USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 684 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 26 SER OG : rot -123:sc= 0.0394 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.0367 USER MOD Set 2.1: A 14 SER OG : rot 140:sc= -0.122 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.275 X(o=-0.4,f=-0.12) USER MOD Set 3.1: A 13 SER OG : rot 160:sc= -0.162 USER MOD Set 3.2: A 83 HIS : no HD1:sc= 0 K(o=-0.16,f=-0.89) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0672 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.205 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.312 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.531 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 5:sc= 0.67 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.111 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -1.63 USER MOD Single : A 49 MET CE :methyl 173:sc= -4.76 (180deg=-5.09!) USER MOD Single : A 54 TYR OH : rot -43:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.109 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.01) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 59:sc= -0.777 USER MOD Single : A 80 CYS SG : rot -88:sc= 0.658 USER MOD Single : A 87 HIS : no HD1:sc= -0.81 X(o=-0.81,f=-0.65) USER MOD Single : A 88 SER OG : rot 100:sc= -0.558 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.966 -21.126 12.049 1.00 0.00 N ATOM 2 CA GLY A 1 -6.153 -19.687 11.986 1.00 0.00 C ATOM 3 C GLY A 1 -7.578 -19.301 12.386 1.00 0.00 C ATOM 4 O GLY A 1 -8.269 -20.069 13.053 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.987 -21.337 12.329 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.621 -21.531 12.748 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.156 -21.542 11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.440 -19.195 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.947 -19.334 10.976 1.00 0.00 H new ATOM 8 N SER A 2 -7.976 -18.110 11.962 1.00 0.00 N ATOM 9 CA SER A 2 -9.307 -17.613 12.268 1.00 0.00 C ATOM 10 C SER A 2 -9.616 -16.384 11.410 1.00 0.00 C ATOM 11 O SER A 2 -10.595 -16.373 10.665 1.00 0.00 O ATOM 12 CB SER A 2 -9.439 -17.270 13.753 1.00 0.00 C ATOM 13 OG SER A 2 -10.797 -17.082 14.139 1.00 0.00 O ATOM 0 H SER A 2 -7.400 -17.475 11.409 1.00 0.00 H new ATOM 0 HA SER A 2 -10.027 -18.399 12.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.000 -18.069 14.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.872 -16.364 13.967 1.00 0.00 H new ATOM 0 HG SER A 2 -10.839 -16.866 15.094 1.00 0.00 H new ATOM 19 N SER A 3 -8.763 -15.379 11.544 1.00 0.00 N ATOM 20 CA SER A 3 -8.933 -14.148 10.791 1.00 0.00 C ATOM 21 C SER A 3 -7.945 -14.108 9.624 1.00 0.00 C ATOM 22 O SER A 3 -8.350 -14.043 8.464 1.00 0.00 O ATOM 23 CB SER A 3 -8.746 -12.923 11.688 1.00 0.00 C ATOM 24 OG SER A 3 -9.874 -12.699 12.529 1.00 0.00 O ATOM 0 H SER A 3 -7.952 -15.392 12.163 1.00 0.00 H new ATOM 0 HA SER A 3 -9.950 -14.125 10.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.856 -13.057 12.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.576 -12.043 11.068 1.00 0.00 H new ATOM 0 HG SER A 3 -9.714 -11.909 13.087 1.00 0.00 H new ATOM 30 N GLY A 4 -6.667 -14.149 9.971 1.00 0.00 N ATOM 31 CA GLY A 4 -5.617 -14.118 8.966 1.00 0.00 C ATOM 32 C GLY A 4 -4.333 -14.761 9.495 1.00 0.00 C ATOM 33 O GLY A 4 -4.244 -15.983 9.602 1.00 0.00 O ATOM 0 H GLY A 4 -6.334 -14.203 10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.949 -14.644 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.418 -13.087 8.674 1.00 0.00 H new ATOM 37 N SER A 5 -3.370 -13.908 9.813 1.00 0.00 N ATOM 38 CA SER A 5 -2.095 -14.377 10.328 1.00 0.00 C ATOM 39 C SER A 5 -1.323 -13.213 10.953 1.00 0.00 C ATOM 40 O SER A 5 -1.130 -13.173 12.168 1.00 0.00 O ATOM 41 CB SER A 5 -1.263 -15.033 9.224 1.00 0.00 C ATOM 42 OG SER A 5 -0.231 -15.860 9.755 1.00 0.00 O ATOM 0 H SER A 5 -3.447 -12.895 9.724 1.00 0.00 H new ATOM 0 HA SER A 5 -2.291 -15.128 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.914 -15.630 8.585 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.821 -14.260 8.595 1.00 0.00 H new ATOM 0 HG SER A 5 0.277 -16.262 9.020 1.00 0.00 H new ATOM 48 N SER A 6 -0.903 -12.295 10.096 1.00 0.00 N ATOM 49 CA SER A 6 -0.156 -11.134 10.549 1.00 0.00 C ATOM 50 C SER A 6 0.046 -10.156 9.390 1.00 0.00 C ATOM 51 O SER A 6 -0.240 -10.484 8.239 1.00 0.00 O ATOM 52 CB SER A 6 1.194 -11.543 11.140 1.00 0.00 C ATOM 53 OG SER A 6 1.891 -10.433 11.698 1.00 0.00 O ATOM 0 H SER A 6 -1.066 -12.331 9.090 1.00 0.00 H new ATOM 0 HA SER A 6 -0.731 -10.643 11.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.038 -12.298 11.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.806 -12.002 10.363 1.00 0.00 H new ATOM 0 HG SER A 6 2.747 -10.736 12.066 1.00 0.00 H new ATOM 59 N GLY A 7 0.538 -8.974 9.733 1.00 0.00 N ATOM 60 CA GLY A 7 0.781 -7.947 8.735 1.00 0.00 C ATOM 61 C GLY A 7 1.168 -6.622 9.395 1.00 0.00 C ATOM 62 O GLY A 7 1.662 -6.606 10.521 1.00 0.00 O ATOM 0 H GLY A 7 0.775 -8.705 10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.577 -8.269 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.113 -7.807 8.127 1.00 0.00 H new ATOM 66 N VAL A 8 0.928 -5.542 8.666 1.00 0.00 N ATOM 67 CA VAL A 8 1.244 -4.215 9.167 1.00 0.00 C ATOM 68 C VAL A 8 0.141 -3.241 8.750 1.00 0.00 C ATOM 69 O VAL A 8 -0.224 -3.175 7.577 1.00 0.00 O ATOM 70 CB VAL A 8 2.632 -3.790 8.681 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.701 -4.114 9.727 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.965 -4.439 7.337 1.00 0.00 C ATOM 0 H VAL A 8 0.518 -5.559 7.732 1.00 0.00 H new ATOM 0 HA VAL A 8 1.281 -4.217 10.256 1.00 0.00 H new ATOM 0 HB VAL A 8 2.621 -2.710 8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.678 -3.802 9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.477 -3.584 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.711 -5.187 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.956 -4.120 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.949 -5.524 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.227 -4.136 6.594 1.00 0.00 H new ATOM 82 N MET A 9 -0.360 -2.508 9.734 1.00 0.00 N ATOM 83 CA MET A 9 -1.415 -1.540 9.484 1.00 0.00 C ATOM 84 C MET A 9 -0.839 -0.229 8.946 1.00 0.00 C ATOM 85 O MET A 9 -0.107 0.466 9.648 1.00 0.00 O ATOM 86 CB MET A 9 -2.177 -1.269 10.782 1.00 0.00 C ATOM 87 CG MET A 9 -3.307 -2.283 10.977 1.00 0.00 C ATOM 88 SD MET A 9 -3.380 -2.794 12.686 1.00 0.00 S ATOM 89 CE MET A 9 -4.924 -3.690 12.675 1.00 0.00 C ATOM 0 H MET A 9 -0.055 -2.565 10.706 1.00 0.00 H new ATOM 0 HA MET A 9 -2.091 -1.952 8.735 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.491 -1.317 11.627 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.589 -0.260 10.762 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.258 -1.842 10.680 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.144 -3.150 10.336 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.125 -4.081 13.673 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.731 -3.020 12.378 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.860 -4.517 11.968 1.00 0.00 H new ATOM 99 N VAL A 10 -1.192 0.070 7.704 1.00 0.00 N ATOM 100 CA VAL A 10 -0.720 1.286 7.064 1.00 0.00 C ATOM 101 C VAL A 10 -1.921 2.122 6.617 1.00 0.00 C ATOM 102 O VAL A 10 -2.992 1.581 6.347 1.00 0.00 O ATOM 103 CB VAL A 10 0.227 0.937 5.914 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.433 0.142 6.418 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.508 0.176 4.809 1.00 0.00 C ATOM 0 H VAL A 10 -1.799 -0.509 7.124 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.148 1.891 7.767 1.00 0.00 H new ATOM 0 HB VAL A 10 0.595 1.871 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.090 -0.093 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.979 0.735 7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.091 -0.783 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.188 -0.059 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.919 -0.748 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.318 0.793 4.419 1.00 0.00 H new ATOM 115 N PHE A 11 -1.702 3.427 6.554 1.00 0.00 N ATOM 116 CA PHE A 11 -2.753 4.343 6.144 1.00 0.00 C ATOM 117 C PHE A 11 -2.709 4.589 4.635 1.00 0.00 C ATOM 118 O PHE A 11 -1.868 5.346 4.151 1.00 0.00 O ATOM 119 CB PHE A 11 -2.504 5.665 6.873 1.00 0.00 C ATOM 120 CG PHE A 11 -3.148 5.743 8.258 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.499 5.853 8.374 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.371 5.703 9.373 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.098 5.926 9.660 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.970 5.776 10.659 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.320 5.886 10.775 1.00 0.00 C ATOM 0 H PHE A 11 -0.812 3.872 6.780 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.729 3.922 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.429 5.815 6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.884 6.483 6.261 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.116 5.885 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.298 5.616 9.281 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.171 6.013 9.752 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.353 5.744 11.545 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.775 5.942 11.753 1.00 0.00 H new ATOM 135 N ILE A 12 -3.624 3.937 3.934 1.00 0.00 N ATOM 136 CA ILE A 12 -3.699 4.076 2.489 1.00 0.00 C ATOM 137 C ILE A 12 -4.530 5.313 2.143 1.00 0.00 C ATOM 138 O ILE A 12 -5.629 5.494 2.666 1.00 0.00 O ATOM 139 CB ILE A 12 -4.222 2.786 1.854 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.503 1.563 2.424 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.125 2.849 0.328 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.071 1.471 1.893 1.00 0.00 C ATOM 0 H ILE A 12 -4.320 3.311 4.339 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.705 4.231 2.068 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.277 2.684 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.488 1.620 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.051 0.659 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.503 1.920 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.719 3.686 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.084 2.986 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.582 0.592 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.090 1.389 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.518 2.366 2.180 1.00 0.00 H new ATOM 154 N SER A 13 -3.974 6.133 1.263 1.00 0.00 N ATOM 155 CA SER A 13 -4.650 7.348 0.841 1.00 0.00 C ATOM 156 C SER A 13 -4.629 7.455 -0.685 1.00 0.00 C ATOM 157 O SER A 13 -4.024 6.624 -1.361 1.00 0.00 O ATOM 158 CB SER A 13 -4.004 8.584 1.469 1.00 0.00 C ATOM 159 OG SER A 13 -2.609 8.400 1.698 1.00 0.00 O ATOM 0 H SER A 13 -3.063 5.980 0.831 1.00 0.00 H new ATOM 0 HA SER A 13 -5.684 7.300 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.154 9.443 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.499 8.812 2.413 1.00 0.00 H new ATOM 0 HG SER A 13 -2.174 9.274 1.789 1.00 0.00 H new ATOM 165 N SER A 14 -5.297 8.485 -1.183 1.00 0.00 N ATOM 166 CA SER A 14 -5.363 8.712 -2.617 1.00 0.00 C ATOM 167 C SER A 14 -5.978 10.083 -2.902 1.00 0.00 C ATOM 168 O SER A 14 -6.827 10.556 -2.148 1.00 0.00 O ATOM 169 CB SER A 14 -6.169 7.613 -3.312 1.00 0.00 C ATOM 170 OG SER A 14 -7.239 7.140 -2.498 1.00 0.00 O ATOM 0 H SER A 14 -5.797 9.172 -0.619 1.00 0.00 H new ATOM 0 HA SER A 14 -4.348 8.687 -3.014 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.569 7.996 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.509 6.782 -3.562 1.00 0.00 H new ATOM 0 HG SER A 14 -8.032 6.991 -3.054 1.00 0.00 H new ATOM 176 N SER A 15 -5.527 10.683 -3.994 1.00 0.00 N ATOM 177 CA SER A 15 -6.023 11.991 -4.388 1.00 0.00 C ATOM 178 C SER A 15 -7.512 11.904 -4.731 1.00 0.00 C ATOM 179 O SER A 15 -8.219 12.910 -4.698 1.00 0.00 O ATOM 180 CB SER A 15 -5.236 12.542 -5.579 1.00 0.00 C ATOM 181 OG SER A 15 -4.670 13.820 -5.299 1.00 0.00 O ATOM 0 H SER A 15 -4.824 10.288 -4.618 1.00 0.00 H new ATOM 0 HA SER A 15 -5.889 12.675 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.442 11.844 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.894 12.619 -6.444 1.00 0.00 H new ATOM 0 HG SER A 15 -4.174 14.137 -6.083 1.00 0.00 H new ATOM 187 N LEU A 16 -7.943 10.693 -5.051 1.00 0.00 N ATOM 188 CA LEU A 16 -9.335 10.462 -5.399 1.00 0.00 C ATOM 189 C LEU A 16 -10.209 10.688 -4.164 1.00 0.00 C ATOM 190 O LEU A 16 -11.199 11.416 -4.224 1.00 0.00 O ATOM 191 CB LEU A 16 -9.507 9.079 -6.030 1.00 0.00 C ATOM 192 CG LEU A 16 -8.721 8.827 -7.318 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.154 7.406 -7.345 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.577 9.127 -8.551 1.00 0.00 C ATOM 0 H LEU A 16 -7.353 9.861 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.662 11.175 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.214 8.328 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.566 8.926 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.874 9.512 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.600 7.253 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.486 7.264 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.971 6.687 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.994 8.940 -9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.457 8.484 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.890 10.171 -8.532 1.00 0.00 H new ATOM 206 N ASN A 17 -9.811 10.051 -3.072 1.00 0.00 N ATOM 207 CA ASN A 17 -10.546 10.173 -1.825 1.00 0.00 C ATOM 208 C ASN A 17 -10.208 11.512 -1.167 1.00 0.00 C ATOM 209 O ASN A 17 -9.255 12.180 -1.566 1.00 0.00 O ATOM 210 CB ASN A 17 -10.164 9.057 -0.849 1.00 0.00 C ATOM 211 CG ASN A 17 -10.969 7.786 -1.128 1.00 0.00 C ATOM 212 OD1 ASN A 17 -11.751 7.325 -0.313 1.00 0.00 O ATOM 213 ND2 ASN A 17 -10.734 7.248 -2.321 1.00 0.00 N ATOM 0 H ASN A 17 -8.989 9.449 -3.025 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.610 10.105 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.099 8.843 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.342 9.387 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.222 6.397 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.066 7.686 -2.955 1.00 0.00 H new ATOM 220 N SER A 18 -11.007 11.865 -0.171 1.00 0.00 N ATOM 221 CA SER A 18 -10.804 13.112 0.545 1.00 0.00 C ATOM 222 C SER A 18 -9.910 12.876 1.764 1.00 0.00 C ATOM 223 O SER A 18 -9.023 13.679 2.053 1.00 0.00 O ATOM 224 CB SER A 18 -12.139 13.723 0.977 1.00 0.00 C ATOM 225 OG SER A 18 -12.006 15.095 1.338 1.00 0.00 O ATOM 0 H SER A 18 -11.796 11.309 0.157 1.00 0.00 H new ATOM 0 HA SER A 18 -10.313 13.816 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.860 13.630 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.538 13.163 1.823 1.00 0.00 H new ATOM 0 HG SER A 18 -12.880 15.449 1.606 1.00 0.00 H new ATOM 231 N PHE A 19 -10.174 11.772 2.447 1.00 0.00 N ATOM 232 CA PHE A 19 -9.404 11.420 3.628 1.00 0.00 C ATOM 233 C PHE A 19 -8.566 10.164 3.382 1.00 0.00 C ATOM 234 O PHE A 19 -8.404 9.735 2.241 1.00 0.00 O ATOM 235 CB PHE A 19 -10.407 11.139 4.748 1.00 0.00 C ATOM 236 CG PHE A 19 -10.270 12.070 5.954 1.00 0.00 C ATOM 237 CD1 PHE A 19 -10.837 13.306 5.927 1.00 0.00 C ATOM 238 CD2 PHE A 19 -9.581 11.662 7.054 1.00 0.00 C ATOM 239 CE1 PHE A 19 -10.709 14.171 7.047 1.00 0.00 C ATOM 240 CE2 PHE A 19 -9.454 12.526 8.173 1.00 0.00 C ATOM 241 CZ PHE A 19 -10.021 13.762 8.146 1.00 0.00 C ATOM 0 H PHE A 19 -10.911 11.109 2.205 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.724 12.232 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.417 11.226 4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.284 10.109 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.385 13.630 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.131 10.681 7.076 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.158 15.153 7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.907 12.202 9.046 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.925 14.419 8.998 1.00 0.00 H new ATOM 251 N ARG A 20 -8.056 9.609 4.472 1.00 0.00 N ATOM 252 CA ARG A 20 -7.240 8.410 4.390 1.00 0.00 C ATOM 253 C ARG A 20 -8.072 7.175 4.739 1.00 0.00 C ATOM 254 O ARG A 20 -9.118 7.287 5.378 1.00 0.00 O ATOM 255 CB ARG A 20 -6.041 8.494 5.337 1.00 0.00 C ATOM 256 CG ARG A 20 -4.929 9.359 4.740 1.00 0.00 C ATOM 257 CD ARG A 20 -4.377 10.336 5.780 1.00 0.00 C ATOM 258 NE ARG A 20 -4.470 11.723 5.270 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.594 12.452 5.280 1.00 0.00 C ATOM 260 NH1 ARG A 20 -6.726 11.933 5.772 1.00 0.00 N ATOM 261 NH2 ARG A 20 -5.585 13.702 4.797 1.00 0.00 N ATOM 0 H ARG A 20 -8.192 9.968 5.417 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.875 8.327 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.357 8.911 6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.660 7.492 5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.125 8.721 4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.314 9.913 3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.936 10.244 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.339 10.092 6.006 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.626 12.150 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.733 10.982 6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.581 12.489 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.723 14.098 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.440 14.258 4.804 1.00 0.00 H new ATOM 275 N SER A 21 -7.578 6.025 4.305 1.00 0.00 N ATOM 276 CA SER A 21 -8.263 4.770 4.564 1.00 0.00 C ATOM 277 C SER A 21 -7.448 3.921 5.542 1.00 0.00 C ATOM 278 O SER A 21 -6.294 4.235 5.829 1.00 0.00 O ATOM 279 CB SER A 21 -8.508 3.998 3.266 1.00 0.00 C ATOM 280 OG SER A 21 -9.738 4.369 2.649 1.00 0.00 O ATOM 0 H SER A 21 -6.711 5.936 3.775 1.00 0.00 H new ATOM 0 HA SER A 21 -9.232 4.995 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.686 4.181 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.516 2.928 3.476 1.00 0.00 H new ATOM 0 HG SER A 21 -9.857 3.856 1.823 1.00 0.00 H new ATOM 286 N GLU A 22 -8.081 2.862 6.025 1.00 0.00 N ATOM 287 CA GLU A 22 -7.429 1.965 6.964 1.00 0.00 C ATOM 288 C GLU A 22 -7.420 0.537 6.415 1.00 0.00 C ATOM 289 O GLU A 22 -8.413 -0.181 6.527 1.00 0.00 O ATOM 290 CB GLU A 22 -8.104 2.021 8.335 1.00 0.00 C ATOM 291 CG GLU A 22 -7.308 1.226 9.372 1.00 0.00 C ATOM 292 CD GLU A 22 -7.861 1.453 10.780 1.00 0.00 C ATOM 293 OE1 GLU A 22 -9.097 1.337 10.930 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.036 1.738 11.675 1.00 0.00 O ATOM 0 H GLU A 22 -9.038 2.605 5.784 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.397 2.291 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.194 3.058 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.115 1.621 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.347 0.164 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.260 1.523 9.337 1.00 0.00 H new ATOM 301 N LYS A 23 -6.289 0.167 5.834 1.00 0.00 N ATOM 302 CA LYS A 23 -6.138 -1.163 5.267 1.00 0.00 C ATOM 303 C LYS A 23 -4.948 -1.862 5.927 1.00 0.00 C ATOM 304 O LYS A 23 -4.221 -1.251 6.710 1.00 0.00 O ATOM 305 CB LYS A 23 -6.038 -1.087 3.742 1.00 0.00 C ATOM 306 CG LYS A 23 -7.422 -0.923 3.110 1.00 0.00 C ATOM 307 CD LYS A 23 -7.926 -2.252 2.542 1.00 0.00 C ATOM 308 CE LYS A 23 -8.965 -2.019 1.443 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.223 -2.732 1.760 1.00 0.00 N ATOM 0 H LYS A 23 -5.468 0.765 5.743 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.020 -1.769 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.402 -0.249 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.564 -1.991 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.125 -0.552 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.377 -0.178 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.088 -2.821 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.364 -2.850 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.161 -0.952 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.575 -2.365 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.917 -2.564 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.034 -3.752 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.602 -2.382 2.663 1.00 0.00 H new ATOM 323 N ARG A 24 -4.786 -3.132 5.588 1.00 0.00 N ATOM 324 CA ARG A 24 -3.697 -3.921 6.138 1.00 0.00 C ATOM 325 C ARG A 24 -3.068 -4.791 5.048 1.00 0.00 C ATOM 326 O ARG A 24 -3.756 -5.235 4.130 1.00 0.00 O ATOM 327 CB ARG A 24 -4.186 -4.817 7.278 1.00 0.00 C ATOM 328 CG ARG A 24 -3.125 -5.852 7.656 1.00 0.00 C ATOM 329 CD ARG A 24 -3.542 -6.635 8.903 1.00 0.00 C ATOM 330 NE ARG A 24 -3.494 -8.088 8.626 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.456 -8.763 7.983 1.00 0.00 C ATOM 332 NH1 ARG A 24 -5.547 -8.120 7.545 1.00 0.00 N ATOM 333 NH2 ARG A 24 -4.328 -10.081 7.777 1.00 0.00 N ATOM 0 H ARG A 24 -5.391 -3.635 4.939 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.952 -3.229 6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.429 -4.206 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.103 -5.324 6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.971 -6.540 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.173 -5.353 7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.879 -6.392 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.549 -6.347 9.204 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.677 -8.608 8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.645 -7.117 7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.280 -8.634 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.498 -10.571 8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.061 -10.594 7.287 1.00 0.00 H new ATOM 347 N TYR A 25 -1.769 -5.009 5.185 1.00 0.00 N ATOM 348 CA TYR A 25 -1.040 -5.819 4.224 1.00 0.00 C ATOM 349 C TYR A 25 0.188 -6.464 4.869 1.00 0.00 C ATOM 350 O TYR A 25 0.849 -5.851 5.705 1.00 0.00 O ATOM 351 CB TYR A 25 -0.578 -4.857 3.127 1.00 0.00 C ATOM 352 CG TYR A 25 -1.686 -3.949 2.588 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.494 -4.384 1.558 1.00 0.00 C ATOM 354 CD2 TYR A 25 -1.877 -2.696 3.133 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.536 -3.530 1.051 1.00 0.00 C ATOM 356 CE2 TYR A 25 -2.919 -1.841 2.626 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.698 -2.301 1.610 1.00 0.00 C ATOM 358 OH TYR A 25 -4.682 -1.494 1.131 1.00 0.00 O ATOM 0 H TYR A 25 -1.202 -4.639 5.948 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.672 -6.620 3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.228 -4.236 3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.163 -5.436 2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.345 -5.365 1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.245 -2.356 3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.175 -3.858 0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.078 -0.857 3.043 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.420 -2.043 0.794 1.00 0.00 H new ATOM 368 N SER A 26 0.455 -7.695 4.456 1.00 0.00 N ATOM 369 CA SER A 26 1.592 -8.430 4.984 1.00 0.00 C ATOM 370 C SER A 26 2.897 -7.805 4.487 1.00 0.00 C ATOM 371 O SER A 26 2.948 -7.262 3.384 1.00 0.00 O ATOM 372 CB SER A 26 1.525 -9.906 4.586 1.00 0.00 C ATOM 373 OG SER A 26 2.552 -10.674 5.208 1.00 0.00 O ATOM 0 H SER A 26 -0.096 -8.201 3.763 1.00 0.00 H new ATOM 0 HA SER A 26 1.561 -8.372 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.552 -10.312 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.612 -9.994 3.503 1.00 0.00 H new ATOM 0 HG SER A 26 3.082 -11.130 4.521 1.00 0.00 H new ATOM 379 N ARG A 27 3.919 -7.902 5.324 1.00 0.00 N ATOM 380 CA ARG A 27 5.220 -7.353 4.983 1.00 0.00 C ATOM 381 C ARG A 27 5.902 -8.220 3.923 1.00 0.00 C ATOM 382 O ARG A 27 6.997 -7.900 3.464 1.00 0.00 O ATOM 383 CB ARG A 27 6.121 -7.265 6.217 1.00 0.00 C ATOM 384 CG ARG A 27 5.631 -6.179 7.177 1.00 0.00 C ATOM 385 CD ARG A 27 6.767 -5.693 8.080 1.00 0.00 C ATOM 386 NE ARG A 27 6.355 -5.775 9.499 1.00 0.00 N ATOM 387 CZ ARG A 27 7.058 -5.260 10.517 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.212 -4.622 10.278 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.608 -5.382 11.773 1.00 0.00 N ATOM 0 H ARG A 27 3.872 -8.353 6.238 1.00 0.00 H new ATOM 0 HA ARG A 27 5.063 -6.349 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.138 -8.227 6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.144 -7.049 5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.229 -5.340 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.817 -6.569 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.658 -6.299 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.029 -4.666 7.828 1.00 0.00 H new ATOM 0 HE ARG A 27 5.481 -6.254 9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.555 -4.529 9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.748 -4.230 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.730 -5.867 11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.144 -4.990 12.547 1.00 0.00 H new ATOM 403 N SER A 28 5.225 -9.302 3.565 1.00 0.00 N ATOM 404 CA SER A 28 5.752 -10.218 2.568 1.00 0.00 C ATOM 405 C SER A 28 5.092 -9.952 1.213 1.00 0.00 C ATOM 406 O SER A 28 5.464 -10.557 0.208 1.00 0.00 O ATOM 407 CB SER A 28 5.535 -11.673 2.988 1.00 0.00 C ATOM 408 OG SER A 28 4.194 -12.099 2.764 1.00 0.00 O ATOM 0 H SER A 28 4.317 -9.564 3.948 1.00 0.00 H new ATOM 0 HA SER A 28 6.825 -10.050 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.217 -12.316 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.780 -11.786 4.044 1.00 0.00 H new ATOM 0 HG SER A 28 4.097 -13.033 3.043 1.00 0.00 H new ATOM 414 N LEU A 29 4.124 -9.047 1.229 1.00 0.00 N ATOM 415 CA LEU A 29 3.409 -8.695 0.014 1.00 0.00 C ATOM 416 C LEU A 29 4.333 -7.888 -0.900 1.00 0.00 C ATOM 417 O LEU A 29 4.722 -6.770 -0.565 1.00 0.00 O ATOM 418 CB LEU A 29 2.100 -7.979 0.352 1.00 0.00 C ATOM 419 CG LEU A 29 0.840 -8.846 0.342 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.418 -7.986 0.479 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.794 -9.732 -0.905 1.00 0.00 C ATOM 0 H LEU A 29 3.818 -8.547 2.064 1.00 0.00 H new ATOM 0 HA LEU A 29 3.122 -9.593 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.200 -7.529 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.961 -7.163 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 29 0.874 -9.508 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.300 -8.627 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.381 -7.434 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.471 -7.283 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.112 -10.338 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.794 -9.105 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.667 -10.384 -0.920 1.00 0.00 H new ATOM 433 N THR A 30 4.658 -8.486 -2.037 1.00 0.00 N ATOM 434 CA THR A 30 5.529 -7.836 -3.002 1.00 0.00 C ATOM 435 C THR A 30 4.925 -6.506 -3.455 1.00 0.00 C ATOM 436 O THR A 30 3.736 -6.432 -3.759 1.00 0.00 O ATOM 437 CB THR A 30 5.774 -8.816 -4.151 1.00 0.00 C ATOM 438 OG1 THR A 30 4.477 -9.040 -4.699 1.00 0.00 O ATOM 439 CG2 THR A 30 6.215 -10.196 -3.661 1.00 0.00 C ATOM 0 H THR A 30 4.334 -9.413 -2.312 1.00 0.00 H new ATOM 0 HA THR A 30 6.493 -7.584 -2.559 1.00 0.00 H new ATOM 0 HB THR A 30 6.533 -8.409 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.543 -9.664 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.375 -10.852 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.143 -10.102 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.442 -10.619 -3.020 1.00 0.00 H new ATOM 447 N ILE A 31 5.772 -5.488 -3.485 1.00 0.00 N ATOM 448 CA ILE A 31 5.337 -4.164 -3.896 1.00 0.00 C ATOM 449 C ILE A 31 4.325 -4.296 -5.036 1.00 0.00 C ATOM 450 O ILE A 31 3.314 -3.596 -5.057 1.00 0.00 O ATOM 451 CB ILE A 31 6.542 -3.287 -4.242 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.438 -3.078 -3.019 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.095 -1.960 -4.858 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.693 -2.321 -1.917 1.00 0.00 C ATOM 0 H ILE A 31 6.758 -5.553 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 31 4.829 -3.658 -3.075 1.00 0.00 H new ATOM 0 HB ILE A 31 7.138 -3.806 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.773 -4.043 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.330 -2.522 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.971 -1.355 -5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.531 -2.154 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.465 -1.424 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.352 -2.186 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.381 -1.346 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.815 -2.891 -1.614 1.00 0.00 H new ATOM 466 N ALA A 32 4.633 -5.197 -5.957 1.00 0.00 N ATOM 467 CA ALA A 32 3.763 -5.430 -7.097 1.00 0.00 C ATOM 468 C ALA A 32 2.387 -5.879 -6.600 1.00 0.00 C ATOM 469 O ALA A 32 1.370 -5.284 -6.953 1.00 0.00 O ATOM 470 CB ALA A 32 4.408 -6.454 -8.032 1.00 0.00 C ATOM 0 H ALA A 32 5.473 -5.775 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 32 3.624 -4.511 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.755 -6.628 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.368 -6.074 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.561 -7.390 -7.496 1.00 0.00 H new ATOM 476 N GLU A 33 2.400 -6.927 -5.789 1.00 0.00 N ATOM 477 CA GLU A 33 1.166 -7.463 -5.240 1.00 0.00 C ATOM 478 C GLU A 33 0.477 -6.417 -4.362 1.00 0.00 C ATOM 479 O GLU A 33 -0.740 -6.251 -4.428 1.00 0.00 O ATOM 480 CB GLU A 33 1.429 -8.750 -4.456 1.00 0.00 C ATOM 481 CG GLU A 33 1.508 -9.957 -5.393 1.00 0.00 C ATOM 482 CD GLU A 33 0.160 -10.677 -5.475 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.146 -11.421 -4.519 1.00 0.00 O ATOM 484 OE2 GLU A 33 -0.535 -10.466 -6.493 1.00 0.00 O ATOM 0 H GLU A 33 3.245 -7.419 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 33 0.500 -7.710 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.361 -8.656 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.635 -8.904 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.811 -9.630 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.272 -10.648 -5.038 1.00 0.00 H new ATOM 491 N PHE A 34 1.284 -5.740 -3.560 1.00 0.00 N ATOM 492 CA PHE A 34 0.767 -4.714 -2.670 1.00 0.00 C ATOM 493 C PHE A 34 -0.147 -3.745 -3.422 1.00 0.00 C ATOM 494 O PHE A 34 -1.221 -3.395 -2.935 1.00 0.00 O ATOM 495 CB PHE A 34 1.973 -3.943 -2.128 1.00 0.00 C ATOM 496 CG PHE A 34 1.602 -2.729 -1.274 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.374 -2.655 -0.693 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.499 -1.723 -1.096 1.00 0.00 C ATOM 499 CE1 PHE A 34 0.030 -1.528 0.099 1.00 0.00 C ATOM 500 CE2 PHE A 34 2.155 -0.596 -0.303 1.00 0.00 C ATOM 501 CZ PHE A 34 0.928 -0.523 0.277 1.00 0.00 C ATOM 0 H PHE A 34 2.293 -5.881 -3.507 1.00 0.00 H new ATOM 0 HA PHE A 34 0.185 -5.173 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.586 -4.620 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.586 -3.611 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.339 -3.454 -0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.474 -1.781 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.945 -1.469 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.868 0.203 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.666 0.334 0.880 1.00 0.00 H new ATOM 511 N LYS A 35 0.312 -3.340 -4.596 1.00 0.00 N ATOM 512 CA LYS A 35 -0.451 -2.418 -5.421 1.00 0.00 C ATOM 513 C LYS A 35 -1.734 -3.105 -5.893 1.00 0.00 C ATOM 514 O LYS A 35 -2.816 -2.525 -5.821 1.00 0.00 O ATOM 515 CB LYS A 35 0.413 -1.878 -6.562 1.00 0.00 C ATOM 516 CG LYS A 35 1.728 -1.306 -6.030 1.00 0.00 C ATOM 517 CD LYS A 35 2.845 -1.443 -7.067 1.00 0.00 C ATOM 518 CE LYS A 35 3.634 -0.139 -7.199 1.00 0.00 C ATOM 519 NZ LYS A 35 2.931 0.805 -8.096 1.00 0.00 N ATOM 0 H LYS A 35 1.203 -3.633 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.751 -1.546 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.621 -2.676 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.133 -1.104 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.594 -0.256 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.011 -1.826 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.517 -2.251 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.418 -1.713 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.766 0.314 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.630 -0.348 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.481 1.684 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.827 0.377 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.990 1.018 -7.707 1.00 0.00 H new ATOM 533 N CYS A 36 -1.571 -4.333 -6.364 1.00 0.00 N ATOM 534 CA CYS A 36 -2.702 -5.105 -6.848 1.00 0.00 C ATOM 535 C CYS A 36 -3.852 -4.949 -5.851 1.00 0.00 C ATOM 536 O CYS A 36 -5.020 -5.037 -6.226 1.00 0.00 O ATOM 537 CB CYS A 36 -2.333 -6.574 -7.067 1.00 0.00 C ATOM 538 SG CYS A 36 -2.504 -7.005 -8.837 1.00 0.00 S ATOM 0 H CYS A 36 -0.672 -4.812 -6.420 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.012 -4.727 -7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.310 -6.753 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.978 -7.213 -6.465 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.796 -5.937 -9.518 1.00 0.00 H new ATOM 544 N LYS A 37 -3.481 -4.720 -4.599 1.00 0.00 N ATOM 545 CA LYS A 37 -4.467 -4.551 -3.546 1.00 0.00 C ATOM 546 C LYS A 37 -5.036 -3.132 -3.609 1.00 0.00 C ATOM 547 O LYS A 37 -6.252 -2.947 -3.623 1.00 0.00 O ATOM 548 CB LYS A 37 -3.865 -4.912 -2.186 1.00 0.00 C ATOM 549 CG LYS A 37 -3.228 -6.303 -2.220 1.00 0.00 C ATOM 550 CD LYS A 37 -4.156 -7.346 -1.594 1.00 0.00 C ATOM 551 CE LYS A 37 -3.673 -8.764 -1.901 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.762 -9.742 -1.682 1.00 0.00 N ATOM 0 H LYS A 37 -2.511 -4.648 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.302 -5.237 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.115 -4.171 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.641 -4.882 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.006 -6.580 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.280 -6.286 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.199 -7.198 -0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.169 -7.212 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.327 -8.821 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.822 -9.010 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.417 -10.700 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.073 -9.699 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.562 -9.516 -2.306 1.00 0.00 H new ATOM 566 N LEU A 38 -4.130 -2.166 -3.645 1.00 0.00 N ATOM 567 CA LEU A 38 -4.526 -0.770 -3.707 1.00 0.00 C ATOM 568 C LEU A 38 -5.449 -0.558 -4.909 1.00 0.00 C ATOM 569 O LEU A 38 -6.281 0.347 -4.905 1.00 0.00 O ATOM 570 CB LEU A 38 -3.294 0.138 -3.710 1.00 0.00 C ATOM 571 CG LEU A 38 -2.209 -0.201 -2.686 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.094 0.847 -2.701 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.810 -0.378 -1.289 1.00 0.00 C ATOM 0 H LEU A 38 -3.122 -2.323 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.093 -0.496 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.849 0.110 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.622 1.163 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.760 -1.153 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.336 0.582 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.641 0.882 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.510 1.825 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.018 -0.618 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.301 0.546 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.539 -1.188 -1.307 1.00 0.00 H new ATOM 585 N GLU A 39 -5.270 -1.409 -5.909 1.00 0.00 N ATOM 586 CA GLU A 39 -6.076 -1.327 -7.115 1.00 0.00 C ATOM 587 C GLU A 39 -7.549 -1.122 -6.756 1.00 0.00 C ATOM 588 O GLU A 39 -8.166 -0.147 -7.183 1.00 0.00 O ATOM 589 CB GLU A 39 -5.891 -2.573 -7.983 1.00 0.00 C ATOM 590 CG GLU A 39 -4.507 -2.586 -8.636 1.00 0.00 C ATOM 591 CD GLU A 39 -4.351 -3.791 -9.566 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.394 -4.403 -9.882 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.192 -4.073 -9.940 1.00 0.00 O ATOM 0 H GLU A 39 -4.578 -2.159 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.741 -0.467 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.018 -3.467 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.661 -2.601 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.358 -1.665 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.737 -2.615 -7.865 1.00 0.00 H new ATOM 600 N LEU A 40 -8.070 -2.057 -5.975 1.00 0.00 N ATOM 601 CA LEU A 40 -9.459 -1.991 -5.554 1.00 0.00 C ATOM 602 C LEU A 40 -9.654 -0.779 -4.640 1.00 0.00 C ATOM 603 O LEU A 40 -10.663 -0.083 -4.734 1.00 0.00 O ATOM 604 CB LEU A 40 -9.890 -3.315 -4.919 1.00 0.00 C ATOM 605 CG LEU A 40 -9.219 -4.574 -5.473 1.00 0.00 C ATOM 606 CD1 LEU A 40 -8.902 -4.417 -6.961 1.00 0.00 C ATOM 607 CD2 LEU A 40 -7.976 -4.936 -4.657 1.00 0.00 C ATOM 0 H LEU A 40 -7.555 -2.864 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.111 -1.849 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.692 -3.263 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.968 -3.419 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.919 -5.404 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.426 -5.326 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.825 -4.242 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.229 -3.572 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.518 -5.834 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.262 -4.113 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.261 -5.119 -3.621 1.00 0.00 H new ATOM 619 N VAL A 41 -8.672 -0.565 -3.777 1.00 0.00 N ATOM 620 CA VAL A 41 -8.722 0.550 -2.848 1.00 0.00 C ATOM 621 C VAL A 41 -9.072 1.829 -3.611 1.00 0.00 C ATOM 622 O VAL A 41 -10.115 2.435 -3.369 1.00 0.00 O ATOM 623 CB VAL A 41 -7.402 0.654 -2.082 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.417 1.844 -1.121 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.096 -0.648 -1.338 1.00 0.00 C ATOM 0 H VAL A 41 -7.837 -1.145 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.502 0.391 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.606 0.821 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.467 1.894 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.567 2.765 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.228 1.722 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.152 -0.547 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.896 -0.858 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.021 -1.467 -2.053 1.00 0.00 H new ATOM 635 N VAL A 42 -8.181 2.202 -4.518 1.00 0.00 N ATOM 636 CA VAL A 42 -8.383 3.398 -5.318 1.00 0.00 C ATOM 637 C VAL A 42 -9.296 3.067 -6.500 1.00 0.00 C ATOM 638 O VAL A 42 -9.734 3.963 -7.221 1.00 0.00 O ATOM 639 CB VAL A 42 -7.032 3.973 -5.749 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.402 4.796 -4.624 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.086 2.863 -6.213 1.00 0.00 C ATOM 0 H VAL A 42 -7.317 1.697 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.878 4.171 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.206 4.639 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.443 5.193 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.065 5.621 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.249 4.162 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.133 3.299 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.922 2.160 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.528 2.338 -7.060 1.00 0.00 H new ATOM 651 N GLY A 43 -9.557 1.778 -6.663 1.00 0.00 N ATOM 652 CA GLY A 43 -10.411 1.319 -7.745 1.00 0.00 C ATOM 653 C GLY A 43 -9.768 1.594 -9.105 1.00 0.00 C ATOM 654 O GLY A 43 -10.466 1.753 -10.105 1.00 0.00 O ATOM 0 H GLY A 43 -9.192 1.037 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.599 0.251 -7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.377 1.820 -7.688 1.00 0.00 H new ATOM 658 N SER A 44 -8.444 1.642 -9.099 1.00 0.00 N ATOM 659 CA SER A 44 -7.699 1.896 -10.321 1.00 0.00 C ATOM 660 C SER A 44 -6.669 0.787 -10.545 1.00 0.00 C ATOM 661 O SER A 44 -6.405 -0.011 -9.647 1.00 0.00 O ATOM 662 CB SER A 44 -7.008 3.260 -10.271 1.00 0.00 C ATOM 663 OG SER A 44 -7.053 3.834 -8.968 1.00 0.00 O ATOM 0 H SER A 44 -7.868 1.509 -8.268 1.00 0.00 H new ATOM 0 HA SER A 44 -8.401 1.905 -11.155 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.969 3.152 -10.584 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.486 3.935 -10.981 1.00 0.00 H new ATOM 0 HG SER A 44 -6.600 4.703 -8.978 1.00 0.00 H new ATOM 669 N PRO A 45 -6.099 0.773 -11.780 1.00 0.00 N ATOM 670 CA PRO A 45 -5.104 -0.225 -12.134 1.00 0.00 C ATOM 671 C PRO A 45 -3.757 0.088 -11.479 1.00 0.00 C ATOM 672 O PRO A 45 -3.338 1.244 -11.434 1.00 0.00 O ATOM 673 CB PRO A 45 -5.045 -0.201 -13.652 1.00 0.00 C ATOM 674 CG PRO A 45 -5.663 1.122 -14.073 1.00 0.00 C ATOM 675 CD PRO A 45 -6.387 1.702 -12.868 1.00 0.00 C ATOM 0 HA PRO A 45 -5.361 -1.221 -11.774 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.017 -0.281 -14.004 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.594 -1.041 -14.077 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.893 1.809 -14.423 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.357 0.973 -14.900 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.030 2.706 -12.637 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.459 1.779 -13.050 1.00 0.00 H new ATOM 683 N ALA A 46 -3.116 -0.962 -10.987 1.00 0.00 N ATOM 684 CA ALA A 46 -1.825 -0.814 -10.336 1.00 0.00 C ATOM 685 C ALA A 46 -0.811 -0.267 -11.343 1.00 0.00 C ATOM 686 O ALA A 46 0.247 0.228 -10.958 1.00 0.00 O ATOM 687 CB ALA A 46 -1.394 -2.158 -9.746 1.00 0.00 C ATOM 0 H ALA A 46 -3.467 -1.919 -11.026 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.889 -0.102 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.426 -2.047 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.133 -2.489 -9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.316 -2.897 -10.543 1.00 0.00 H new ATOM 693 N SER A 47 -1.170 -0.375 -12.614 1.00 0.00 N ATOM 694 CA SER A 47 -0.305 0.103 -13.679 1.00 0.00 C ATOM 695 C SER A 47 -0.564 1.589 -13.937 1.00 0.00 C ATOM 696 O SER A 47 0.038 2.182 -14.831 1.00 0.00 O ATOM 697 CB SER A 47 -0.515 -0.703 -14.962 1.00 0.00 C ATOM 698 OG SER A 47 0.720 -1.059 -15.577 1.00 0.00 O ATOM 0 H SER A 47 -2.048 -0.787 -12.930 1.00 0.00 H new ATOM 0 HA SER A 47 0.730 -0.029 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.080 -1.607 -14.734 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.114 -0.121 -15.662 1.00 0.00 H new ATOM 0 HG SER A 47 0.543 -1.574 -16.392 1.00 0.00 H new ATOM 704 N CYS A 48 -1.461 2.148 -13.138 1.00 0.00 N ATOM 705 CA CYS A 48 -1.808 3.553 -13.269 1.00 0.00 C ATOM 706 C CYS A 48 -1.898 4.158 -11.867 1.00 0.00 C ATOM 707 O CYS A 48 -2.763 4.991 -11.601 1.00 0.00 O ATOM 708 CB CYS A 48 -3.104 3.745 -14.058 1.00 0.00 C ATOM 709 SG CYS A 48 -2.952 2.972 -15.710 1.00 0.00 S ATOM 0 H CYS A 48 -1.958 1.653 -12.397 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.035 4.070 -13.838 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.939 3.301 -13.515 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.321 4.808 -14.163 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.059 3.139 -16.371 1.00 0.00 H new ATOM 715 N MET A 49 -0.994 3.715 -11.006 1.00 0.00 N ATOM 716 CA MET A 49 -0.961 4.202 -9.638 1.00 0.00 C ATOM 717 C MET A 49 0.451 4.106 -9.055 1.00 0.00 C ATOM 718 O MET A 49 1.143 3.110 -9.258 1.00 0.00 O ATOM 719 CB MET A 49 -1.924 3.380 -8.779 1.00 0.00 C ATOM 720 CG MET A 49 -1.162 2.511 -7.778 1.00 0.00 C ATOM 721 SD MET A 49 -2.302 1.755 -6.632 1.00 0.00 S ATOM 722 CE MET A 49 -3.696 1.486 -7.715 1.00 0.00 C ATOM 0 H MET A 49 -0.278 3.023 -11.230 1.00 0.00 H new ATOM 0 HA MET A 49 -1.264 5.249 -9.639 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.600 4.047 -8.245 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.539 2.748 -9.420 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.601 1.741 -8.307 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.437 3.118 -7.235 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.457 0.907 -7.192 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.114 2.447 -8.015 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.369 0.940 -8.600 1.00 0.00 H new ATOM 732 N GLU A 50 0.835 5.155 -8.343 1.00 0.00 N ATOM 733 CA GLU A 50 2.152 5.201 -7.730 1.00 0.00 C ATOM 734 C GLU A 50 2.037 5.032 -6.214 1.00 0.00 C ATOM 735 O GLU A 50 0.971 5.250 -5.640 1.00 0.00 O ATOM 736 CB GLU A 50 2.876 6.502 -8.083 1.00 0.00 C ATOM 737 CG GLU A 50 4.385 6.277 -8.197 1.00 0.00 C ATOM 738 CD GLU A 50 4.711 5.316 -9.342 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.523 5.734 -10.505 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.140 4.184 -9.029 1.00 0.00 O ATOM 0 H GLU A 50 0.258 5.979 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 50 2.744 4.376 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.491 6.892 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.674 7.253 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.887 7.230 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.768 5.874 -7.259 1.00 0.00 H new ATOM 747 N LEU A 51 3.150 4.645 -5.608 1.00 0.00 N ATOM 748 CA LEU A 51 3.188 4.444 -4.170 1.00 0.00 C ATOM 749 C LEU A 51 4.115 5.484 -3.538 1.00 0.00 C ATOM 750 O LEU A 51 5.074 5.930 -4.167 1.00 0.00 O ATOM 751 CB LEU A 51 3.570 2.999 -3.841 1.00 0.00 C ATOM 752 CG LEU A 51 2.581 1.924 -4.294 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.875 0.586 -3.613 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.137 2.377 -4.069 1.00 0.00 C ATOM 0 H LEU A 51 4.032 4.465 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 51 2.199 4.594 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.538 2.788 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.698 2.915 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 51 2.708 1.774 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.157 -0.161 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.884 0.262 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.794 0.702 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.454 1.594 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.978 2.573 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.948 3.287 -4.638 1.00 0.00 H new ATOM 766 N GLU A 52 3.798 5.840 -2.302 1.00 0.00 N ATOM 767 CA GLU A 52 4.590 6.819 -1.578 1.00 0.00 C ATOM 768 C GLU A 52 4.675 6.444 -0.097 1.00 0.00 C ATOM 769 O GLU A 52 3.690 6.002 0.492 1.00 0.00 O ATOM 770 CB GLU A 52 4.017 8.227 -1.755 1.00 0.00 C ATOM 771 CG GLU A 52 4.342 8.781 -3.143 1.00 0.00 C ATOM 772 CD GLU A 52 4.743 10.255 -3.066 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.890 11.053 -2.621 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.894 10.551 -3.452 1.00 0.00 O ATOM 0 H GLU A 52 3.003 5.467 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 52 5.599 6.818 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.937 8.204 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.425 8.888 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.152 8.203 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.475 8.670 -3.795 1.00 0.00 H new ATOM 781 N LEU A 53 5.861 6.634 0.462 1.00 0.00 N ATOM 782 CA LEU A 53 6.088 6.321 1.862 1.00 0.00 C ATOM 783 C LEU A 53 6.331 7.617 2.637 1.00 0.00 C ATOM 784 O LEU A 53 7.305 8.324 2.381 1.00 0.00 O ATOM 785 CB LEU A 53 7.215 5.297 2.007 1.00 0.00 C ATOM 786 CG LEU A 53 7.710 5.040 3.432 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.570 4.552 4.328 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.895 4.073 3.435 1.00 0.00 C ATOM 0 H LEU A 53 6.676 7.001 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 53 5.205 5.851 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.876 4.351 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.060 5.629 1.405 1.00 0.00 H new ATOM 0 HG LEU A 53 8.064 5.984 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.948 4.377 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.785 5.307 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.164 3.624 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.227 3.908 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.591 3.123 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.713 4.498 2.853 1.00 0.00 H new ATOM 800 N TYR A 54 5.430 7.890 3.570 1.00 0.00 N ATOM 801 CA TYR A 54 5.535 9.089 4.384 1.00 0.00 C ATOM 802 C TYR A 54 5.950 8.744 5.816 1.00 0.00 C ATOM 803 O TYR A 54 5.699 7.637 6.289 1.00 0.00 O ATOM 804 CB TYR A 54 4.136 9.707 4.406 1.00 0.00 C ATOM 805 CG TYR A 54 3.712 10.334 3.076 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.388 9.527 2.005 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.653 11.707 2.949 1.00 0.00 C ATOM 808 CE1 TYR A 54 2.989 10.117 0.754 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.254 12.297 1.697 1.00 0.00 C ATOM 810 CZ TYR A 54 2.941 11.473 0.662 1.00 0.00 C ATOM 811 OH TYR A 54 2.564 12.031 -0.520 1.00 0.00 O ATOM 0 H TYR A 54 4.624 7.301 3.780 1.00 0.00 H new ATOM 0 HA TYR A 54 6.285 9.766 3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.414 8.937 4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.099 10.470 5.184 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.434 8.453 2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.906 12.339 3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.734 9.497 -0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.205 13.370 1.583 1.00 0.00 H new ATOM 0 HH TYR A 54 3.001 11.558 -1.259 1.00 0.00 H new ATOM 821 N GLY A 55 6.578 9.714 6.465 1.00 0.00 N ATOM 822 CA GLY A 55 7.030 9.527 7.833 1.00 0.00 C ATOM 823 C GLY A 55 5.845 9.338 8.782 1.00 0.00 C ATOM 824 O GLY A 55 5.012 8.457 8.573 1.00 0.00 O ATOM 0 H GLY A 55 6.784 10.631 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.686 8.658 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.617 10.390 8.147 1.00 0.00 H new ATOM 828 N ALA A 56 5.806 10.180 9.804 1.00 0.00 N ATOM 829 CA ALA A 56 4.736 10.117 10.786 1.00 0.00 C ATOM 830 C ALA A 56 3.733 11.239 10.513 1.00 0.00 C ATOM 831 O ALA A 56 2.612 10.983 10.078 1.00 0.00 O ATOM 832 CB ALA A 56 5.330 10.194 12.194 1.00 0.00 C ATOM 0 H ALA A 56 6.498 10.910 9.974 1.00 0.00 H new ATOM 0 HA ALA A 56 4.200 9.171 10.710 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.528 10.147 12.930 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.013 9.358 12.347 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.873 11.132 12.309 1.00 0.00 H new ATOM 838 N ASP A 57 4.173 12.460 10.781 1.00 0.00 N ATOM 839 CA ASP A 57 3.328 13.623 10.570 1.00 0.00 C ATOM 840 C ASP A 57 2.814 13.620 9.129 1.00 0.00 C ATOM 841 O ASP A 57 1.611 13.730 8.895 1.00 0.00 O ATOM 842 CB ASP A 57 4.110 14.920 10.791 1.00 0.00 C ATOM 843 CG ASP A 57 3.694 15.724 12.024 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.380 15.075 13.045 1.00 0.00 O ATOM 845 OD2 ASP A 57 3.700 16.969 11.918 1.00 0.00 O ATOM 0 H ASP A 57 5.104 12.669 11.142 1.00 0.00 H new ATOM 0 HA ASP A 57 2.503 13.574 11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.170 14.678 10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.995 15.550 9.909 1.00 0.00 H new ATOM 850 N ASP A 58 3.750 13.493 8.201 1.00 0.00 N ATOM 851 CA ASP A 58 3.407 13.474 6.789 1.00 0.00 C ATOM 852 C ASP A 58 4.616 13.927 5.969 1.00 0.00 C ATOM 853 O ASP A 58 4.484 14.749 5.064 1.00 0.00 O ATOM 854 CB ASP A 58 2.249 14.428 6.491 1.00 0.00 C ATOM 855 CG ASP A 58 2.259 15.728 7.298 1.00 0.00 C ATOM 856 OD1 ASP A 58 3.330 16.372 7.324 1.00 0.00 O ATOM 857 OD2 ASP A 58 1.194 16.049 7.869 1.00 0.00 O ATOM 0 H ASP A 58 4.746 13.402 8.399 1.00 0.00 H new ATOM 0 HA ASP A 58 3.113 12.458 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.266 14.676 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.311 13.907 6.681 1.00 0.00 H new ATOM 862 N LYS A 59 5.768 13.370 6.314 1.00 0.00 N ATOM 863 CA LYS A 59 7.000 13.707 5.621 1.00 0.00 C ATOM 864 C LYS A 59 7.356 12.581 4.648 1.00 0.00 C ATOM 865 O LYS A 59 7.659 11.466 5.068 1.00 0.00 O ATOM 866 CB LYS A 59 8.109 14.026 6.625 1.00 0.00 C ATOM 867 CG LYS A 59 9.491 13.817 6.000 1.00 0.00 C ATOM 868 CD LYS A 59 10.594 14.346 6.919 1.00 0.00 C ATOM 869 CE LYS A 59 11.974 13.905 6.429 1.00 0.00 C ATOM 870 NZ LYS A 59 12.904 13.749 7.570 1.00 0.00 N ATOM 0 H LYS A 59 5.874 12.687 7.065 1.00 0.00 H new ATOM 0 HA LYS A 59 6.869 14.612 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.012 15.057 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.003 13.390 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.651 12.756 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.539 14.326 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.549 15.434 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.432 13.983 7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.890 12.962 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.369 14.640 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.836 13.449 7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.997 14.657 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.533 13.031 8.225 1.00 0.00 H new ATOM 884 N PHE A 60 7.308 12.913 3.366 1.00 0.00 N ATOM 885 CA PHE A 60 7.622 11.944 2.330 1.00 0.00 C ATOM 886 C PHE A 60 9.051 11.420 2.484 1.00 0.00 C ATOM 887 O PHE A 60 9.975 12.191 2.737 1.00 0.00 O ATOM 888 CB PHE A 60 7.499 12.668 0.988 1.00 0.00 C ATOM 889 CG PHE A 60 7.995 11.852 -0.207 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.479 10.617 -0.448 1.00 0.00 C ATOM 891 CD2 PHE A 60 8.951 12.362 -1.029 1.00 0.00 C ATOM 892 CE1 PHE A 60 7.939 9.860 -1.558 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.412 11.604 -2.138 1.00 0.00 C ATOM 894 CZ PHE A 60 8.896 10.369 -2.379 1.00 0.00 C ATOM 0 H PHE A 60 7.056 13.839 3.021 1.00 0.00 H new ATOM 0 HA PHE A 60 6.943 11.094 2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.455 12.934 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.062 13.600 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.720 10.212 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.360 13.343 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.529 8.880 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.172 12.008 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.246 9.793 -3.222 1.00 0.00 H new ATOM 904 N TYR A 61 9.187 10.111 2.326 1.00 0.00 N ATOM 905 CA TYR A 61 10.488 9.475 2.444 1.00 0.00 C ATOM 906 C TYR A 61 10.989 8.992 1.081 1.00 0.00 C ATOM 907 O TYR A 61 11.933 9.554 0.528 1.00 0.00 O ATOM 908 CB TYR A 61 10.284 8.265 3.357 1.00 0.00 C ATOM 909 CG TYR A 61 10.406 8.582 4.849 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.392 9.894 5.278 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.530 7.558 5.765 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.507 10.193 6.682 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.645 7.857 7.169 1.00 0.00 C ATOM 914 CZ TYR A 61 10.628 9.160 7.558 1.00 0.00 C ATOM 915 OH TYR A 61 10.737 9.442 8.884 1.00 0.00 O ATOM 0 H TYR A 61 8.418 9.474 2.117 1.00 0.00 H new ATOM 0 HA TYR A 61 11.224 10.177 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.298 7.841 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.016 7.500 3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.295 10.696 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.541 6.532 5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.497 11.215 7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.743 7.065 7.896 1.00 0.00 H new ATOM 0 HH TYR A 61 10.815 8.607 9.391 1.00 0.00 H new ATOM 925 N SER A 62 10.333 7.956 0.579 1.00 0.00 N ATOM 926 CA SER A 62 10.700 7.391 -0.708 1.00 0.00 C ATOM 927 C SER A 62 9.454 6.865 -1.423 1.00 0.00 C ATOM 928 O SER A 62 8.340 7.006 -0.920 1.00 0.00 O ATOM 929 CB SER A 62 11.731 6.272 -0.546 1.00 0.00 C ATOM 930 OG SER A 62 12.269 5.856 -1.798 1.00 0.00 O ATOM 0 H SER A 62 9.550 7.493 1.040 1.00 0.00 H new ATOM 0 HA SER A 62 11.152 8.179 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.539 6.615 0.100 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.266 5.420 -0.050 1.00 0.00 H new ATOM 0 HG SER A 62 12.924 5.142 -1.652 1.00 0.00 H new ATOM 936 N LYS A 63 9.683 6.268 -2.584 1.00 0.00 N ATOM 937 CA LYS A 63 8.593 5.720 -3.372 1.00 0.00 C ATOM 938 C LYS A 63 8.765 4.204 -3.487 1.00 0.00 C ATOM 939 O LYS A 63 9.885 3.710 -3.609 1.00 0.00 O ATOM 940 CB LYS A 63 8.497 6.432 -4.723 1.00 0.00 C ATOM 941 CG LYS A 63 8.431 7.950 -4.539 1.00 0.00 C ATOM 942 CD LYS A 63 7.473 8.584 -5.549 1.00 0.00 C ATOM 943 CE LYS A 63 8.028 9.909 -6.074 1.00 0.00 C ATOM 944 NZ LYS A 63 8.942 9.673 -7.214 1.00 0.00 N ATOM 0 H LYS A 63 10.608 6.152 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 63 7.638 5.897 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.360 6.174 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.612 6.088 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.103 8.183 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.426 8.378 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.310 7.899 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.503 8.752 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.208 10.556 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.559 10.429 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.310 10.583 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.734 9.074 -6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.425 9.196 -7.980 1.00 0.00 H new ATOM 958 N LEU A 64 7.638 3.508 -3.444 1.00 0.00 N ATOM 959 CA LEU A 64 7.650 2.058 -3.542 1.00 0.00 C ATOM 960 C LEU A 64 7.512 1.650 -5.010 1.00 0.00 C ATOM 961 O LEU A 64 6.566 0.954 -5.378 1.00 0.00 O ATOM 962 CB LEU A 64 6.581 1.451 -2.631 1.00 0.00 C ATOM 963 CG LEU A 64 6.769 1.681 -1.130 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.184 2.179 -0.825 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.698 2.626 -0.582 1.00 0.00 C ATOM 0 H LEU A 64 6.711 3.921 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 64 8.601 1.659 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.612 1.856 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.545 0.377 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 64 6.647 0.726 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.291 2.335 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.910 1.438 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.359 3.120 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.854 2.773 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.764 3.586 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.711 2.193 -0.748 1.00 0.00 H new ATOM 977 N ASP A 65 8.468 2.099 -5.809 1.00 0.00 N ATOM 978 CA ASP A 65 8.465 1.788 -7.228 1.00 0.00 C ATOM 979 C ASP A 65 8.825 0.314 -7.424 1.00 0.00 C ATOM 980 O ASP A 65 8.085 -0.429 -8.067 1.00 0.00 O ATOM 981 CB ASP A 65 9.498 2.631 -7.979 1.00 0.00 C ATOM 982 CG ASP A 65 9.690 2.259 -9.450 1.00 0.00 C ATOM 983 OD1 ASP A 65 8.658 2.031 -10.117 1.00 0.00 O ATOM 984 OD2 ASP A 65 10.865 2.212 -9.875 1.00 0.00 O ATOM 0 H ASP A 65 9.250 2.676 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 65 7.470 2.004 -7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.202 3.678 -7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.457 2.542 -7.469 1.00 0.00 H new ATOM 989 N GLN A 66 9.962 -0.064 -6.859 1.00 0.00 N ATOM 990 CA GLN A 66 10.430 -1.436 -6.964 1.00 0.00 C ATOM 991 C GLN A 66 9.270 -2.410 -6.743 1.00 0.00 C ATOM 992 O GLN A 66 8.571 -2.330 -5.734 1.00 0.00 O ATOM 993 CB GLN A 66 11.567 -1.705 -5.977 1.00 0.00 C ATOM 994 CG GLN A 66 12.806 -2.237 -6.700 1.00 0.00 C ATOM 995 CD GLN A 66 13.734 -1.092 -7.113 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.407 -0.264 -7.947 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.906 -1.092 -6.484 1.00 0.00 N ATOM 0 H GLN A 66 10.573 0.556 -6.327 1.00 0.00 H new ATOM 0 HA GLN A 66 10.822 -1.590 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.818 -0.787 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.240 -2.427 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.342 -2.928 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.503 -2.800 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.116 -1.815 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.595 -0.369 -6.689 1.00 0.00 H new ATOM 1006 N GLU A 67 9.102 -3.308 -7.703 1.00 0.00 N ATOM 1007 CA GLU A 67 8.040 -4.296 -7.626 1.00 0.00 C ATOM 1008 C GLU A 67 8.563 -5.589 -6.996 1.00 0.00 C ATOM 1009 O GLU A 67 7.847 -6.253 -6.248 1.00 0.00 O ATOM 1010 CB GLU A 67 7.438 -4.563 -9.007 1.00 0.00 C ATOM 1011 CG GLU A 67 8.209 -5.663 -9.738 1.00 0.00 C ATOM 1012 CD GLU A 67 8.008 -5.561 -11.251 1.00 0.00 C ATOM 1013 OE1 GLU A 67 6.863 -5.808 -11.689 1.00 0.00 O ATOM 1014 OE2 GLU A 67 9.003 -5.239 -11.936 1.00 0.00 O ATOM 0 H GLU A 67 9.684 -3.372 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 67 7.247 -3.900 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.393 -4.855 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.455 -3.647 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.270 -5.586 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.875 -6.640 -9.388 1.00 0.00 H new ATOM 1021 N ASP A 68 9.807 -5.908 -7.323 1.00 0.00 N ATOM 1022 CA ASP A 68 10.433 -7.109 -6.799 1.00 0.00 C ATOM 1023 C ASP A 68 10.690 -6.933 -5.301 1.00 0.00 C ATOM 1024 O ASP A 68 11.069 -7.883 -4.617 1.00 0.00 O ATOM 1025 CB ASP A 68 11.777 -7.372 -7.481 1.00 0.00 C ATOM 1026 CG ASP A 68 11.898 -8.734 -8.168 1.00 0.00 C ATOM 1027 OD1 ASP A 68 10.936 -9.098 -8.879 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.949 -9.380 -7.968 1.00 0.00 O ATOM 0 H ASP A 68 10.398 -5.355 -7.944 1.00 0.00 H new ATOM 0 HA ASP A 68 9.763 -7.948 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.950 -6.592 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.568 -7.286 -6.736 1.00 0.00 H new ATOM 1033 N ALA A 69 10.474 -5.712 -4.835 1.00 0.00 N ATOM 1034 CA ALA A 69 10.678 -5.400 -3.431 1.00 0.00 C ATOM 1035 C ALA A 69 9.518 -5.972 -2.612 1.00 0.00 C ATOM 1036 O ALA A 69 8.584 -6.545 -3.170 1.00 0.00 O ATOM 1037 CB ALA A 69 10.821 -3.886 -3.260 1.00 0.00 C ATOM 0 H ALA A 69 10.160 -4.927 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 69 11.597 -5.858 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.974 -3.652 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.675 -3.534 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.916 -3.393 -3.614 1.00 0.00 H new ATOM 1043 N LEU A 70 9.617 -5.796 -1.303 1.00 0.00 N ATOM 1044 CA LEU A 70 8.589 -6.287 -0.402 1.00 0.00 C ATOM 1045 C LEU A 70 8.333 -5.247 0.690 1.00 0.00 C ATOM 1046 O LEU A 70 9.204 -4.432 0.992 1.00 0.00 O ATOM 1047 CB LEU A 70 8.966 -7.668 0.140 1.00 0.00 C ATOM 1048 CG LEU A 70 9.533 -8.657 -0.880 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.503 -9.635 -0.215 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.409 -9.381 -1.625 1.00 0.00 C ATOM 0 H LEU A 70 10.394 -5.320 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 70 7.649 -6.425 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.700 -7.536 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.080 -8.112 0.594 1.00 0.00 H new ATOM 0 HG LEU A 70 10.101 -8.095 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.891 -10.327 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.329 -9.081 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.981 -10.195 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.839 -10.078 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.794 -9.929 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.792 -8.652 -2.151 1.00 0.00 H new ATOM 1062 N LEU A 71 7.135 -5.308 1.253 1.00 0.00 N ATOM 1063 CA LEU A 71 6.755 -4.381 2.305 1.00 0.00 C ATOM 1064 C LEU A 71 7.544 -4.706 3.575 1.00 0.00 C ATOM 1065 O LEU A 71 7.253 -5.688 4.257 1.00 0.00 O ATOM 1066 CB LEU A 71 5.238 -4.390 2.504 1.00 0.00 C ATOM 1067 CG LEU A 71 4.501 -3.110 2.105 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.988 -3.276 2.262 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.030 -1.906 2.887 1.00 0.00 C ATOM 0 H LEU A 71 6.415 -5.985 1.000 1.00 0.00 H new ATOM 0 HA LEU A 71 7.011 -3.359 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.821 -5.219 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.031 -4.592 3.555 1.00 0.00 H new ATOM 0 HG LEU A 71 4.696 -2.919 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.489 -2.352 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.643 -4.090 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.753 -3.504 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.489 -1.009 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.886 -2.074 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.092 -1.776 2.680 1.00 0.00 H new ATOM 1081 N GLY A 72 8.526 -3.862 3.855 1.00 0.00 N ATOM 1082 CA GLY A 72 9.359 -4.047 5.031 1.00 0.00 C ATOM 1083 C GLY A 72 10.785 -3.554 4.777 1.00 0.00 C ATOM 1084 O GLY A 72 11.362 -2.856 5.609 1.00 0.00 O ATOM 0 H GLY A 72 8.764 -3.048 3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.929 -3.507 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.379 -5.102 5.305 1.00 0.00 H new ATOM 1088 N SER A 73 11.312 -3.936 3.623 1.00 0.00 N ATOM 1089 CA SER A 73 12.659 -3.541 3.248 1.00 0.00 C ATOM 1090 C SER A 73 12.776 -2.016 3.247 1.00 0.00 C ATOM 1091 O SER A 73 13.874 -1.474 3.363 1.00 0.00 O ATOM 1092 CB SER A 73 13.037 -4.104 1.876 1.00 0.00 C ATOM 1093 OG SER A 73 12.910 -3.127 0.846 1.00 0.00 O ATOM 0 H SER A 73 10.830 -4.515 2.935 1.00 0.00 H new ATOM 0 HA SER A 73 13.352 -3.951 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.063 -4.470 1.904 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.400 -4.958 1.646 1.00 0.00 H new ATOM 0 HG SER A 73 13.161 -3.524 -0.014 1.00 0.00 H new ATOM 1099 N TYR A 74 11.629 -1.366 3.114 1.00 0.00 N ATOM 1100 CA TYR A 74 11.589 0.086 3.096 1.00 0.00 C ATOM 1101 C TYR A 74 11.378 0.646 4.504 1.00 0.00 C ATOM 1102 O TYR A 74 11.009 -0.088 5.419 1.00 0.00 O ATOM 1103 CB TYR A 74 10.390 0.464 2.224 1.00 0.00 C ATOM 1104 CG TYR A 74 10.641 0.316 0.722 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.365 1.276 0.046 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.143 -0.778 0.045 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.601 1.137 -1.368 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.379 -0.918 -1.369 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.097 0.046 -2.006 1.00 0.00 C ATOM 1110 OH TYR A 74 11.320 -0.085 -3.341 1.00 0.00 O ATOM 0 H TYR A 74 10.720 -1.819 3.018 1.00 0.00 H new ATOM 0 HA TYR A 74 12.527 0.491 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.540 -0.159 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.111 1.496 2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.755 2.132 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.576 -1.529 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.165 1.882 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.995 -1.769 -1.911 1.00 0.00 H new ATOM 0 HH TYR A 74 12.285 -0.103 -3.511 1.00 0.00 H new ATOM 1120 N PRO A 75 11.627 1.977 4.637 1.00 0.00 N ATOM 1121 CA PRO A 75 11.468 2.644 5.918 1.00 0.00 C ATOM 1122 C PRO A 75 9.989 2.853 6.247 1.00 0.00 C ATOM 1123 O PRO A 75 9.559 3.977 6.501 1.00 0.00 O ATOM 1124 CB PRO A 75 12.236 3.948 5.780 1.00 0.00 C ATOM 1125 CG PRO A 75 12.405 4.177 4.287 1.00 0.00 C ATOM 1126 CD PRO A 75 12.066 2.878 3.575 1.00 0.00 C ATOM 0 HA PRO A 75 11.855 2.056 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.692 4.772 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.204 3.886 6.277 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.751 4.980 3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.427 4.481 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.282 3.026 2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.932 2.477 3.048 1.00 0.00 H new ATOM 1134 N VAL A 76 9.251 1.753 6.232 1.00 0.00 N ATOM 1135 CA VAL A 76 7.829 1.801 6.526 1.00 0.00 C ATOM 1136 C VAL A 76 7.537 0.942 7.757 1.00 0.00 C ATOM 1137 O VAL A 76 8.393 0.180 8.204 1.00 0.00 O ATOM 1138 CB VAL A 76 7.025 1.375 5.295 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.133 -0.134 5.066 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.563 1.808 5.418 1.00 0.00 C ATOM 0 H VAL A 76 9.611 0.822 6.021 1.00 0.00 H new ATOM 0 HA VAL A 76 7.522 2.820 6.761 1.00 0.00 H new ATOM 0 HB VAL A 76 7.450 1.877 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.553 -0.411 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.178 -0.405 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.745 -0.663 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.014 1.493 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.120 1.347 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.511 2.893 5.510 1.00 0.00 H new ATOM 1150 N ASP A 77 6.325 1.094 8.272 1.00 0.00 N ATOM 1151 CA ASP A 77 5.910 0.341 9.443 1.00 0.00 C ATOM 1152 C ASP A 77 4.412 0.548 9.673 1.00 0.00 C ATOM 1153 O ASP A 77 3.808 1.444 9.085 1.00 0.00 O ATOM 1154 CB ASP A 77 6.651 0.816 10.695 1.00 0.00 C ATOM 1155 CG ASP A 77 7.957 0.078 10.993 1.00 0.00 C ATOM 1156 OD1 ASP A 77 8.136 -1.015 10.413 1.00 0.00 O ATOM 1157 OD2 ASP A 77 8.746 0.622 11.795 1.00 0.00 O ATOM 0 H ASP A 77 5.618 1.727 7.899 1.00 0.00 H new ATOM 0 HA ASP A 77 6.138 -0.710 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.868 1.879 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.988 0.710 11.553 1.00 0.00 H new ATOM 1162 N ASP A 78 3.855 -0.295 10.530 1.00 0.00 N ATOM 1163 CA ASP A 78 2.438 -0.215 10.844 1.00 0.00 C ATOM 1164 C ASP A 78 2.141 1.137 11.496 1.00 0.00 C ATOM 1165 O ASP A 78 2.418 1.334 12.679 1.00 0.00 O ATOM 1166 CB ASP A 78 2.030 -1.314 11.827 1.00 0.00 C ATOM 1167 CG ASP A 78 3.035 -1.586 12.948 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.121 -2.112 12.620 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.695 -1.263 14.106 1.00 0.00 O ATOM 0 H ASP A 78 4.359 -1.037 11.017 1.00 0.00 H new ATOM 0 HA ASP A 78 1.879 -0.335 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.074 -1.043 12.275 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.871 -2.238 11.270 1.00 0.00 H new ATOM 1174 N GLY A 79 1.580 2.033 10.697 1.00 0.00 N ATOM 1175 CA GLY A 79 1.242 3.360 11.182 1.00 0.00 C ATOM 1176 C GLY A 79 1.593 4.429 10.144 1.00 0.00 C ATOM 1177 O GLY A 79 0.997 5.505 10.130 1.00 0.00 O ATOM 0 H GLY A 79 1.351 1.866 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.178 3.407 11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.778 3.559 12.110 1.00 0.00 H new ATOM 1181 N CYS A 80 2.559 4.095 9.301 1.00 0.00 N ATOM 1182 CA CYS A 80 2.996 5.012 8.263 1.00 0.00 C ATOM 1183 C CYS A 80 1.787 5.368 7.396 1.00 0.00 C ATOM 1184 O CYS A 80 0.654 5.033 7.738 1.00 0.00 O ATOM 1185 CB CYS A 80 4.140 4.424 7.434 1.00 0.00 C ATOM 1186 SG CYS A 80 5.747 5.022 8.072 1.00 0.00 S ATOM 0 H CYS A 80 3.051 3.202 9.316 1.00 0.00 H new ATOM 0 HA CYS A 80 3.394 5.919 8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.106 3.335 7.473 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.026 4.709 6.388 1.00 0.00 H new ATOM 0 HG CYS A 80 6.055 6.142 7.489 1.00 0.00 H new ATOM 1192 N ARG A 81 2.069 6.041 6.290 1.00 0.00 N ATOM 1193 CA ARG A 81 1.019 6.446 5.372 1.00 0.00 C ATOM 1194 C ARG A 81 1.445 6.177 3.927 1.00 0.00 C ATOM 1195 O ARG A 81 2.458 6.701 3.467 1.00 0.00 O ATOM 1196 CB ARG A 81 0.690 7.932 5.531 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.581 8.297 4.763 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.680 9.810 4.553 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.030 10.476 5.828 1.00 0.00 N ATOM 1200 CZ ARG A 81 -1.112 11.804 5.984 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.870 12.617 4.947 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -1.437 12.320 7.177 1.00 0.00 N ATOM 0 H ARG A 81 3.010 6.316 6.009 1.00 0.00 H new ATOM 0 HA ARG A 81 0.129 5.862 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.562 8.169 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.524 8.534 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.584 7.791 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.455 7.944 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.268 10.196 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.434 10.032 3.798 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.221 9.887 6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.623 12.225 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.933 13.628 5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.622 11.702 7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.499 13.331 7.295 1.00 0.00 H new ATOM 1216 N ILE A 82 0.649 5.360 3.252 1.00 0.00 N ATOM 1217 CA ILE A 82 0.931 5.015 1.869 1.00 0.00 C ATOM 1218 C ILE A 82 -0.077 5.718 0.957 1.00 0.00 C ATOM 1219 O ILE A 82 -1.238 5.318 0.884 1.00 0.00 O ATOM 1220 CB ILE A 82 0.964 3.496 1.692 1.00 0.00 C ATOM 1221 CG1 ILE A 82 2.022 2.862 2.598 1.00 0.00 C ATOM 1222 CG2 ILE A 82 1.168 3.119 0.223 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.432 3.143 2.074 1.00 0.00 C ATOM 0 H ILE A 82 -0.191 4.927 3.637 1.00 0.00 H new ATOM 0 HA ILE A 82 1.922 5.368 1.583 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.003 3.096 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.921 3.254 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.859 1.786 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.188 2.034 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.349 3.522 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.112 3.532 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.165 2.682 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.537 2.729 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.600 4.219 2.041 1.00 0.00 H new ATOM 1235 N HIS A 83 0.404 6.753 0.284 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.441 7.516 -0.620 1.00 0.00 C ATOM 1237 C HIS A 83 -0.431 6.863 -2.004 1.00 0.00 C ATOM 1238 O HIS A 83 0.608 6.394 -2.466 1.00 0.00 O ATOM 1239 CB HIS A 83 -0.013 8.984 -0.654 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.893 9.860 -1.514 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -2.175 10.228 -1.144 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.662 10.438 -2.728 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.683 10.991 -2.100 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.744 11.120 -3.081 1.00 0.00 N ATOM 0 H HIS A 83 1.368 7.081 0.346 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.469 7.506 -0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.012 9.375 0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.012 9.045 -1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.248 10.355 -3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.668 11.434 -2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.855 11.653 -3.944 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.600 6.855 -2.627 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.739 6.269 -3.949 1.00 0.00 C ATOM 1254 C VAL A 84 -2.042 7.373 -4.964 1.00 0.00 C ATOM 1255 O VAL A 84 -3.154 7.898 -5.002 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.804 5.170 -3.925 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.865 4.436 -5.266 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.557 4.192 -2.775 1.00 0.00 C ATOM 0 H VAL A 84 -2.460 7.245 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.807 5.794 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.771 5.645 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.630 3.660 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.111 5.144 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.897 3.980 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.328 3.421 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.578 3.727 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.588 4.729 -1.827 1.00 0.00 H new ATOM 1268 N ILE A 85 -1.034 7.694 -5.761 1.00 0.00 N ATOM 1269 CA ILE A 85 -1.178 8.726 -6.773 1.00 0.00 C ATOM 1270 C ILE A 85 -1.929 8.153 -7.976 1.00 0.00 C ATOM 1271 O ILE A 85 -1.352 7.424 -8.782 1.00 0.00 O ATOM 1272 CB ILE A 85 0.184 9.325 -7.126 1.00 0.00 C ATOM 1273 CG1 ILE A 85 0.896 9.844 -5.875 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.046 10.409 -8.197 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.386 10.065 -6.144 1.00 0.00 C ATOM 0 H ILE A 85 -0.113 7.257 -5.726 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.774 9.554 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 85 0.806 8.534 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.438 10.779 -5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.772 9.131 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.029 10.818 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.389 9.977 -9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.600 11.205 -7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.868 10.434 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.846 9.123 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.507 10.796 -6.943 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.203 8.505 -8.061 1.00 0.00 N ATOM 1288 CA ASP A 86 -4.039 8.035 -9.153 1.00 0.00 C ATOM 1289 C ASP A 86 -3.370 8.379 -10.485 1.00 0.00 C ATOM 1290 O ASP A 86 -3.498 9.499 -10.978 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.412 8.708 -9.125 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.431 10.113 -8.521 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -5.630 10.199 -7.290 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -5.246 11.070 -9.304 1.00 0.00 O ATOM 0 H ASP A 86 -3.677 9.111 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.164 6.958 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.794 8.762 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.098 8.077 -8.560 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.671 7.395 -11.032 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.982 7.579 -12.297 1.00 0.00 C ATOM 1301 C HIS A 87 -2.890 7.133 -13.446 1.00 0.00 C ATOM 1302 O HIS A 87 -2.412 6.831 -14.538 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.633 6.856 -12.293 1.00 0.00 C ATOM 1304 CG HIS A 87 0.556 7.777 -12.164 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.594 9.038 -12.734 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.750 7.608 -11.526 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.762 9.593 -12.446 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.477 8.705 -11.697 1.00 0.00 N ATOM 0 H HIS A 87 -2.567 6.467 -10.621 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.761 8.636 -12.443 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.617 6.142 -11.470 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.537 6.282 -13.215 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.052 6.730 -10.975 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.090 10.576 -12.751 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.416 8.859 -11.329 1.00 0.00 H new ATOM 1316 N SER A 88 -4.183 7.106 -13.159 1.00 0.00 N ATOM 1317 CA SER A 88 -5.162 6.701 -14.153 1.00 0.00 C ATOM 1318 C SER A 88 -5.993 7.909 -14.591 1.00 0.00 C ATOM 1319 O SER A 88 -7.133 7.758 -15.026 1.00 0.00 O ATOM 1320 CB SER A 88 -6.073 5.598 -13.613 1.00 0.00 C ATOM 1321 OG SER A 88 -5.521 4.967 -12.460 1.00 0.00 O ATOM 0 H SER A 88 -4.575 7.358 -12.252 1.00 0.00 H new ATOM 0 HA SER A 88 -4.628 6.303 -15.016 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.046 6.021 -13.364 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.239 4.852 -14.390 1.00 0.00 H new ATOM 0 HG SER A 88 -5.940 5.334 -11.654 1.00 0.00 H new ATOM 1327 N GLY A 89 -5.389 9.081 -14.460 1.00 0.00 N ATOM 1328 CA GLY A 89 -6.059 10.315 -14.836 1.00 0.00 C ATOM 1329 C GLY A 89 -5.046 11.426 -15.116 1.00 0.00 C ATOM 1330 O GLY A 89 -4.965 12.400 -14.370 1.00 0.00 O ATOM 0 H GLY A 89 -4.443 9.202 -14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.672 10.145 -15.721 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.733 10.625 -14.037 1.00 0.00 H new ATOM 1334 N SER A 90 -4.297 11.242 -16.194 1.00 0.00 N ATOM 1335 CA SER A 90 -3.292 12.217 -16.583 1.00 0.00 C ATOM 1336 C SER A 90 -2.763 11.895 -17.981 1.00 0.00 C ATOM 1337 O SER A 90 -1.836 11.100 -18.130 1.00 0.00 O ATOM 1338 CB SER A 90 -2.142 12.253 -15.575 1.00 0.00 C ATOM 1339 OG SER A 90 -1.921 13.564 -15.063 1.00 0.00 O ATOM 0 H SER A 90 -4.366 10.432 -16.810 1.00 0.00 H new ATOM 0 HA SER A 90 -3.758 13.202 -16.597 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.361 11.574 -14.751 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.231 11.892 -16.052 1.00 0.00 H new ATOM 0 HG SER A 90 -1.180 13.544 -14.422 1.00 0.00 H new ATOM 1345 N GLY A 91 -3.375 12.528 -18.971 1.00 0.00 N ATOM 1346 CA GLY A 91 -2.977 12.318 -20.353 1.00 0.00 C ATOM 1347 C GLY A 91 -3.513 10.986 -20.882 1.00 0.00 C ATOM 1348 O GLY A 91 -2.904 9.939 -20.667 1.00 0.00 O ATOM 0 H GLY A 91 -4.144 13.186 -18.844 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.350 13.135 -20.971 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.890 12.332 -20.428 1.00 0.00 H new ATOM 1352 N PRO A 92 -4.676 11.071 -21.581 1.00 0.00 N ATOM 1353 CA PRO A 92 -5.301 9.885 -22.142 1.00 0.00 C ATOM 1354 C PRO A 92 -4.549 9.405 -23.385 1.00 0.00 C ATOM 1355 O PRO A 92 -4.432 10.139 -24.366 1.00 0.00 O ATOM 1356 CB PRO A 92 -6.734 10.297 -22.437 1.00 0.00 C ATOM 1357 CG PRO A 92 -6.733 11.817 -22.465 1.00 0.00 C ATOM 1358 CD PRO A 92 -5.425 12.294 -21.855 1.00 0.00 C ATOM 0 HA PRO A 92 -5.278 9.035 -21.460 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.069 9.889 -23.391 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.414 9.921 -21.673 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.832 12.180 -23.488 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.581 12.210 -21.904 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.883 12.945 -22.540 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.598 12.865 -20.943 1.00 0.00 H new ATOM 1366 N SER A 93 -4.058 8.177 -23.303 1.00 0.00 N ATOM 1367 CA SER A 93 -3.320 7.591 -24.409 1.00 0.00 C ATOM 1368 C SER A 93 -2.015 8.358 -24.633 1.00 0.00 C ATOM 1369 O SER A 93 -1.901 9.521 -24.250 1.00 0.00 O ATOM 1370 CB SER A 93 -4.159 7.586 -25.689 1.00 0.00 C ATOM 1371 OG SER A 93 -3.775 6.538 -26.575 1.00 0.00 O ATOM 0 H SER A 93 -4.157 7.572 -22.488 1.00 0.00 H new ATOM 0 HA SER A 93 -3.087 6.557 -24.155 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.212 7.475 -25.432 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.054 8.546 -26.195 1.00 0.00 H new ATOM 0 HG SER A 93 -4.335 6.568 -27.379 1.00 0.00 H new ATOM 1377 N SER A 94 -1.064 7.674 -25.251 1.00 0.00 N ATOM 1378 CA SER A 94 0.229 8.276 -25.530 1.00 0.00 C ATOM 1379 C SER A 94 0.822 7.675 -26.806 1.00 0.00 C ATOM 1380 O SER A 94 1.099 8.394 -27.765 1.00 0.00 O ATOM 1381 CB SER A 94 1.191 8.084 -24.356 1.00 0.00 C ATOM 1382 OG SER A 94 2.294 8.984 -24.416 1.00 0.00 O ATOM 0 H SER A 94 -1.163 6.709 -25.566 1.00 0.00 H new ATOM 0 HA SER A 94 0.084 9.347 -25.674 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.654 8.231 -23.419 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.560 7.058 -24.354 1.00 0.00 H new ATOM 0 HG SER A 94 2.884 8.831 -23.648 1.00 0.00 H new ATOM 1388 N GLY A 95 1.000 6.363 -26.777 1.00 0.00 N ATOM 1389 CA GLY A 95 1.555 5.657 -27.919 1.00 0.00 C ATOM 1390 C GLY A 95 2.973 6.140 -28.226 1.00 0.00 C ATOM 1391 O GLY A 95 3.172 6.972 -29.110 1.00 0.00 O ATOM 0 H GLY A 95 0.770 5.770 -25.980 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.568 4.586 -27.718 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.918 5.810 -28.790 1.00 0.00 H new TER 1395 GLY A 95