HA PRO A 51 -14.082 -11.655 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.025 -10.157 -6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.269 -9.619 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.153 -8.763 -7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.119 -7.769 -6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.549 -8.432 -5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.768 -8.258 -4.158 1.00 0.00 H new ATOM 838 N ALA A 52 -13.861 -12.984 -6.733 1.00 0.00 N ATOM 839 CA ALA A 52 -13.505 -13.923 -7.829 1.00 0.00 C ATOM 840 C ALA A 52 -13.222 -13.146 -9.117 1.00 0.00 C ATOM 841 O ALA A 52 -13.817 -12.122 -9.389 1.00 0.00 O ATOM 842 CB ALA A 52 -14.666 -14.892 -8.045 1.00 0.00 C ATOM 0 H ALA A 52 -14.671 -13.257 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.608 -14.479 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.416 -15.586 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.850 -15.450 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.562 -14.332 -8.315 1.00 0.00 H new ATOM 848 N GLY A 53 -12.305 -13.634 -9.910 1.00 0.00 N ATOM 849 CA GLY A 53 -11.953 -12.948 -11.188 1.00 0.00 C ATOM 850 C GLY A 53 -10.670 -12.138 -10.990 1.00 0.00 C ATOM 851 O GLY A 53 -9.853 -12.026 -11.883 1.00 0.00 O ATOM 0 H GLY A 53 -11.779 -14.488 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.815 -13.682 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.767 -12.292 -11.498 1.00 0.00 H new ATOM 855 N LYS A 54 -10.491 -11.565 -9.825 1.00 0.00 N ATOM 856 CA LYS A 54 -9.276 -10.750 -9.554 1.00 0.00 C ATOM 857 C LYS A 54 -8.220 -11.617 -8.858 1.00 0.00 C ATOM 858 O LYS A 54 -8.518 -12.361 -7.944 1.00 0.00 O ATOM 859 CB LYS A 54 -9.682 -9.585 -8.651 1.00 0.00 C ATOM 860 CG LYS A 54 -10.840 -8.810 -9.301 1.00 0.00 C ATOM 861 CD LYS A 54 -10.388 -8.220 -10.646 1.00 0.00 C ATOM 862 CE LYS A 54 -11.290 -7.045 -11.037 1.00 0.00 C ATOM 863 NZ LYS A 54 -10.985 -5.870 -10.171 1.00 0.00 N ATOM 0 H LYS A 54 -11.145 -11.631 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.852 -10.371 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.984 -9.958 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.832 -8.922 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.692 -9.473 -9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.172 -8.012 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.353 -7.886 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.423 -8.988 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.135 -6.787 -12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.338 -7.326 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.089 -4.995 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.644 -5.851 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.010 -5.943 -9.818 1.00 0.00 H new ATOM 877 N ARG A 55 -6.985 -11.523 -9.290 1.00 0.00 N ATOM 878 CA ARG A 55 -5.901 -12.338 -8.666 1.00 0.00 C ATOM 879 C ARG A 55 -5.571 -11.775 -7.288 1.00 0.00 C ATOM 880 O ARG A 55 -5.742 -10.602 -7.026 1.00 0.00 O ATOM 881 CB ARG A 55 -4.640 -12.287 -9.535 1.00 0.00 C ATOM 882 CG ARG A 55 -4.863 -13.063 -10.841 1.00 0.00 C ATOM 883 CD ARG A 55 -4.899 -14.579 -10.579 1.00 0.00 C ATOM 884 NE ARG A 55 -4.515 -15.302 -11.824 1.00 0.00 N ATOM 885 CZ ARG A 55 -4.175 -16.561 -11.774 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.218 -17.206 -10.642 1.00 0.00 N ATOM 887 NH2 ARG A 55 -3.806 -17.178 -12.863 1.00 0.00 N ATOM 0 H ARG A 55 -6.683 -10.914 -10.051 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.242 -13.370 -8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.385 -11.251 -9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.797 -12.712 -8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.799 -12.747 -11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.066 -12.831 -11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.216 -14.836 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.897 -14.882 -10.262 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.518 -14.811 -12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.518 -16.727 -9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.952 -18.190 -10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.784 -16.676 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.540 -18.162 -12.826 1.00 0.00 H new ATOM 901 N ASP A 56 -5.095 -12.612 -6.410 1.00 0.00 N ATOM 902 CA ASP A 56 -4.745 -12.153 -5.039 1.00 0.00 C ATOM 903 C ASP A 56 -3.640 -11.099 -5.122 1.00 0.00 C ATOM 904 O ASP A 56 -3.011 -10.925 -6.146 1.00 0.00 O ATOM 905 CB ASP A 56 -4.258 -13.350 -4.217 1.00 0.00 C ATOM 906 CG ASP A 56 -4.242 -12.978 -2.733 1.00 0.00 C ATOM 907 OD1 ASP A 56 -4.662 -11.878 -2.414 1.00 0.00 O ATOM 908 OD2 ASP A 56 -3.816 -13.801 -1.939 1.00 0.00 O ATOM 0 H ASP A 56 -4.932 -13.603 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.622 -11.716 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.911 -14.207 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.259 -13.644 -4.540 1.00 0.00 H new ATOM 913 N CYS A 57 -3.403 -10.393 -4.050 1.00 0.00 N ATOM 914 CA CYS A 57 -2.343 -9.346 -4.062 1.00 0.00 C ATOM 915 C CYS A 57 -1.915 -9.049 -2.621 1.00 0.00 C ATOM 916 O CYS A 57 -2.623 -9.352 -1.681 1.00 0.00 O ATOM 917 CB CYS A 57 -2.893 -8.074 -4.712 1.00 0.00 C ATOM 918 SG CYS A 57 -1.562 -6.860 -4.884 1.00 0.00 S ATOM 0 H CYS A 57 -3.899 -10.497 -3.165 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.482 -9.696 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.316 -8.306 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.699 -7.662 -4.105 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.028 -5.780 -5.438 1.00 0.00 H new ATOM 924 N ILE A 58 -0.764 -8.462 -2.432 1.00 0.00 N ATOM 925 CA ILE A 58 -0.307 -8.160 -1.045 1.00 0.00 C ATOM 926 C ILE A 58 -0.982 -6.877 -0.557 1.00 0.00 C ATOM 927 O ILE A 58 -1.129 -5.916 -1.289 1.00 0.00 O ATOM 928 CB ILE A 58 1.212 -8.007 -1.034 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.848 -9.334 -1.465 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.679 -7.656 0.380 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.323 -9.109 -1.796 1.00 0.00 C ATOM 0 H ILE A 58 -0.123 -8.180 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.581 -8.976 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 58 1.508 -7.213 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.752 -10.071 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.326 -9.734 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.763 -7.547 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.217 -6.720 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.389 -8.451 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.775 -10.052 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.408 -8.386 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.840 -8.728 -0.915 1.00 0.00 H new ATOM 943 N SER A 59 -1.421 -6.875 0.672 1.00 0.00 N ATOM 944 CA SER A 59 -2.119 -5.681 1.226 1.00 0.00 C ATOM 945 C SER A 59 -1.187 -4.468 1.276 1.00 0.00 C ATOM 946 O SER A 59 0.021 -4.590 1.326 1.00 0.00 O ATOM 947 CB SER A 59 -2.610 -6.008 2.631 1.00 0.00 C ATOM 948 OG SER A 59 -1.492 -6.195 3.492 1.00 0.00 O ATOM 0 H SER A 59 -1.325 -7.656 1.321 1.00 0.00 H new ATOM 0 HA SER A 59 -2.959 -5.432 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.240 -5.201 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.224 -6.909 2.613 1.00 0.00 H new ATOM 0 HG SER A 59 -1.807 -6.404 4.396 1.00 0.00 H new ATOM 954 N LEU A 60 -1.757 -3.291 1.272 1.00 0.00 N ATOM 955 CA LEU A 60 -0.943 -2.045 1.326 1.00 0.00 C ATOM 956 C LEU A 60 -0.043 -2.066 2.563 1.00 0.00 C ATOM 957 O LEU A 60 1.159 -1.920 2.468 1.00 0.00 O ATOM 958 CB LEU A 60 -1.907 -0.838 1.399 1.00 0.00 C ATOM 959 CG LEU A 60 -2.201 -0.272 0.000 1.00 0.00 C ATOM 960 CD1 LEU A 60 -2.758 -1.369 -0.919 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.231 0.863 0.122 1.00 0.00 C ATOM 0 H LEU A 60 -2.765 -3.141 1.233 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.314 -1.969 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.840 -1.143 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.471 -0.059 2.024 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.274 0.107 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.960 -0.950 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.028 -2.173 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.682 -1.764 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.444 1.269 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.150 0.475 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.830 1.651 0.759 1.00 0.00 H new ATOM 973 N ARG A 61 -0.607 -2.234 3.723 1.00 0.00 N ATOM 974 CA ARG A 61 0.235 -2.237 4.952 1.00 0.00 C ATOM 975 C ARG A 61 1.425 -3.182 4.747 1.00 0.00 C ATOM 976 O ARG A 61 2.560 -2.833 5.011 1.00 0.00 O ATOM 977 CB ARG A 61 -0.599 -2.705 6.151 1.00 0.00 C ATOM 978 CG ARG A 61 -1.969 -2.013 6.145 1.00 0.00 C ATOM 979 CD ARG A 61 -1.801 -0.492 6.005 1.00 0.00 C ATOM 980 NE ARG A 61 -3.100 0.187 6.281 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.120 1.455 6.584 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.007 2.129 6.640 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.255 2.051 6.822 1.00 0.00 N ATOM 0 H ARG A 61 -1.607 -2.369 3.875 1.00 0.00 H new ATOM 0 HA ARG A 61 0.600 -1.228 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.729 -3.787 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.074 -2.480 7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.573 -2.396 5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.504 -2.243 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.039 -0.136 6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.458 -0.246 5.000 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.972 -0.340 6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.119 1.665 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.023 3.121 6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.128 1.525 6.771 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.270 3.043 7.059 1.00 0.00 H new ATOM 997 N GLU A 62 1.177 -4.370 4.267 1.00 0.00 N ATOM 998 CA GLU A 62 2.292 -5.334 4.035 1.00 0.00 C ATOM 999 C GLU A 62 3.132 -4.895 2.828 1.00 0.00 C ATOM 1000 O GLU A 62 4.343 -5.013 2.833 1.00 0.00 O ATOM 1001 CB GLU A 62 1.710 -6.729 3.773 1.00 0.00 C ATOM 1002 CG GLU A 62 1.149 -7.302 5.073 1.00 0.00 C ATOM 1003 CD GLU A 62 0.731 -8.755 4.852 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.479 -9.114 3.713 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.657 -9.481 5.828 1.00 0.00 O ATOM 0 H GLU A 62 0.249 -4.716 4.025 1.00 0.00 H new ATOM 0 HA GLU A 62 2.930 -5.359 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.924 -6.671 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.483 -7.388 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.899 -7.244 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.294 -6.713 5.403 1.00 0.00 H new ATOM 1012 N LYS A 63 2.506 -4.405 1.788 1.00 0.00 N ATOM 1013 CA LYS A 63 3.282 -3.985 0.579 1.00 0.00 C ATOM 1014 C LYS A 63 4.137 -2.747 0.903 1.00 0.00 C ATOM 1015 O LYS A 63 5.243 -2.598 0.420 1.00 0.00 O ATOM 1016 CB LYS A 63 2.313 -3.658 -0.572 1.00 0.00 C ATOM 1017 CG LYS A 63 3.054 -3.774 -1.907 1.00 0.00 C ATOM 1018 CD LYS A 63 2.157 -3.280 -3.052 1.00 0.00 C ATOM 1019 CE LYS A 63 0.921 -4.181 -3.190 1.00 0.00 C ATOM 1020 NZ LYS A 63 -0.132 -3.726 -2.241 1.00 0.00 N ATOM 0 H LYS A 63 1.496 -4.278 1.722 1.00 0.00 H new ATOM 0 HA LYS A 63 3.939 -4.801 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.464 -4.342 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.913 -2.651 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.972 -3.187 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.344 -4.810 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.847 -2.253 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.718 -3.276 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.544 -4.146 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.188 -5.217 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.362 -4.497 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.214 -2.904 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.986 -3.459 -2.772 1.00 0.00 H new ATOM 1034 N ILE A 64 3.625 -1.853 1.701 1.00 0.00 N ATOM 1035 CA ILE A 64 4.390 -0.616 2.048 1.00 0.00 C ATOM 1036 C ILE A 64 5.718 -0.973 2.743 1.00 0.00 C ATOM 1037 O ILE A 64 6.762 -0.473 2.375 1.00 0.00 O ATOM 1038 CB ILE A 64 3.501 0.272 2.972 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.688 1.304 2.146 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.344 1.016 4.021 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.415 0.667 1.593 1.00 0.00 C ATOM 0 H ILE A 64 2.703 -1.924 2.132 1.00 0.00 H new ATOM 0 HA ILE A 64 4.636 -0.067 1.139 1.00 0.00 H new ATOM 0 HB ILE A 64 2.812 -0.400 3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.431 2.158 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.298 1.683 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.692 1.625 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.872 0.293 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.067 1.658 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.859 1.406 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.678 -0.172 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.798 0.311 2.418 1.00 0.00 H new ATOM 1053 N ALA A 65 5.691 -1.793 3.754 1.00 0.00 N ATOM 1054 CA ALA A 65 6.964 -2.120 4.464 1.00 0.00 C ATOM 1055 C ALA A 65 7.994 -2.696 3.480 1.00 0.00 C ATOM 1056 O ALA A 65 9.161 -2.325 3.486 1.00 0.00 O ATOM 1057 CB ALA A 65 6.682 -3.146 5.568 1.00 0.00 C ATOM 0 H ALA A 65 4.854 -2.248 4.119 1.00 0.00 H new ATOM 0 HA ALA A 65 7.369 -1.207 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.610 -3.386 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.966 -2.730 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.269 -4.052 5.125 1.00 0.00 H new ATOM 1063 N GLU A 66 7.582 -3.610 2.649 1.00 0.00 N ATOM 1064 CA GLU A 66 8.542 -4.226 1.687 1.00 0.00 C ATOM 1065 C GLU A 66 8.944 -3.242 0.578 1.00 0.00 C ATOM 1066 O GLU A 66 10.088 -3.184 0.200 1.00 0.00 O ATOM 1067 CB GLU A 66 7.911 -5.471 1.057 1.00 0.00 C ATOM 1068 CG GLU A 66 7.851 -6.598 2.091 1.00 0.00 C ATOM 1069 CD GLU A 66 6.947 -7.717 1.576 1.00 0.00 C ATOM 1070 OE1 GLU A 66 5.773 -7.456 1.374 1.00 0.00 O ATOM 1071 OE2 GLU A 66 7.444 -8.816 1.396 1.00 0.00 O ATOM 0 H GLU A 66 6.625 -3.958 2.592 1.00 0.00 H new ATOM 0 HA GLU A 66 9.441 -4.498 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.908 -5.240 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.494 -5.788 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.852 -6.984 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.471 -6.216 3.039 1.00 0.00 H new ATOM 1078 N LEU A 67 8.039 -2.476 0.032 1.00 0.00 N ATOM 1079 CA LEU A 67 8.449 -1.544 -1.069 1.00 0.00 C ATOM 1080 C LEU A 67 9.437 -0.484 -0.554 1.00 0.00 C ATOM 1081 O LEU A 67 10.165 0.109 -1.322 1.00 0.00 O ATOM 1082 CB LEU A 67 7.209 -0.850 -1.661 1.00 0.00 C ATOM 1083 CG LEU A 67 6.496 -1.779 -2.658 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.181 -1.122 -3.083 1.00 0.00 C ATOM 1085 CD2 LEU A 67 7.385 -2.031 -3.902 1.00 0.00 C ATOM 0 H LEU A 67 7.053 -2.450 0.290 1.00 0.00 H new ATOM 0 HA LEU A 67 8.943 -2.131 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.524 -0.572 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.505 0.072 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 67 6.300 -2.739 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.663 -1.769 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.552 -0.966 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.390 -0.162 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.863 -2.690 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.599 -1.082 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.320 -2.498 -3.592 1.00 0.00 H new ATOM 1097 N GLN A 68 9.466 -0.230 0.721 1.00 0.00 N ATOM 1098 CA GLN A 68 10.402 0.806 1.248 1.00 0.00 C ATOM 1099 C GLN A 68 11.833 0.260 1.361 1.00 0.00 C ATOM 1100 O GLN A 68 12.718 0.652 0.624 1.00 0.00 O ATOM 1101 CB GLN A 68 9.936 1.264 2.634 1.00 0.00 C ATOM 1102 CG GLN A 68 8.699 2.152 2.501 1.00 0.00 C ATOM 1103 CD GLN A 68 8.294 2.673 3.885 1.00 0.00 C ATOM 1104 OE1 GLN A 68 8.802 2.217 4.892 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.402 3.621 3.981 1.00 0.00 N ATOM 0 H GLN A 68 8.886 -0.691 1.422 1.00 0.00 H new ATOM 0 HA GLN A 68 10.401 1.644 0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.707 0.398 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.735 1.812 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.908 2.987 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.878 1.587 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.974 4.006 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.133 3.977 4.898 1.00 0.00 H new ATOM 1114 N LYS A 69 12.079 -0.598 2.317 1.00 0.00 N ATOM 1115 CA LYS A 69 13.473 -1.118 2.521 1.00 0.00 C ATOM 1116 C LYS A 69 13.880 -2.185 1.494 1.00 0.00 C ATOM 1117 O LYS A 69 14.995 -2.663 1.526 1.00 0.00 O ATOM 1118 CB LYS A 69 13.574 -1.733 3.918 1.00 0.00 C ATOM 1119 CG LYS A 69 12.516 -2.829 4.072 1.00 0.00 C ATOM 1120 CD LYS A 69 12.648 -3.493 5.449 1.00 0.00 C ATOM 1121 CE LYS A 69 12.064 -2.585 6.539 1.00 0.00 C ATOM 1122 NZ LYS A 69 11.868 -3.377 7.788 1.00 0.00 N ATOM 0 H LYS A 69 11.381 -0.963 2.965 1.00 0.00 H new ATOM 0 HA LYS A 69 14.147 -0.271 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.569 -2.150 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.429 -0.964 4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.519 -2.403 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.635 -3.575 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.129 -4.452 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.697 -3.699 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.735 -1.747 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.114 -2.165 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.472 -2.764 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.213 -4.163 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.783 -3.757 8.105 1.00 0.00 H new ATOM 1136 N ASP A 70 13.008 -2.608 0.616 1.00 0.00 N ATOM 1137 CA ASP A 70 13.410 -3.693 -0.347 1.00 0.00 C ATOM 1138 C ASP A 70 13.928 -3.139 -1.669 1.00 0.00 C ATOM 1139 O ASP A 70 14.942 -3.578 -2.174 1.00 0.00 O ATOM 1140 CB ASP A 70 12.206 -4.575 -0.661 1.00 0.00 C ATOM 1141 CG ASP A 70 12.679 -5.867 -1.332 1.00 0.00 C ATOM 1142 OD1 ASP A 70 13.880 -6.047 -1.446 1.00 0.00 O ATOM 1143 OD2 ASP A 70 11.831 -6.654 -1.720 1.00 0.00 O ATOM 0 H ASP A 70 12.053 -2.262 0.519 1.00 0.00 H new ATOM 0 HA ASP A 70 14.208 -4.257 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.663 -4.807 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.515 -4.045 -1.316 1.00 0.00 H new ATOM 1148 N ILE A 71 13.226 -2.226 -2.273 1.00 0.00 N ATOM 1149 CA ILE A 71 13.684 -1.728 -3.595 1.00 0.00 C ATOM 1150 C ILE A 71 14.780 -0.689 -3.414 1.00 0.00 C ATOM 1151 O ILE A 71 14.558 0.445 -3.036 1.00 0.00 O ATOM 1152 CB ILE A 71 12.472 -1.185 -4.369 1.00 0.00 C ATOM 1153 CG1 ILE A 71 12.112 0.246 -3.920 1.00 0.00 C ATOM 1154 CG2 ILE A 71 11.289 -2.124 -4.093 1.00 0.00 C ATOM 1155 CD1 ILE A 71 10.690 0.599 -4.379 1.00 0.00 C ATOM 0 H ILE A 71 12.367 -1.808 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 71 14.119 -2.539 -4.180 1.00 0.00 H new ATOM 0 HB ILE A 71 12.707 -1.145 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.183 0.324 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.825 0.957 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 71 10.409 -1.768 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 71 11.537 -3.130 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.080 -2.142 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.445 1.611 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.633 0.540 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.981 -0.103 -3.940 1.00 0.00 H new ATOM 1167 N HIS A 72 15.988 -1.101 -3.667 1.00 0.00 N ATOM 1168 CA HIS A 72 17.144 -0.180 -3.519 1.00 0.00 C ATOM 1169 C HIS A 72 18.328 -0.718 -4.349 1.00 0.00 C ATOM 1170 O HIS A 72 18.625 -1.896 -4.326 1.00 0.00 O ATOM 1171 CB HIS A 72 17.481 -0.066 -2.016 1.00 0.00 C ATOM 1172 CG HIS A 72 18.605 -0.985 -1.625 1.00 0.00 C ATOM 1173 ND1 HIS A 72 18.418 -2.340 -1.408 1.00 0.00 N ATOM 1174 CD2 HIS A 72 19.930 -0.739 -1.383 1.00 0.00 C ATOM 1175 CE1 HIS A 72 19.609 -2.858 -1.049 1.00 0.00 C ATOM 1176 NE2 HIS A 72 20.566 -1.922 -1.017 1.00 0.00 N ATOM 0 H HIS A 72 16.225 -2.045 -3.973 1.00 0.00 H new ATOM 0 HA HIS A 72 16.913 0.817 -3.893 1.00 0.00 H new ATOM 0 HB2 HIS A 72 17.754 0.963 -1.782 1.00 0.00 H new ATOM 0 HB3 HIS A 72 16.596 -0.303 -1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 72 20.409 0.226 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 72 19.772 -3.900 -0.816 1.00 0.00 H new ATOM 0 HE2 HIS A 72 21.549 -2.049 -0.776 1.00 0.00 H new ATOM 1184 N ASP A 73 19.004 0.131 -5.080 1.00 0.00 N ATOM 1185 CA ASP A 73 20.162 -0.340 -5.904 1.00 0.00 C ATOM 1186 C ASP A 73 19.758 -1.589 -6.693 1.00 0.00 C ATOM 1187 O ASP A 73 20.432 -2.601 -6.667 1.00 0.00 O ATOM 1188 CB ASP A 73 21.339 -0.677 -4.981 1.00 0.00 C ATOM 1189 CG ASP A 73 22.581 -1.003 -5.815 1.00 0.00 C ATOM 1190 OD1 ASP A 73 22.479 -0.988 -7.030 1.00 0.00 O ATOM 1191 OD2 ASP A 73 23.615 -1.257 -5.219 1.00 0.00 O ATOM 0 H ASP A 73 18.806 1.130 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 73 20.456 0.446 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.546 0.164 -4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.083 -1.526 -4.347 1.00 0.00 H new TER 1196 ASP A 73