USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 78 MET CE :methyl 161:sc= -0.0189 (180deg=-0.473) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0.24) USER MOD Set 1.3: A 88 THR OG1 : rot -61:sc= 2.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.49 (180deg=2.27) USER MOD Single : A 7 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.0051) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.893 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.275 X(o=0.28,f=-0.0072) USER MOD Single : A 18 SER OG : rot -123:sc= 1.45 USER MOD Single : A 19 SER OG : rot 180:sc= 0.185 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 175:sc=-0.00067 (180deg=-0.0499) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.0463 (180deg=-0.72) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : A 54 CYS SG : rot -147:sc= -0.207 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 0.931 (180deg=0.767) USER MOD Single : A 58 ASN : amide:sc= 0.253 K(o=0.25,f=-11!) USER MOD Single : A 59 THR OG1 : rot 85:sc= 1.06 USER MOD Single : A 62 SER OG : rot 82:sc= 0.569 USER MOD Single : A 64 ASN : amide:sc= 0.205 X(o=0.2,f=-0.062) USER MOD Single : A 67 SER OG : rot 74:sc= 1.2 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 133:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ -167:sc=-0.00183 (180deg=-0.102) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 37:sc= -0.189 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 88:sc= 0.997 USER MOD Single : A 100 GLN : amide:sc= 1.07 K(o=1.1,f=-0.082) USER MOD Single : A 101 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.903 K(o=0.9,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.491 -2.759 -11.392 1.00 0.00 N ATOM 2 CA MET A 1 -1.344 -2.661 -12.589 1.00 0.00 C ATOM 3 C MET A 1 -2.745 -2.364 -12.079 1.00 0.00 C ATOM 4 O MET A 1 -3.182 -3.084 -11.192 1.00 0.00 O ATOM 5 CB MET A 1 -1.287 -3.965 -13.397 1.00 0.00 C ATOM 6 CG MET A 1 -2.123 -3.899 -14.680 1.00 0.00 C ATOM 7 SD MET A 1 -2.011 -5.388 -15.702 1.00 0.00 S ATOM 8 CE MET A 1 -3.163 -4.943 -17.020 1.00 0.00 C ATOM 0 H1 MET A 1 0.507 -2.810 -11.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.636 -1.921 -10.793 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.741 -3.615 -10.857 1.00 0.00 H new ATOM 0 HA MET A 1 -1.011 -1.875 -13.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.251 -4.184 -13.654 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.643 -4.788 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.166 -3.730 -14.414 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.801 -3.040 -15.269 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.218 -5.755 -17.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.152 -4.769 -16.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.816 -4.036 -17.516 1.00 0.00 H new ATOM 20 N GLU A 2 -3.409 -1.303 -12.552 1.00 0.00 N ATOM 21 CA GLU A 2 -4.622 -0.757 -11.937 1.00 0.00 C ATOM 22 C GLU A 2 -4.131 -0.084 -10.651 1.00 0.00 C ATOM 23 O GLU A 2 -4.120 1.138 -10.537 1.00 0.00 O ATOM 24 CB GLU A 2 -5.729 -1.798 -11.679 1.00 0.00 C ATOM 25 CG GLU A 2 -6.094 -2.652 -12.898 1.00 0.00 C ATOM 26 CD GLU A 2 -7.040 -3.777 -12.485 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.255 -3.498 -12.406 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.524 -4.888 -12.233 1.00 0.00 O ATOM 0 H GLU A 2 -3.114 -0.793 -13.385 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.116 -0.058 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.410 -2.457 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.624 -1.280 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.566 -2.031 -13.659 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.191 -3.070 -13.343 1.00 0.00 H new ATOM 35 N ALA A 3 -3.657 -0.903 -9.713 1.00 0.00 N ATOM 36 CA ALA A 3 -2.953 -0.455 -8.535 1.00 0.00 C ATOM 37 C ALA A 3 -1.608 0.126 -8.980 1.00 0.00 C ATOM 38 O ALA A 3 -0.961 -0.426 -9.882 1.00 0.00 O ATOM 39 CB ALA A 3 -2.707 -1.632 -7.592 1.00 0.00 C ATOM 0 H ALA A 3 -3.759 -1.917 -9.762 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.544 0.296 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.175 -1.284 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.662 -2.066 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.108 -2.387 -8.101 1.00 0.00 H new ATOM 45 N GLY A 4 -1.200 1.223 -8.344 1.00 0.00 N ATOM 46 CA GLY A 4 0.050 1.914 -8.596 1.00 0.00 C ATOM 47 C GLY A 4 1.280 1.058 -8.312 1.00 0.00 C ATOM 48 O GLY A 4 1.235 0.110 -7.531 1.00 0.00 O ATOM 0 H GLY A 4 -1.756 1.666 -7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.074 2.239 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.091 2.813 -7.980 1.00 0.00 H new ATOM 52 N ALA A 5 2.391 1.425 -8.945 1.00 0.00 N ATOM 53 CA ALA A 5 3.708 0.878 -8.691 1.00 0.00 C ATOM 54 C ALA A 5 4.534 2.106 -8.347 1.00 0.00 C ATOM 55 O ALA A 5 4.651 3.006 -9.177 1.00 0.00 O ATOM 56 CB ALA A 5 4.256 0.152 -9.916 1.00 0.00 C ATOM 0 H ALA A 5 2.392 2.138 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 5 3.715 0.130 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.245 -0.246 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.588 -0.667 -10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.327 0.849 -10.751 1.00 0.00 H new ATOM 62 N VAL A 6 5.011 2.182 -7.110 1.00 0.00 N ATOM 63 CA VAL A 6 5.764 3.319 -6.611 1.00 0.00 C ATOM 64 C VAL A 6 7.119 2.864 -6.098 1.00 0.00 C ATOM 65 O VAL A 6 7.384 1.683 -5.870 1.00 0.00 O ATOM 66 CB VAL A 6 4.982 4.082 -5.521 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.010 5.082 -6.142 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.199 3.168 -4.580 1.00 0.00 C ATOM 0 H VAL A 6 4.882 1.444 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 6 5.921 4.013 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 6 5.741 4.599 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.472 5.606 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.564 5.803 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.298 4.552 -6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.674 3.772 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.476 2.588 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.887 2.491 -4.074 1.00 0.00 H new ATOM 78 N ASN A 7 7.978 3.861 -5.932 1.00 0.00 N ATOM 79 CA ASN A 7 9.335 3.750 -5.455 1.00 0.00 C ATOM 80 C ASN A 7 9.596 4.972 -4.596 1.00 0.00 C ATOM 81 O ASN A 7 8.760 5.868 -4.542 1.00 0.00 O ATOM 82 CB ASN A 7 10.308 3.725 -6.639 1.00 0.00 C ATOM 83 CG ASN A 7 10.186 2.436 -7.434 1.00 0.00 C ATOM 84 OD1 ASN A 7 9.708 2.427 -8.562 1.00 0.00 O ATOM 85 ND2 ASN A 7 10.622 1.332 -6.840 1.00 0.00 N ATOM 0 H ASN A 7 7.722 4.826 -6.142 1.00 0.00 H new ATOM 0 HA ASN A 7 9.477 2.831 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.111 4.576 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.329 3.833 -6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.565 0.436 -7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.014 1.380 -5.899 1.00 0.00 H new ATOM 92 N ASP A 8 10.761 5.021 -3.963 1.00 0.00 N ATOM 93 CA ASP A 8 11.174 6.084 -3.054 1.00 0.00 C ATOM 94 C ASP A 8 10.752 7.480 -3.525 1.00 0.00 C ATOM 95 O ASP A 8 10.087 8.219 -2.802 1.00 0.00 O ATOM 96 CB ASP A 8 12.697 5.996 -2.878 1.00 0.00 C ATOM 97 CG ASP A 8 13.106 6.358 -1.461 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.282 7.566 -1.207 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.259 5.409 -0.655 1.00 0.00 O ATOM 0 H ASP A 8 11.470 4.296 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 8 10.667 5.938 -2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.035 4.986 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.187 6.667 -3.584 1.00 0.00 H new ATOM 104 N ASP A 9 11.112 7.819 -4.761 1.00 0.00 N ATOM 105 CA ASP A 9 10.828 9.107 -5.368 1.00 0.00 C ATOM 106 C ASP A 9 9.334 9.271 -5.661 1.00 0.00 C ATOM 107 O ASP A 9 8.691 10.193 -5.164 1.00 0.00 O ATOM 108 CB ASP A 9 11.639 9.231 -6.667 1.00 0.00 C ATOM 109 CG ASP A 9 13.130 9.004 -6.446 1.00 0.00 C ATOM 110 OD1 ASP A 9 13.493 7.817 -6.285 1.00 0.00 O ATOM 111 OD2 ASP A 9 13.871 10.010 -6.441 1.00 0.00 O ATOM 0 H ASP A 9 11.621 7.187 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 9 11.112 9.895 -4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.268 8.508 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.485 10.221 -7.095 1.00 0.00 H new ATOM 116 N THR A 10 8.777 8.379 -6.484 1.00 0.00 N ATOM 117 CA THR A 10 7.397 8.460 -6.945 1.00 0.00 C ATOM 118 C THR A 10 6.408 8.442 -5.776 1.00 0.00 C ATOM 119 O THR A 10 5.385 9.112 -5.843 1.00 0.00 O ATOM 120 CB THR A 10 7.147 7.330 -7.951 1.00 0.00 C ATOM 121 OG1 THR A 10 7.627 6.108 -7.437 1.00 0.00 O ATOM 122 CG2 THR A 10 7.895 7.602 -9.259 1.00 0.00 C ATOM 0 H THR A 10 9.281 7.572 -6.851 1.00 0.00 H new ATOM 0 HA THR A 10 7.233 9.413 -7.447 1.00 0.00 H new ATOM 0 HB THR A 10 6.073 7.278 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.461 5.393 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.706 6.790 -9.962 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.547 8.542 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.965 7.668 -9.060 1.00 0.00 H new ATOM 130 N PHE A 11 6.718 7.707 -4.707 1.00 0.00 N ATOM 131 CA PHE A 11 5.951 7.628 -3.467 1.00 0.00 C ATOM 132 C PHE A 11 5.533 9.020 -3.007 1.00 0.00 C ATOM 133 O PHE A 11 4.385 9.278 -2.657 1.00 0.00 O ATOM 134 CB PHE A 11 6.847 6.994 -2.401 1.00 0.00 C ATOM 135 CG PHE A 11 6.260 6.906 -1.008 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.546 5.762 -0.606 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.480 7.953 -0.093 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.042 5.675 0.704 1.00 0.00 C ATOM 139 CE2 PHE A 11 5.966 7.869 1.210 1.00 0.00 C ATOM 140 CZ PHE A 11 5.262 6.724 1.613 1.00 0.00 C ATOM 0 H PHE A 11 7.553 7.122 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 11 5.052 7.034 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.110 5.988 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.774 7.564 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.385 4.952 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.045 8.822 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.486 4.802 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.112 8.685 1.902 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.889 6.649 2.624 1.00 0.00 H new ATOM 150 N LYS A 12 6.497 9.931 -2.995 1.00 0.00 N ATOM 151 CA LYS A 12 6.228 11.304 -2.592 1.00 0.00 C ATOM 152 C LYS A 12 5.089 11.902 -3.433 1.00 0.00 C ATOM 153 O LYS A 12 4.095 12.384 -2.899 1.00 0.00 O ATOM 154 CB LYS A 12 7.503 12.144 -2.695 1.00 0.00 C ATOM 155 CG LYS A 12 8.632 11.517 -1.860 1.00 0.00 C ATOM 156 CD LYS A 12 9.671 12.550 -1.409 1.00 0.00 C ATOM 157 CE LYS A 12 9.171 13.361 -0.204 1.00 0.00 C ATOM 158 NZ LYS A 12 10.183 14.334 0.243 1.00 0.00 N ATOM 0 H LYS A 12 7.465 9.746 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 12 5.905 11.310 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.813 12.219 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.306 13.158 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.204 11.030 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.126 10.742 -2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.600 12.043 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.897 13.225 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.253 13.884 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.926 12.685 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.817 14.866 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.050 13.831 0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.398 14.993 -0.533 1.00 0.00 H new ATOM 172 N ASN A 13 5.213 11.848 -4.755 1.00 0.00 N ATOM 173 CA ASN A 13 4.200 12.369 -5.669 1.00 0.00 C ATOM 174 C ASN A 13 2.854 11.662 -5.509 1.00 0.00 C ATOM 175 O ASN A 13 1.813 12.291 -5.353 1.00 0.00 O ATOM 176 CB ASN A 13 4.686 12.188 -7.118 1.00 0.00 C ATOM 177 CG ASN A 13 5.403 13.410 -7.697 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.462 13.564 -8.911 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.967 14.287 -6.869 1.00 0.00 N ATOM 0 H ASN A 13 6.021 11.441 -5.225 1.00 0.00 H new ATOM 0 HA ASN A 13 4.055 13.423 -5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.360 11.332 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.830 11.950 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.456 15.100 -7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.910 14.146 -5.860 1.00 0.00 H new ATOM 186 N VAL A 14 2.888 10.340 -5.600 1.00 0.00 N ATOM 187 CA VAL A 14 1.720 9.484 -5.681 1.00 0.00 C ATOM 188 C VAL A 14 0.992 9.322 -4.340 1.00 0.00 C ATOM 189 O VAL A 14 -0.235 9.270 -4.314 1.00 0.00 O ATOM 190 CB VAL A 14 2.209 8.144 -6.261 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.117 7.078 -6.281 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.712 8.331 -7.702 1.00 0.00 C ATOM 0 H VAL A 14 3.764 9.818 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 14 0.964 9.933 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 14 3.014 7.809 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.517 6.155 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.769 6.895 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.284 7.422 -6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.054 7.374 -8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.901 8.710 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.538 9.042 -7.710 1.00 0.00 H new ATOM 202 N VAL A 15 1.732 9.211 -3.237 1.00 0.00 N ATOM 203 CA VAL A 15 1.189 8.950 -1.909 1.00 0.00 C ATOM 204 C VAL A 15 1.060 10.246 -1.108 1.00 0.00 C ATOM 205 O VAL A 15 -0.051 10.660 -0.783 1.00 0.00 O ATOM 206 CB VAL A 15 2.068 7.921 -1.169 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.407 7.487 0.145 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.344 6.691 -2.045 1.00 0.00 C ATOM 0 H VAL A 15 2.748 9.302 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 15 0.189 8.531 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 15 3.019 8.404 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.044 6.761 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.268 8.357 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.439 7.034 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.966 5.985 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.400 6.214 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.862 7.000 -2.953 1.00 0.00 H new ATOM 218 N LEU A 16 2.188 10.878 -0.770 1.00 0.00 N ATOM 219 CA LEU A 16 2.188 12.068 0.075 1.00 0.00 C ATOM 220 C LEU A 16 1.401 13.199 -0.579 1.00 0.00 C ATOM 221 O LEU A 16 0.410 13.680 -0.038 1.00 0.00 O ATOM 222 CB LEU A 16 3.624 12.532 0.353 1.00 0.00 C ATOM 223 CG LEU A 16 4.458 11.581 1.228 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.855 12.182 1.428 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.831 11.341 2.605 1.00 0.00 C ATOM 0 H LEU A 16 3.116 10.580 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 16 1.709 11.807 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.136 12.668 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.587 13.508 0.837 1.00 0.00 H new ATOM 0 HG LEU A 16 4.504 10.622 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.453 11.514 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.339 12.309 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.767 13.151 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.462 10.663 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.742 12.290 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.842 10.900 2.482 1.00 0.00 H new ATOM 237 N GLU A 17 1.821 13.610 -1.768 1.00 0.00 N ATOM 238 CA GLU A 17 1.203 14.710 -2.501 1.00 0.00 C ATOM 239 C GLU A 17 -0.094 14.256 -3.200 1.00 0.00 C ATOM 240 O GLU A 17 -0.355 14.655 -4.334 1.00 0.00 O ATOM 241 CB GLU A 17 2.224 15.251 -3.517 1.00 0.00 C ATOM 242 CG GLU A 17 3.555 15.693 -2.885 1.00 0.00 C ATOM 243 CD GLU A 17 4.611 15.968 -3.953 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.556 17.073 -4.533 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.450 15.066 -4.181 1.00 0.00 O ATOM 0 H GLU A 17 2.609 13.185 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 17 0.924 15.502 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.424 14.481 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.784 16.098 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.396 16.591 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.913 14.918 -2.207 1.00 0.00 H new ATOM 252 N SER A 18 -0.909 13.432 -2.530 1.00 0.00 N ATOM 253 CA SER A 18 -2.194 12.968 -3.041 1.00 0.00 C ATOM 254 C SER A 18 -3.296 13.943 -2.605 1.00 0.00 C ATOM 255 O SER A 18 -3.036 15.027 -2.087 1.00 0.00 O ATOM 256 CB SER A 18 -2.476 11.537 -2.539 1.00 0.00 C ATOM 257 OG SER A 18 -3.656 11.008 -3.131 1.00 0.00 O ATOM 0 H SER A 18 -0.686 13.066 -1.604 1.00 0.00 H new ATOM 0 HA SER A 18 -2.171 12.939 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.628 10.893 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.582 11.543 -1.454 1.00 0.00 H new ATOM 0 HG SER A 18 -4.282 10.738 -2.427 1.00 0.00 H new ATOM 263 N SER A 19 -4.542 13.523 -2.817 1.00 0.00 N ATOM 264 CA SER A 19 -5.773 14.207 -2.457 1.00 0.00 C ATOM 265 C SER A 19 -6.657 13.179 -1.753 1.00 0.00 C ATOM 266 O SER A 19 -6.888 13.251 -0.547 1.00 0.00 O ATOM 267 CB SER A 19 -6.433 14.748 -3.731 1.00 0.00 C ATOM 268 OG SER A 19 -6.427 13.751 -4.740 1.00 0.00 O ATOM 0 H SER A 19 -4.726 12.632 -3.278 1.00 0.00 H new ATOM 0 HA SER A 19 -5.599 15.055 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.457 15.056 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.900 15.633 -4.079 1.00 0.00 H new ATOM 0 HG SER A 19 -6.852 14.103 -5.550 1.00 0.00 H new ATOM 274 N VAL A 20 -7.082 12.173 -2.518 1.00 0.00 N ATOM 275 CA VAL A 20 -7.878 11.063 -2.012 1.00 0.00 C ATOM 276 C VAL A 20 -6.938 10.100 -1.277 1.00 0.00 C ATOM 277 O VAL A 20 -5.726 10.113 -1.524 1.00 0.00 O ATOM 278 CB VAL A 20 -8.582 10.290 -3.151 1.00 0.00 C ATOM 279 CG1 VAL A 20 -10.043 10.718 -3.306 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.845 10.371 -4.497 1.00 0.00 C ATOM 0 H VAL A 20 -6.879 12.109 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.647 11.463 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.557 9.243 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.504 10.153 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.579 10.524 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.088 11.783 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.396 9.806 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.770 11.413 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.845 9.952 -4.390 1.00 0.00 H new ATOM 290 N PRO A 21 -7.476 9.286 -0.352 1.00 0.00 N ATOM 291 CA PRO A 21 -6.692 8.302 0.366 1.00 0.00 C ATOM 292 C PRO A 21 -5.945 7.357 -0.564 1.00 0.00 C ATOM 293 O PRO A 21 -6.279 7.198 -1.737 1.00 0.00 O ATOM 294 CB PRO A 21 -7.659 7.533 1.260 1.00 0.00 C ATOM 295 CG PRO A 21 -8.796 8.523 1.472 1.00 0.00 C ATOM 296 CD PRO A 21 -8.823 9.363 0.192 1.00 0.00 C ATOM 0 HA PRO A 21 -5.922 8.804 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.006 6.616 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.194 7.245 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.744 8.009 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.621 9.145 2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.555 8.975 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.102 10.395 0.406 1.00 0.00 H new ATOM 304 N VAL A 22 -4.929 6.711 -0.002 1.00 0.00 N ATOM 305 CA VAL A 22 -4.002 5.854 -0.698 1.00 0.00 C ATOM 306 C VAL A 22 -3.690 4.635 0.170 1.00 0.00 C ATOM 307 O VAL A 22 -3.519 4.771 1.384 1.00 0.00 O ATOM 308 CB VAL A 22 -2.722 6.658 -0.982 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.836 5.901 -1.961 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.994 8.069 -1.527 1.00 0.00 C ATOM 0 H VAL A 22 -4.728 6.780 0.996 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.429 5.507 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.218 6.778 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.932 6.479 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.565 4.935 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.376 5.746 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.047 8.579 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.549 7.997 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.579 8.633 -0.801 1.00 0.00 H new ATOM 320 N LEU A 23 -3.611 3.456 -0.455 1.00 0.00 N ATOM 321 CA LEU A 23 -3.215 2.205 0.184 1.00 0.00 C ATOM 322 C LEU A 23 -1.895 1.807 -0.458 1.00 0.00 C ATOM 323 O LEU A 23 -1.869 1.574 -1.662 1.00 0.00 O ATOM 324 CB LEU A 23 -4.292 1.128 -0.019 1.00 0.00 C ATOM 325 CG LEU A 23 -3.993 -0.202 0.698 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.297 -0.969 0.944 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.059 -1.119 -0.110 1.00 0.00 C ATOM 0 H LEU A 23 -3.827 3.347 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.102 2.320 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.248 1.513 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.403 0.936 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.500 0.061 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.077 -1.908 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.961 -0.368 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.782 -1.177 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.884 -2.041 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.521 -1.355 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.109 -0.612 -0.280 1.00 0.00 H new ATOM 339 N VAL A 24 -0.808 1.740 0.311 1.00 0.00 N ATOM 340 CA VAL A 24 0.510 1.405 -0.214 1.00 0.00 C ATOM 341 C VAL A 24 0.934 0.043 0.318 1.00 0.00 C ATOM 342 O VAL A 24 1.116 -0.105 1.526 1.00 0.00 O ATOM 343 CB VAL A 24 1.521 2.489 0.189 1.00 0.00 C ATOM 344 CG1 VAL A 24 2.915 2.165 -0.365 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.092 3.872 -0.320 1.00 0.00 C ATOM 0 H VAL A 24 -0.820 1.917 1.315 1.00 0.00 H new ATOM 0 HA VAL A 24 0.474 1.359 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 24 1.554 2.507 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.615 2.946 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.250 1.207 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.871 2.112 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.829 4.616 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.020 3.853 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.121 4.130 0.103 1.00 0.00 H new ATOM 355 N ASP A 25 1.098 -0.944 -0.567 1.00 0.00 N ATOM 356 CA ASP A 25 1.572 -2.258 -0.154 1.00 0.00 C ATOM 357 C ASP A 25 3.094 -2.268 -0.245 1.00 0.00 C ATOM 358 O ASP A 25 3.641 -2.194 -1.344 1.00 0.00 O ATOM 359 CB ASP A 25 0.958 -3.365 -1.015 1.00 0.00 C ATOM 360 CG ASP A 25 1.591 -4.725 -0.713 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.884 -4.972 0.478 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.769 -5.494 -1.682 1.00 0.00 O ATOM 0 H ASP A 25 0.910 -0.855 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 25 1.264 -2.454 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.116 -3.414 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.094 -3.125 -2.070 1.00 0.00 H new ATOM 367 N PHE A 26 3.799 -2.341 0.883 1.00 0.00 N ATOM 368 CA PHE A 26 5.251 -2.401 0.846 1.00 0.00 C ATOM 369 C PHE A 26 5.599 -3.843 0.495 1.00 0.00 C ATOM 370 O PHE A 26 5.308 -4.745 1.282 1.00 0.00 O ATOM 371 CB PHE A 26 5.845 -1.970 2.190 1.00 0.00 C ATOM 372 CG PHE A 26 5.830 -0.467 2.403 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.621 0.227 2.607 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.033 0.254 2.311 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.623 1.629 2.718 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.039 1.651 2.460 1.00 0.00 C ATOM 377 CZ PHE A 26 5.833 2.341 2.663 1.00 0.00 C ATOM 0 H PHE A 26 3.392 -2.360 1.818 1.00 0.00 H new ATOM 0 HA PHE A 26 5.671 -1.717 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.288 -2.449 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.872 -2.328 2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.692 -0.318 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.959 -0.269 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.691 2.160 2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.971 2.194 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.836 3.415 2.776 1.00 0.00 H new ATOM 387 N TRP A 27 6.167 -4.052 -0.697 1.00 0.00 N ATOM 388 CA TRP A 27 6.497 -5.371 -1.219 1.00 0.00 C ATOM 389 C TRP A 27 7.973 -5.432 -1.608 1.00 0.00 C ATOM 390 O TRP A 27 8.742 -4.490 -1.409 1.00 0.00 O ATOM 391 CB TRP A 27 5.630 -5.670 -2.453 1.00 0.00 C ATOM 392 CG TRP A 27 6.041 -4.963 -3.705 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.897 -3.645 -3.935 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.779 -5.489 -4.846 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.567 -3.290 -5.088 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.156 -4.392 -5.676 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.215 -6.773 -5.244 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.968 -4.560 -6.807 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.954 -6.954 -6.426 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.344 -5.851 -7.200 1.00 0.00 C ATOM 0 H TRP A 27 6.412 -3.293 -1.333 1.00 0.00 H new ATOM 0 HA TRP A 27 6.303 -6.114 -0.446 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.648 -6.744 -2.638 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.598 -5.403 -2.226 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.339 -2.965 -3.309 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.620 -2.340 -5.457 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.977 -7.629 -4.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.301 -3.701 -7.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.224 -7.951 -6.741 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.931 -5.996 -8.095 1.00 0.00 H new ATOM 411 N ALA A 28 8.368 -6.546 -2.217 1.00 0.00 N ATOM 412 CA ALA A 28 9.682 -6.741 -2.808 1.00 0.00 C ATOM 413 C ALA A 28 9.628 -8.036 -3.615 1.00 0.00 C ATOM 414 O ALA A 28 8.842 -8.916 -3.274 1.00 0.00 O ATOM 415 CB ALA A 28 10.775 -6.856 -1.743 1.00 0.00 C ATOM 0 H ALA A 28 7.762 -7.361 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 28 9.927 -5.882 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.741 -7.001 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.801 -5.943 -1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.563 -7.706 -1.094 1.00 0.00 H new ATOM 421 N PRO A 29 10.433 -8.202 -4.668 1.00 0.00 N ATOM 422 CA PRO A 29 10.452 -9.430 -5.449 1.00 0.00 C ATOM 423 C PRO A 29 10.715 -10.685 -4.610 1.00 0.00 C ATOM 424 O PRO A 29 10.202 -11.749 -4.942 1.00 0.00 O ATOM 425 CB PRO A 29 11.507 -9.210 -6.531 1.00 0.00 C ATOM 426 CG PRO A 29 12.319 -8.005 -6.046 1.00 0.00 C ATOM 427 CD PRO A 29 11.270 -7.196 -5.292 1.00 0.00 C ATOM 0 HA PRO A 29 9.471 -9.625 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.139 -10.090 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.046 -9.013 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.145 -8.303 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.749 -7.443 -6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.728 -6.542 -4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.695 -6.561 -5.966 1.00 0.00 H new ATOM 435 N TRP A 30 11.494 -10.597 -3.529 1.00 0.00 N ATOM 436 CA TRP A 30 11.730 -11.748 -2.660 1.00 0.00 C ATOM 437 C TRP A 30 10.549 -11.994 -1.708 1.00 0.00 C ATOM 438 O TRP A 30 10.525 -13.005 -1.008 1.00 0.00 O ATOM 439 CB TRP A 30 13.037 -11.544 -1.885 1.00 0.00 C ATOM 440 CG TRP A 30 13.197 -10.239 -1.166 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.962 -9.212 -1.594 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.630 -9.806 0.110 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.906 -8.176 -0.690 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.096 -8.485 0.382 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.777 -10.393 1.070 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.725 -7.780 1.537 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.392 -9.692 2.228 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.859 -8.387 2.460 1.00 0.00 C ATOM 0 H TRP A 30 11.970 -9.743 -3.237 1.00 0.00 H new ATOM 0 HA TRP A 30 11.821 -12.639 -3.281 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.129 -12.348 -1.155 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.867 -11.652 -2.583 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.533 -9.205 -2.510 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.401 -7.291 -0.799 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.414 -11.398 0.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.101 -6.783 1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.733 -10.160 2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.552 -7.852 3.347 1.00 0.00 H new ATOM 459 N CYS A 31 9.548 -11.113 -1.671 1.00 0.00 N ATOM 460 CA CYS A 31 8.416 -11.258 -0.764 1.00 0.00 C ATOM 461 C CYS A 31 7.381 -12.243 -1.322 1.00 0.00 C ATOM 462 O CYS A 31 6.432 -11.844 -1.995 1.00 0.00 O ATOM 463 CB CYS A 31 7.784 -9.892 -0.515 1.00 0.00 C ATOM 464 SG CYS A 31 6.320 -9.961 0.531 1.00 0.00 S ATOM 0 H CYS A 31 9.502 -10.286 -2.266 1.00 0.00 H new ATOM 0 HA CYS A 31 8.775 -11.663 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.522 -9.238 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.517 -9.444 -1.472 1.00 0.00 H new ATOM 469 N GLY A 32 7.553 -13.534 -1.019 1.00 0.00 N ATOM 470 CA GLY A 32 6.645 -14.611 -1.419 1.00 0.00 C ATOM 471 C GLY A 32 5.162 -14.218 -1.370 1.00 0.00 C ATOM 472 O GLY A 32 4.511 -14.207 -2.414 1.00 0.00 O ATOM 0 H GLY A 32 8.349 -13.866 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.895 -14.927 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.806 -15.470 -0.768 1.00 0.00 H new ATOM 476 N PRO A 33 4.606 -13.896 -0.188 1.00 0.00 N ATOM 477 CA PRO A 33 3.223 -13.467 -0.055 1.00 0.00 C ATOM 478 C PRO A 33 2.853 -12.364 -1.042 1.00 0.00 C ATOM 479 O PRO A 33 1.823 -12.434 -1.706 1.00 0.00 O ATOM 480 CB PRO A 33 3.088 -12.956 1.379 1.00 0.00 C ATOM 481 CG PRO A 33 4.112 -13.783 2.145 1.00 0.00 C ATOM 482 CD PRO A 33 5.239 -13.971 1.121 1.00 0.00 C ATOM 0 HA PRO A 33 2.549 -14.296 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.301 -11.889 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.080 -13.105 1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.461 -13.266 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.698 -14.738 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.000 -13.198 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.737 -14.931 1.260 1.00 0.00 H new ATOM 490 N CYS A 34 3.711 -11.347 -1.135 1.00 0.00 N ATOM 491 CA CYS A 34 3.481 -10.184 -1.977 1.00 0.00 C ATOM 492 C CYS A 34 3.205 -10.628 -3.409 1.00 0.00 C ATOM 493 O CYS A 34 2.276 -10.125 -4.030 1.00 0.00 O ATOM 494 CB CYS A 34 4.647 -9.207 -1.958 1.00 0.00 C ATOM 495 SG CYS A 34 5.106 -8.521 -0.346 1.00 0.00 S ATOM 0 H CYS A 34 4.591 -11.312 -0.621 1.00 0.00 H new ATOM 0 HA CYS A 34 2.615 -9.661 -1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.520 -9.710 -2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.408 -8.379 -2.625 1.00 0.00 H new ATOM 500 N ARG A 35 3.987 -11.579 -3.934 1.00 0.00 N ATOM 501 CA ARG A 35 3.821 -12.073 -5.293 1.00 0.00 C ATOM 502 C ARG A 35 2.396 -12.565 -5.544 1.00 0.00 C ATOM 503 O ARG A 35 1.785 -12.211 -6.547 1.00 0.00 O ATOM 504 CB ARG A 35 4.775 -13.244 -5.550 1.00 0.00 C ATOM 505 CG ARG A 35 6.260 -12.908 -5.405 1.00 0.00 C ATOM 506 CD ARG A 35 7.072 -14.182 -5.656 1.00 0.00 C ATOM 507 NE ARG A 35 8.501 -13.933 -5.464 1.00 0.00 N ATOM 508 CZ ARG A 35 9.466 -14.859 -5.520 1.00 0.00 C ATOM 509 NH1 ARG A 35 9.172 -16.141 -5.759 1.00 0.00 N ATOM 510 NH2 ARG A 35 10.728 -14.468 -5.335 1.00 0.00 N ATOM 0 H ARG A 35 4.750 -12.023 -3.423 1.00 0.00 H new ATOM 0 HA ARG A 35 4.039 -11.241 -5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.531 -14.051 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.600 -13.622 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.544 -12.131 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.465 -12.518 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.741 -14.969 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.893 -14.539 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 35 8.786 -12.973 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.202 -16.424 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.917 -16.836 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.937 -13.486 -5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.484 -15.151 -5.372 1.00 0.00 H new ATOM 524 N ILE A 36 1.885 -13.416 -4.650 1.00 0.00 N ATOM 525 CA ILE A 36 0.568 -14.024 -4.818 1.00 0.00 C ATOM 526 C ILE A 36 -0.553 -13.079 -4.362 1.00 0.00 C ATOM 527 O ILE A 36 -1.695 -13.250 -4.780 1.00 0.00 O ATOM 528 CB ILE A 36 0.538 -15.437 -4.186 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.953 -15.536 -2.705 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.491 -16.335 -4.991 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.213 -15.236 -1.762 1.00 0.00 C ATOM 0 H ILE A 36 2.369 -13.699 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 36 0.371 -14.178 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.508 -15.741 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.335 -16.536 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.767 -14.838 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.490 -17.339 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.160 -16.379 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.500 -15.925 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.125 -15.317 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.579 -14.226 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.017 -15.951 -1.938 1.00 0.00 H new ATOM 543 N ILE A 37 -0.247 -12.070 -3.540 1.00 0.00 N ATOM 544 CA ILE A 37 -1.202 -11.049 -3.114 1.00 0.00 C ATOM 545 C ILE A 37 -1.376 -10.012 -4.245 1.00 0.00 C ATOM 546 O ILE A 37 -2.489 -9.565 -4.523 1.00 0.00 O ATOM 547 CB ILE A 37 -0.711 -10.438 -1.777 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.019 -11.410 -0.622 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.365 -9.085 -1.487 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.315 -11.055 0.694 1.00 0.00 C ATOM 0 H ILE A 37 0.686 -11.940 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.189 -11.472 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 37 0.364 -10.277 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.096 -11.428 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.726 -12.417 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.991 -8.695 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.125 -8.386 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.446 -9.209 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.582 -11.785 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.765 -11.065 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.627 -10.062 1.017 1.00 0.00 H new ATOM 562 N ALA A 38 -0.286 -9.661 -4.934 1.00 0.00 N ATOM 563 CA ALA A 38 -0.202 -8.654 -5.990 1.00 0.00 C ATOM 564 C ALA A 38 -1.388 -8.618 -6.968 1.00 0.00 C ATOM 565 O ALA A 38 -1.901 -7.524 -7.193 1.00 0.00 O ATOM 566 CB ALA A 38 1.116 -8.812 -6.760 1.00 0.00 C ATOM 0 H ALA A 38 0.617 -10.102 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.240 -7.696 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.171 -8.058 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.955 -8.685 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.159 -9.805 -7.207 1.00 0.00 H new ATOM 572 N PRO A 39 -1.853 -9.734 -7.560 1.00 0.00 N ATOM 573 CA PRO A 39 -2.973 -9.713 -8.495 1.00 0.00 C ATOM 574 C PRO A 39 -4.228 -9.185 -7.800 1.00 0.00 C ATOM 575 O PRO A 39 -5.037 -8.454 -8.374 1.00 0.00 O ATOM 576 CB PRO A 39 -3.173 -11.163 -8.960 1.00 0.00 C ATOM 577 CG PRO A 39 -1.879 -11.869 -8.552 1.00 0.00 C ATOM 578 CD PRO A 39 -1.488 -11.109 -7.289 1.00 0.00 C ATOM 0 HA PRO A 39 -2.777 -9.057 -9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.042 -11.618 -8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.334 -11.217 -10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.037 -12.930 -8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.114 -11.797 -9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.015 -11.494 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.421 -11.203 -7.085 1.00 0.00 H new ATOM 586 N VAL A 40 -4.374 -9.563 -6.530 1.00 0.00 N ATOM 587 CA VAL A 40 -5.488 -9.145 -5.716 1.00 0.00 C ATOM 588 C VAL A 40 -5.320 -7.646 -5.443 1.00 0.00 C ATOM 589 O VAL A 40 -6.279 -6.893 -5.566 1.00 0.00 O ATOM 590 CB VAL A 40 -5.577 -10.007 -4.444 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.014 -9.957 -3.922 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.243 -11.487 -4.698 1.00 0.00 C ATOM 0 H VAL A 40 -3.713 -10.171 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.441 -9.293 -6.224 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.853 -9.605 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.095 -10.563 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.282 -8.926 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.691 -10.346 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.323 -12.043 -3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.942 -11.898 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.227 -11.570 -5.084 1.00 0.00 H new ATOM 602 N VAL A 41 -4.104 -7.189 -5.115 1.00 0.00 N ATOM 603 CA VAL A 41 -3.840 -5.759 -4.924 1.00 0.00 C ATOM 604 C VAL A 41 -4.259 -5.000 -6.191 1.00 0.00 C ATOM 605 O VAL A 41 -4.918 -3.964 -6.103 1.00 0.00 O ATOM 606 CB VAL A 41 -2.355 -5.482 -4.609 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.132 -4.006 -4.263 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.854 -6.290 -3.416 1.00 0.00 C ATOM 0 H VAL A 41 -3.290 -7.788 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.421 -5.416 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.809 -5.766 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.077 -3.839 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.431 -3.385 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.729 -3.743 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.804 -6.059 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.439 -6.035 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.961 -7.354 -3.627 1.00 0.00 H new ATOM 618 N ASP A 42 -3.880 -5.527 -7.361 1.00 0.00 N ATOM 619 CA ASP A 42 -4.212 -4.943 -8.651 1.00 0.00 C ATOM 620 C ASP A 42 -5.732 -4.795 -8.779 1.00 0.00 C ATOM 621 O ASP A 42 -6.231 -3.672 -8.841 1.00 0.00 O ATOM 622 CB ASP A 42 -3.626 -5.780 -9.804 1.00 0.00 C ATOM 623 CG ASP A 42 -2.097 -5.767 -9.875 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.499 -4.677 -9.715 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.529 -6.852 -10.121 1.00 0.00 O ATOM 0 H ASP A 42 -3.328 -6.382 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.764 -3.951 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.965 -6.811 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.025 -5.408 -10.748 1.00 0.00 H new ATOM 630 N GLU A 43 -6.487 -5.900 -8.782 1.00 0.00 N ATOM 631 CA GLU A 43 -7.936 -5.830 -8.982 1.00 0.00 C ATOM 632 C GLU A 43 -8.625 -4.963 -7.914 1.00 0.00 C ATOM 633 O GLU A 43 -9.560 -4.214 -8.214 1.00 0.00 O ATOM 634 CB GLU A 43 -8.513 -7.250 -9.052 1.00 0.00 C ATOM 635 CG GLU A 43 -8.792 -7.879 -7.683 1.00 0.00 C ATOM 636 CD GLU A 43 -9.027 -9.378 -7.797 1.00 0.00 C ATOM 637 OE1 GLU A 43 -8.039 -10.092 -8.077 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.193 -9.789 -7.613 1.00 0.00 O ATOM 0 H GLU A 43 -6.122 -6.843 -8.650 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.136 -5.334 -9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.440 -7.226 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.817 -7.887 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.950 -7.691 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.665 -7.405 -7.235 1.00 0.00 H new ATOM 645 N ILE A 44 -8.143 -5.043 -6.669 1.00 0.00 N ATOM 646 CA ILE A 44 -8.658 -4.262 -5.553 1.00 0.00 C ATOM 647 C ILE A 44 -8.687 -2.778 -5.922 1.00 0.00 C ATOM 648 O ILE A 44 -9.616 -2.073 -5.528 1.00 0.00 O ATOM 649 CB ILE A 44 -7.814 -4.560 -4.297 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.292 -5.880 -3.661 1.00 0.00 C ATOM 651 CG2 ILE A 44 -7.836 -3.430 -3.264 1.00 0.00 C ATOM 652 CD1 ILE A 44 -9.535 -5.748 -2.775 1.00 0.00 C ATOM 0 H ILE A 44 -7.374 -5.662 -6.411 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.687 -4.543 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.777 -4.649 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.503 -6.595 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.480 -6.296 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.222 -3.708 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.441 -2.519 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.861 -3.258 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.799 -6.725 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.326 -5.060 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.365 -5.365 -3.368 1.00 0.00 H new ATOM 664 N ALA A 45 -7.698 -2.293 -6.684 1.00 0.00 N ATOM 665 CA ALA A 45 -7.666 -0.899 -7.111 1.00 0.00 C ATOM 666 C ALA A 45 -8.929 -0.536 -7.888 1.00 0.00 C ATOM 667 O ALA A 45 -9.446 0.566 -7.741 1.00 0.00 O ATOM 668 CB ALA A 45 -6.445 -0.654 -7.992 1.00 0.00 C ATOM 0 H ALA A 45 -6.911 -2.851 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.611 -0.273 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.427 0.389 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.539 -0.878 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.495 -1.298 -8.870 1.00 0.00 H new ATOM 674 N GLY A 46 -9.411 -1.454 -8.729 1.00 0.00 N ATOM 675 CA GLY A 46 -10.631 -1.247 -9.484 1.00 0.00 C ATOM 676 C GLY A 46 -11.814 -1.258 -8.523 1.00 0.00 C ATOM 677 O GLY A 46 -12.640 -0.348 -8.529 1.00 0.00 O ATOM 0 H GLY A 46 -8.963 -2.354 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.588 -0.298 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.747 -2.029 -10.234 1.00 0.00 H new ATOM 681 N GLU A 47 -11.877 -2.294 -7.680 1.00 0.00 N ATOM 682 CA GLU A 47 -12.962 -2.473 -6.724 1.00 0.00 C ATOM 683 C GLU A 47 -13.176 -1.236 -5.840 1.00 0.00 C ATOM 684 O GLU A 47 -14.319 -0.839 -5.628 1.00 0.00 O ATOM 685 CB GLU A 47 -12.704 -3.722 -5.872 1.00 0.00 C ATOM 686 CG GLU A 47 -12.757 -5.008 -6.715 1.00 0.00 C ATOM 687 CD GLU A 47 -12.572 -6.267 -5.870 1.00 0.00 C ATOM 688 OE1 GLU A 47 -11.424 -6.489 -5.430 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.581 -6.983 -5.678 1.00 0.00 O ATOM 0 H GLU A 47 -11.173 -3.031 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.883 -2.609 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.728 -3.641 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.446 -3.778 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.714 -5.060 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.981 -4.970 -7.480 1.00 0.00 H new ATOM 696 N TYR A 48 -12.096 -0.642 -5.325 1.00 0.00 N ATOM 697 CA TYR A 48 -12.156 0.516 -4.423 1.00 0.00 C ATOM 698 C TYR A 48 -11.533 1.779 -5.034 1.00 0.00 C ATOM 699 O TYR A 48 -10.912 2.594 -4.345 1.00 0.00 O ATOM 700 CB TYR A 48 -11.516 0.122 -3.084 1.00 0.00 C ATOM 701 CG TYR A 48 -12.261 -1.014 -2.408 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.467 -0.747 -1.734 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.892 -2.348 -2.665 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.309 -1.803 -1.349 1.00 0.00 C ATOM 705 CE2 TYR A 48 -12.725 -3.406 -2.264 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.945 -3.130 -1.623 1.00 0.00 C ATOM 707 OH TYR A 48 -14.811 -4.144 -1.342 1.00 0.00 O ATOM 0 H TYR A 48 -11.145 -0.953 -5.523 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.199 0.784 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.480 -0.173 -3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.498 0.988 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.746 0.273 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.963 -2.559 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.239 -1.593 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.429 -4.428 -2.448 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.405 -5.000 -1.593 1.00 0.00 H new ATOM 717 N LYS A 49 -11.746 1.947 -6.340 1.00 0.00 N ATOM 718 CA LYS A 49 -11.258 3.082 -7.100 1.00 0.00 C ATOM 719 C LYS A 49 -11.756 4.401 -6.505 1.00 0.00 C ATOM 720 O LYS A 49 -12.722 4.434 -5.741 1.00 0.00 O ATOM 721 CB LYS A 49 -11.704 2.940 -8.565 1.00 0.00 C ATOM 722 CG LYS A 49 -13.232 2.885 -8.722 1.00 0.00 C ATOM 723 CD LYS A 49 -13.602 2.662 -10.193 1.00 0.00 C ATOM 724 CE LYS A 49 -15.108 2.425 -10.362 1.00 0.00 C ATOM 725 NZ LYS A 49 -15.905 3.570 -9.888 1.00 0.00 N ATOM 0 H LYS A 49 -12.274 1.281 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.169 3.097 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.315 3.779 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.268 2.034 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.640 2.080 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.676 3.814 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.300 3.529 -10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.051 1.806 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.330 2.240 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.398 1.530 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.910 3.404 -10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.779 3.679 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.589 4.436 -10.370 1.00 0.00 H new ATOM 739 N ASP A 50 -11.087 5.492 -6.883 1.00 0.00 N ATOM 740 CA ASP A 50 -11.356 6.871 -6.497 1.00 0.00 C ATOM 741 C ASP A 50 -10.958 7.129 -5.055 1.00 0.00 C ATOM 742 O ASP A 50 -10.050 7.905 -4.784 1.00 0.00 O ATOM 743 CB ASP A 50 -12.833 7.241 -6.695 1.00 0.00 C ATOM 744 CG ASP A 50 -13.057 8.713 -6.374 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.833 9.533 -7.290 1.00 0.00 O ATOM 746 OD2 ASP A 50 -13.436 8.987 -5.215 1.00 0.00 O ATOM 0 H ASP A 50 -10.287 5.426 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.751 7.500 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.131 7.037 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.459 6.622 -6.052 1.00 0.00 H new ATOM 751 N LYS A 51 -11.596 6.420 -4.133 1.00 0.00 N ATOM 752 CA LYS A 51 -11.444 6.721 -2.713 1.00 0.00 C ATOM 753 C LYS A 51 -10.131 6.186 -2.157 1.00 0.00 C ATOM 754 O LYS A 51 -9.565 6.762 -1.234 1.00 0.00 O ATOM 755 CB LYS A 51 -12.573 6.077 -1.905 1.00 0.00 C ATOM 756 CG LYS A 51 -13.966 6.317 -2.492 1.00 0.00 C ATOM 757 CD LYS A 51 -15.084 6.043 -1.473 1.00 0.00 C ATOM 758 CE LYS A 51 -15.074 4.630 -0.864 1.00 0.00 C ATOM 759 NZ LYS A 51 -14.113 4.501 0.249 1.00 0.00 N ATOM 0 H LYS A 51 -12.219 5.639 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.467 7.807 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.395 5.003 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.546 6.465 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.039 7.348 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.106 5.676 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.006 6.771 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.046 6.207 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.074 4.385 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.826 3.905 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.368 3.680 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.155 4.370 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.138 5.362 0.831 1.00 0.00 H new ATOM 773 N LEU A 52 -9.672 5.067 -2.706 1.00 0.00 N ATOM 774 CA LEU A 52 -8.484 4.386 -2.227 1.00 0.00 C ATOM 775 C LEU A 52 -7.507 4.196 -3.380 1.00 0.00 C ATOM 776 O LEU A 52 -7.692 3.307 -4.209 1.00 0.00 O ATOM 777 CB LEU A 52 -8.932 3.052 -1.618 1.00 0.00 C ATOM 778 CG LEU A 52 -7.842 2.403 -0.763 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.822 3.042 0.630 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.168 0.912 -0.633 1.00 0.00 C ATOM 0 H LEU A 52 -10.119 4.608 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.965 4.967 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.820 3.215 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.217 2.369 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.866 2.544 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.044 2.575 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.619 4.109 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.789 2.897 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.405 0.424 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.141 0.793 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.190 0.457 -1.623 1.00 0.00 H new ATOM 792 N LYS A 53 -6.453 5.006 -3.456 1.00 0.00 N ATOM 793 CA LYS A 53 -5.481 4.868 -4.515 1.00 0.00 C ATOM 794 C LYS A 53 -4.582 3.710 -4.079 1.00 0.00 C ATOM 795 O LYS A 53 -3.660 3.872 -3.285 1.00 0.00 O ATOM 796 CB LYS A 53 -4.784 6.219 -4.721 1.00 0.00 C ATOM 797 CG LYS A 53 -4.197 6.406 -6.126 1.00 0.00 C ATOM 798 CD LYS A 53 -3.000 5.485 -6.385 1.00 0.00 C ATOM 799 CE LYS A 53 -2.383 5.732 -7.767 1.00 0.00 C ATOM 800 NZ LYS A 53 -3.279 5.293 -8.853 1.00 0.00 N ATOM 0 H LYS A 53 -6.259 5.759 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.890 4.625 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.498 7.019 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.984 6.320 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.970 6.210 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.888 7.444 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.245 5.645 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.318 4.445 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.164 6.794 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.434 5.201 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.794 5.398 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.536 4.295 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.140 5.876 -8.850 1.00 0.00 H new ATOM 814 N CYS A 54 -4.901 2.512 -4.555 1.00 0.00 N ATOM 815 CA CYS A 54 -4.190 1.299 -4.184 1.00 0.00 C ATOM 816 C CYS A 54 -2.882 1.224 -4.961 1.00 0.00 C ATOM 817 O CYS A 54 -2.896 1.482 -6.161 1.00 0.00 O ATOM 818 CB CYS A 54 -5.084 0.106 -4.516 1.00 0.00 C ATOM 819 SG CYS A 54 -4.194 -1.408 -4.129 1.00 0.00 S ATOM 0 H CYS A 54 -5.665 2.356 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.956 1.295 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.010 0.157 -3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.360 0.123 -5.570 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.535 -2.339 -4.970 1.00 0.00 H new ATOM 825 N VAL A 55 -1.751 0.941 -4.303 1.00 0.00 N ATOM 826 CA VAL A 55 -0.451 0.848 -4.960 1.00 0.00 C ATOM 827 C VAL A 55 0.478 -0.140 -4.246 1.00 0.00 C ATOM 828 O VAL A 55 0.146 -0.658 -3.181 1.00 0.00 O ATOM 829 CB VAL A 55 0.239 2.229 -5.059 1.00 0.00 C ATOM 830 CG1 VAL A 55 -0.670 3.417 -5.391 1.00 0.00 C ATOM 831 CG2 VAL A 55 0.946 2.645 -3.784 1.00 0.00 C ATOM 0 H VAL A 55 -1.717 0.770 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.642 0.479 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 55 0.926 2.041 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.075 4.329 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.149 3.250 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.434 3.517 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.407 3.622 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.224 2.699 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.716 1.913 -3.539 1.00 0.00 H new ATOM 841 N LYS A 56 1.668 -0.348 -4.823 1.00 0.00 N ATOM 842 CA LYS A 56 2.734 -1.212 -4.334 1.00 0.00 C ATOM 843 C LYS A 56 4.085 -0.474 -4.336 1.00 0.00 C ATOM 844 O LYS A 56 4.523 -0.010 -5.389 1.00 0.00 O ATOM 845 CB LYS A 56 2.788 -2.440 -5.247 1.00 0.00 C ATOM 846 CG LYS A 56 1.865 -3.538 -4.713 1.00 0.00 C ATOM 847 CD LYS A 56 1.653 -4.697 -5.694 1.00 0.00 C ATOM 848 CE LYS A 56 0.762 -4.279 -6.870 1.00 0.00 C ATOM 849 NZ LYS A 56 0.376 -5.437 -7.691 1.00 0.00 N ATOM 0 H LYS A 56 1.921 0.114 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 56 2.534 -1.510 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.489 -2.164 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.811 -2.812 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.281 -3.931 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.898 -3.100 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.617 -5.039 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.198 -5.539 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.133 -3.785 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.290 -3.553 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.080 -5.106 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.223 -5.991 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.289 -6.034 -7.159 1.00 0.00 H new ATOM 863 N LEU A 57 4.755 -0.385 -3.177 1.00 0.00 N ATOM 864 CA LEU A 57 6.057 0.264 -2.991 1.00 0.00 C ATOM 865 C LEU A 57 7.148 -0.794 -2.858 1.00 0.00 C ATOM 866 O LEU A 57 7.105 -1.640 -1.965 1.00 0.00 O ATOM 867 CB LEU A 57 5.988 1.193 -1.763 1.00 0.00 C ATOM 868 CG LEU A 57 7.219 1.990 -1.323 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.279 1.091 -0.691 1.00 0.00 C ATOM 870 CD2 LEU A 57 7.800 2.820 -2.465 1.00 0.00 C ATOM 0 H LEU A 57 4.388 -0.780 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 57 6.306 0.875 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.189 1.911 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.679 0.583 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 57 6.885 2.688 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.136 1.694 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.861 0.596 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.598 0.340 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.672 3.369 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.095 2.160 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.048 3.524 -2.822 1.00 0.00 H new ATOM 882 N ASN A 58 8.134 -0.770 -3.766 1.00 0.00 N ATOM 883 CA ASN A 58 9.250 -1.709 -3.693 1.00 0.00 C ATOM 884 C ASN A 58 10.192 -1.284 -2.567 1.00 0.00 C ATOM 885 O ASN A 58 10.931 -0.308 -2.691 1.00 0.00 O ATOM 886 CB ASN A 58 9.997 -1.819 -5.019 1.00 0.00 C ATOM 887 CG ASN A 58 11.058 -2.917 -4.916 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.901 -2.903 -4.026 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.022 -3.899 -5.802 1.00 0.00 N ATOM 0 H ASN A 58 8.177 -0.117 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 58 8.851 -2.701 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.299 -2.047 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.466 -0.866 -5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.702 -4.658 -5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.315 -3.897 -6.537 1.00 0.00 H new ATOM 896 N THR A 59 10.168 -2.053 -1.484 1.00 0.00 N ATOM 897 CA THR A 59 10.882 -1.787 -0.241 1.00 0.00 C ATOM 898 C THR A 59 12.398 -1.879 -0.436 1.00 0.00 C ATOM 899 O THR A 59 13.158 -1.146 0.189 1.00 0.00 O ATOM 900 CB THR A 59 10.392 -2.798 0.812 1.00 0.00 C ATOM 901 OG1 THR A 59 8.978 -2.860 0.798 1.00 0.00 O ATOM 902 CG2 THR A 59 10.812 -2.412 2.230 1.00 0.00 C ATOM 0 H THR A 59 9.627 -2.917 -1.447 1.00 0.00 H new ATOM 0 HA THR A 59 10.676 -0.770 0.094 1.00 0.00 H new ATOM 0 HB THR A 59 10.842 -3.756 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.685 -3.494 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.442 -3.157 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.900 -2.367 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.395 -1.437 2.480 1.00 0.00 H new ATOM 910 N ASP A 60 12.832 -2.776 -1.321 1.00 0.00 N ATOM 911 CA ASP A 60 14.230 -3.056 -1.618 1.00 0.00 C ATOM 912 C ASP A 60 14.859 -1.863 -2.347 1.00 0.00 C ATOM 913 O ASP A 60 15.999 -1.480 -2.099 1.00 0.00 O ATOM 914 CB ASP A 60 14.261 -4.332 -2.471 1.00 0.00 C ATOM 915 CG ASP A 60 15.548 -5.123 -2.294 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.566 -4.709 -2.886 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.464 -6.146 -1.577 1.00 0.00 O ATOM 0 H ASP A 60 12.191 -3.348 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 60 14.812 -3.209 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.412 -4.962 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.144 -4.065 -3.521 1.00 0.00 H new ATOM 922 N GLU A 61 14.059 -1.273 -3.240 1.00 0.00 N ATOM 923 CA GLU A 61 14.374 -0.111 -4.058 1.00 0.00 C ATOM 924 C GLU A 61 14.160 1.191 -3.288 1.00 0.00 C ATOM 925 O GLU A 61 14.787 2.203 -3.592 1.00 0.00 O ATOM 926 CB GLU A 61 13.430 -0.121 -5.262 1.00 0.00 C ATOM 927 CG GLU A 61 14.000 0.606 -6.488 1.00 0.00 C ATOM 928 CD GLU A 61 15.194 -0.129 -7.091 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.997 -1.301 -7.478 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.278 0.489 -7.147 1.00 0.00 O ATOM 0 H GLU A 61 13.117 -1.620 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 61 15.421 -0.162 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.208 -1.153 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.486 0.345 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.220 0.709 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.302 1.614 -6.203 1.00 0.00 H new ATOM 937 N SER A 62 13.242 1.157 -2.319 1.00 0.00 N ATOM 938 CA SER A 62 12.841 2.287 -1.491 1.00 0.00 C ATOM 939 C SER A 62 13.096 2.038 0.005 1.00 0.00 C ATOM 940 O SER A 62 12.201 2.239 0.828 1.00 0.00 O ATOM 941 CB SER A 62 11.366 2.578 -1.757 1.00 0.00 C ATOM 942 OG SER A 62 11.091 2.404 -3.134 1.00 0.00 O ATOM 0 H SER A 62 12.739 0.302 -2.083 1.00 0.00 H new ATOM 0 HA SER A 62 13.449 3.152 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.740 1.912 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.125 3.597 -1.453 1.00 0.00 H new ATOM 0 HG SER A 62 10.955 1.452 -3.323 1.00 0.00 H new ATOM 948 N PRO A 63 14.327 1.647 0.366 1.00 0.00 N ATOM 949 CA PRO A 63 14.753 1.351 1.720 1.00 0.00 C ATOM 950 C PRO A 63 14.718 2.620 2.559 1.00 0.00 C ATOM 951 O PRO A 63 14.519 2.563 3.767 1.00 0.00 O ATOM 952 CB PRO A 63 16.186 0.827 1.599 1.00 0.00 C ATOM 953 CG PRO A 63 16.692 1.588 0.377 1.00 0.00 C ATOM 954 CD PRO A 63 15.461 1.573 -0.521 1.00 0.00 C ATOM 0 HA PRO A 63 14.104 0.622 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.777 1.043 2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.216 -0.252 1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.006 2.602 0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.546 1.095 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.472 2.415 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.428 0.665 -1.124 1.00 0.00 H new ATOM 962 N ASN A 64 14.940 3.765 1.913 1.00 0.00 N ATOM 963 CA ASN A 64 14.942 5.060 2.601 1.00 0.00 C ATOM 964 C ASN A 64 13.573 5.262 3.239 1.00 0.00 C ATOM 965 O ASN A 64 13.438 5.308 4.462 1.00 0.00 O ATOM 966 CB ASN A 64 15.311 6.230 1.672 1.00 0.00 C ATOM 967 CG ASN A 64 16.419 5.878 0.686 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.597 6.079 0.954 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.044 5.324 -0.464 1.00 0.00 N ATOM 0 H ASN A 64 15.121 3.824 0.911 1.00 0.00 H new ATOM 0 HA ASN A 64 15.716 5.049 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.425 6.542 1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.626 7.081 2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.746 5.053 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.054 5.170 -0.657 1.00 0.00 H new ATOM 976 N VAL A 65 12.548 5.313 2.391 1.00 0.00 N ATOM 977 CA VAL A 65 11.167 5.450 2.818 1.00 0.00 C ATOM 978 C VAL A 65 10.824 4.326 3.793 1.00 0.00 C ATOM 979 O VAL A 65 10.267 4.571 4.863 1.00 0.00 O ATOM 980 CB VAL A 65 10.287 5.479 1.561 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.795 5.317 1.859 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.519 6.836 0.887 1.00 0.00 C ATOM 0 H VAL A 65 12.659 5.259 1.379 1.00 0.00 H new ATOM 0 HA VAL A 65 10.992 6.379 3.361 1.00 0.00 H new ATOM 0 HB VAL A 65 10.564 4.638 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.232 5.347 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.625 4.362 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.464 6.127 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.911 6.903 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.239 7.636 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.572 6.936 0.624 1.00 0.00 H new ATOM 992 N ALA A 66 11.188 3.095 3.437 1.00 0.00 N ATOM 993 CA ALA A 66 10.968 1.941 4.296 1.00 0.00 C ATOM 994 C ALA A 66 11.488 2.200 5.718 1.00 0.00 C ATOM 995 O ALA A 66 10.783 1.946 6.692 1.00 0.00 O ATOM 996 CB ALA A 66 11.653 0.715 3.693 1.00 0.00 C ATOM 0 H ALA A 66 11.641 2.874 2.550 1.00 0.00 H new ATOM 0 HA ALA A 66 9.895 1.759 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.487 -0.148 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.238 0.515 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.723 0.902 3.606 1.00 0.00 H new ATOM 1002 N SER A 67 12.711 2.720 5.843 1.00 0.00 N ATOM 1003 CA SER A 67 13.320 3.022 7.130 1.00 0.00 C ATOM 1004 C SER A 67 12.556 4.139 7.834 1.00 0.00 C ATOM 1005 O SER A 67 12.267 4.031 9.022 1.00 0.00 O ATOM 1006 CB SER A 67 14.792 3.408 6.945 1.00 0.00 C ATOM 1007 OG SER A 67 15.498 2.353 6.324 1.00 0.00 O ATOM 0 H SER A 67 13.307 2.943 5.046 1.00 0.00 H new ATOM 0 HA SER A 67 13.273 2.130 7.754 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.865 4.311 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.240 3.636 7.912 1.00 0.00 H new ATOM 0 HG SER A 67 15.256 2.311 5.375 1.00 0.00 H new ATOM 1013 N GLU A 68 12.234 5.207 7.101 1.00 0.00 N ATOM 1014 CA GLU A 68 11.495 6.346 7.638 1.00 0.00 C ATOM 1015 C GLU A 68 10.182 5.884 8.280 1.00 0.00 C ATOM 1016 O GLU A 68 9.844 6.321 9.377 1.00 0.00 O ATOM 1017 CB GLU A 68 11.212 7.362 6.523 1.00 0.00 C ATOM 1018 CG GLU A 68 12.489 8.047 6.015 1.00 0.00 C ATOM 1019 CD GLU A 68 12.263 8.707 4.658 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.273 9.464 4.551 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.075 8.436 3.746 1.00 0.00 O ATOM 0 H GLU A 68 12.480 5.304 6.116 1.00 0.00 H new ATOM 0 HA GLU A 68 12.103 6.823 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.719 6.857 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.520 8.119 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.814 8.797 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.291 7.313 5.936 1.00 0.00 H new ATOM 1028 N TYR A 69 9.440 5.009 7.595 1.00 0.00 N ATOM 1029 CA TYR A 69 8.166 4.508 8.101 1.00 0.00 C ATOM 1030 C TYR A 69 8.355 3.399 9.143 1.00 0.00 C ATOM 1031 O TYR A 69 7.526 3.254 10.038 1.00 0.00 O ATOM 1032 CB TYR A 69 7.308 4.026 6.927 1.00 0.00 C ATOM 1033 CG TYR A 69 6.572 5.174 6.265 1.00 0.00 C ATOM 1034 CD1 TYR A 69 5.483 5.765 6.932 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.158 5.841 5.175 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.020 7.033 6.541 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.703 7.113 4.792 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.640 7.714 5.483 1.00 0.00 C ATOM 1039 OH TYR A 69 5.218 8.964 5.144 1.00 0.00 O ATOM 0 H TYR A 69 9.705 4.633 6.684 1.00 0.00 H new ATOM 0 HA TYR A 69 7.654 5.324 8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.942 3.528 6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.588 3.287 7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.002 5.243 7.746 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.963 5.372 4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.185 7.484 7.056 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.171 7.628 3.966 1.00 0.00 H new ATOM 0 HH TYR A 69 5.751 9.297 4.392 1.00 0.00 H new ATOM 1049 N GLY A 70 9.423 2.613 9.024 1.00 0.00 N ATOM 1050 CA GLY A 70 9.762 1.553 9.966 1.00 0.00 C ATOM 1051 C GLY A 70 9.255 0.200 9.480 1.00 0.00 C ATOM 1052 O GLY A 70 8.723 -0.602 10.247 1.00 0.00 O ATOM 0 H GLY A 70 10.088 2.698 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.843 1.513 10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.329 1.777 10.941 1.00 0.00 H new ATOM 1056 N ILE A 71 9.437 -0.069 8.188 1.00 0.00 N ATOM 1057 CA ILE A 71 9.028 -1.317 7.570 1.00 0.00 C ATOM 1058 C ILE A 71 9.999 -2.408 8.028 1.00 0.00 C ATOM 1059 O ILE A 71 10.991 -2.705 7.364 1.00 0.00 O ATOM 1060 CB ILE A 71 9.006 -1.153 6.043 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.162 0.055 5.599 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.485 -2.427 5.367 1.00 0.00 C ATOM 1063 CD1 ILE A 71 6.667 -0.043 5.898 1.00 0.00 C ATOM 0 H ILE A 71 9.877 0.584 7.539 1.00 0.00 H new ATOM 0 HA ILE A 71 8.020 -1.601 7.871 1.00 0.00 H new ATOM 0 HB ILE A 71 10.035 -0.973 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.554 0.949 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.292 0.192 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.478 -2.288 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.134 -3.265 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.472 -2.634 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.166 0.858 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.251 -0.913 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.517 -0.145 6.973 1.00 0.00 H new ATOM 1075 N ARG A 72 9.678 -3.046 9.153 1.00 0.00 N ATOM 1076 CA ARG A 72 10.534 -4.065 9.744 1.00 0.00 C ATOM 1077 C ARG A 72 10.401 -5.388 8.982 1.00 0.00 C ATOM 1078 O ARG A 72 11.300 -6.227 9.031 1.00 0.00 O ATOM 1079 CB ARG A 72 10.129 -4.240 11.219 1.00 0.00 C ATOM 1080 CG ARG A 72 10.817 -5.410 11.940 1.00 0.00 C ATOM 1081 CD ARG A 72 12.344 -5.266 11.981 1.00 0.00 C ATOM 1082 NE ARG A 72 12.967 -6.423 12.637 1.00 0.00 N ATOM 1083 CZ ARG A 72 13.206 -7.606 12.050 1.00 0.00 C ATOM 1084 NH1 ARG A 72 12.837 -7.833 10.783 1.00 0.00 N ATOM 1085 NH2 ARG A 72 13.821 -8.568 12.744 1.00 0.00 N ATOM 0 H ARG A 72 8.820 -2.870 9.676 1.00 0.00 H new ATOM 0 HA ARG A 72 11.578 -3.757 9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.354 -3.318 11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.050 -4.384 11.271 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.435 -5.478 12.959 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.558 -6.343 11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.730 -5.168 10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.612 -4.354 12.514 1.00 0.00 H new ATOM 0 HE ARG A 72 13.239 -6.319 13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.367 -7.101 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.026 -8.738 10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.104 -8.399 13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.008 -9.471 12.308 1.00 0.00 H new ATOM 1099 N SER A 73 9.284 -5.592 8.284 1.00 0.00 N ATOM 1100 CA SER A 73 9.023 -6.771 7.478 1.00 0.00 C ATOM 1101 C SER A 73 7.976 -6.389 6.439 1.00 0.00 C ATOM 1102 O SER A 73 7.475 -5.264 6.467 1.00 0.00 O ATOM 1103 CB SER A 73 8.556 -7.923 8.375 1.00 0.00 C ATOM 1104 OG SER A 73 7.551 -7.489 9.270 1.00 0.00 O ATOM 0 H SER A 73 8.518 -4.919 8.267 1.00 0.00 H new ATOM 0 HA SER A 73 9.923 -7.116 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.174 -8.737 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.403 -8.319 8.936 1.00 0.00 H new ATOM 0 HG SER A 73 7.266 -8.240 9.831 1.00 0.00 H new ATOM 1110 N ILE A 74 7.671 -7.314 5.530 1.00 0.00 N ATOM 1111 CA ILE A 74 6.680 -7.167 4.472 1.00 0.00 C ATOM 1112 C ILE A 74 6.064 -8.554 4.254 1.00 0.00 C ATOM 1113 O ILE A 74 6.741 -9.536 4.562 1.00 0.00 O ATOM 1114 CB ILE A 74 7.326 -6.610 3.187 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.587 -7.380 2.775 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.650 -5.121 3.368 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.078 -6.902 1.406 1.00 0.00 C ATOM 0 H ILE A 74 8.129 -8.225 5.513 1.00 0.00 H new ATOM 0 HA ILE A 74 5.906 -6.451 4.749 1.00 0.00 H new ATOM 0 HB ILE A 74 6.602 -6.736 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.369 -7.236 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.374 -8.448 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.106 -4.734 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.732 -4.571 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.343 -4.998 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.973 -7.457 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.300 -7.070 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.311 -5.838 1.454 1.00 0.00 H new ATOM 1129 N PRO A 75 4.824 -8.688 3.753 1.00 0.00 N ATOM 1130 CA PRO A 75 3.925 -7.628 3.323 1.00 0.00 C ATOM 1131 C PRO A 75 3.400 -6.777 4.470 1.00 0.00 C ATOM 1132 O PRO A 75 2.924 -7.282 5.488 1.00 0.00 O ATOM 1133 CB PRO A 75 2.753 -8.310 2.636 1.00 0.00 C ATOM 1134 CG PRO A 75 2.734 -9.695 3.287 1.00 0.00 C ATOM 1135 CD PRO A 75 4.205 -9.986 3.567 1.00 0.00 C ATOM 0 HA PRO A 75 4.472 -6.950 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.819 -7.773 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.898 -8.372 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.144 -9.698 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.297 -10.442 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.321 -10.608 4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.664 -10.525 2.738 1.00 0.00 H new ATOM 1143 N THR A 76 3.457 -5.474 4.232 1.00 0.00 N ATOM 1144 CA THR A 76 3.020 -4.453 5.161 1.00 0.00 C ATOM 1145 C THR A 76 2.318 -3.387 4.335 1.00 0.00 C ATOM 1146 O THR A 76 2.946 -2.633 3.589 1.00 0.00 O ATOM 1147 CB THR A 76 4.216 -3.916 5.960 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.783 -4.982 6.692 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.783 -2.837 6.955 1.00 0.00 C ATOM 0 H THR A 76 3.820 -5.091 3.359 1.00 0.00 H new ATOM 0 HA THR A 76 2.326 -4.841 5.906 1.00 0.00 H new ATOM 0 HB THR A 76 4.930 -3.484 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.757 -4.972 6.583 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.653 -2.478 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.327 -2.007 6.416 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.060 -3.256 7.655 1.00 0.00 H new ATOM 1157 N ILE A 77 0.994 -3.388 4.423 1.00 0.00 N ATOM 1158 CA ILE A 77 0.139 -2.424 3.782 1.00 0.00 C ATOM 1159 C ILE A 77 0.067 -1.231 4.721 1.00 0.00 C ATOM 1160 O ILE A 77 -0.109 -1.399 5.926 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.250 -3.030 3.519 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -1.221 -4.014 2.338 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.249 -1.913 3.189 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.566 -5.361 2.663 1.00 0.00 C ATOM 0 H ILE A 77 0.480 -4.085 4.961 1.00 0.00 H new ATOM 0 HA ILE A 77 0.527 -2.120 2.810 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.551 -3.565 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.242 -4.191 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.686 -3.553 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.232 -2.347 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.311 -1.220 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.915 -1.377 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.585 -5.998 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.467 -5.198 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.113 -5.846 3.471 1.00 0.00 H new ATOM 1176 N MET A 78 0.211 -0.030 4.174 1.00 0.00 N ATOM 1177 CA MET A 78 0.063 1.207 4.915 1.00 0.00 C ATOM 1178 C MET A 78 -1.084 1.983 4.290 1.00 0.00 C ATOM 1179 O MET A 78 -1.371 1.835 3.100 1.00 0.00 O ATOM 1180 CB MET A 78 1.337 2.043 4.866 1.00 0.00 C ATOM 1181 CG MET A 78 2.537 1.376 5.543 1.00 0.00 C ATOM 1182 SD MET A 78 2.318 1.199 7.325 1.00 0.00 S ATOM 1183 CE MET A 78 4.012 0.923 7.868 1.00 0.00 C ATOM 0 H MET A 78 0.437 0.109 3.189 1.00 0.00 H new ATOM 0 HA MET A 78 -0.138 0.981 5.962 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.586 2.249 3.825 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.149 3.004 5.345 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.699 0.393 5.101 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.433 1.965 5.347 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.090 1.130 8.935 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.291 -0.113 7.678 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.682 1.585 7.320 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.716 2.816 5.108 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.858 3.632 4.723 1.00 0.00 C ATOM 1195 C VAL A 79 -2.497 5.094 4.914 1.00 0.00 C ATOM 1196 O VAL A 79 -1.976 5.464 5.971 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.079 3.270 5.581 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.275 4.193 5.292 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.477 1.807 5.343 1.00 0.00 C ATOM 0 H VAL A 79 -1.441 2.945 6.082 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.108 3.448 3.678 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.799 3.406 6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.118 3.903 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.999 5.225 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.557 4.106 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.344 1.561 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.725 1.664 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.646 1.155 5.612 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.803 5.909 3.902 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.590 7.342 3.918 1.00 0.00 C ATOM 1211 C PHE A 80 -3.892 8.023 3.517 1.00 0.00 C ATOM 1212 O PHE A 80 -4.604 7.526 2.646 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.468 7.744 2.952 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.117 7.100 3.201 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.094 5.747 2.879 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.965 7.879 3.649 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.342 5.154 3.126 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.226 7.293 3.842 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.386 5.908 3.684 1.00 0.00 C ATOM 0 H PHE A 80 -3.215 5.574 3.031 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.290 7.652 4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.784 7.500 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.347 8.826 2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.704 5.165 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.825 8.932 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.500 4.113 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.072 7.908 4.112 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.304 5.427 3.989 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.203 9.151 4.152 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.384 9.954 3.881 1.00 0.00 C ATOM 1231 C LYS A 81 -5.013 11.407 4.162 1.00 0.00 C ATOM 1232 O LYS A 81 -4.349 11.703 5.154 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.611 9.455 4.665 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.363 8.809 6.034 1.00 0.00 C ATOM 1235 CD LYS A 81 -5.646 9.751 7.002 1.00 0.00 C ATOM 1236 CE LYS A 81 -5.785 9.292 8.453 1.00 0.00 C ATOM 1237 NZ LYS A 81 -7.146 9.494 8.978 1.00 0.00 N ATOM 0 H LYS A 81 -3.619 9.540 4.892 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.690 9.864 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.284 10.300 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.136 8.731 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.316 8.504 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.768 7.905 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.590 9.807 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.054 10.757 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.524 8.236 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.074 9.838 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.140 9.379 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.472 10.452 8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.789 8.794 8.555 1.00 0.00 H new ATOM 1251 N GLY A 82 -5.377 12.312 3.248 1.00 0.00 N ATOM 1252 CA GLY A 82 -4.928 13.693 3.329 1.00 0.00 C ATOM 1253 C GLY A 82 -3.399 13.709 3.260 1.00 0.00 C ATOM 1254 O GLY A 82 -2.736 14.401 4.028 1.00 0.00 O ATOM 0 H GLY A 82 -5.978 12.108 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.351 14.278 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.270 14.149 4.258 1.00 0.00 H new ATOM 1258 N GLY A 83 -2.832 12.883 2.373 1.00 0.00 N ATOM 1259 CA GLY A 83 -1.395 12.751 2.171 1.00 0.00 C ATOM 1260 C GLY A 83 -0.691 11.929 3.240 1.00 0.00 C ATOM 1261 O GLY A 83 0.122 11.061 2.936 1.00 0.00 O ATOM 0 H GLY A 83 -3.379 12.275 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.216 12.292 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.950 13.746 2.141 1.00 0.00 H new ATOM 1265 N LYS A 84 -0.989 12.225 4.499 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.299 11.672 5.648 1.00 0.00 C ATOM 1267 C LYS A 84 -0.782 10.260 5.980 1.00 0.00 C ATOM 1268 O LYS A 84 -1.877 9.847 5.603 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.462 12.649 6.812 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.034 14.075 6.402 1.00 0.00 C ATOM 1271 CD LYS A 84 1.452 14.219 6.035 1.00 0.00 C ATOM 1272 CE LYS A 84 2.386 13.768 7.165 1.00 0.00 C ATOM 1273 NZ LYS A 84 3.794 14.075 6.854 1.00 0.00 N ATOM 0 H LYS A 84 -1.736 12.872 4.751 1.00 0.00 H new ATOM 0 HA LYS A 84 0.762 11.557 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.501 12.658 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.138 12.315 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.637 14.390 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.260 14.757 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.660 13.632 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.662 15.260 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.101 14.262 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.273 12.696 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.400 13.758 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.072 13.583 5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.905 15.101 6.724 1.00 0.00 H new ATOM 1287 N LYS A 85 0.091 9.530 6.675 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.007 8.113 7.005 1.00 0.00 C ATOM 1289 C LYS A 85 -0.761 7.859 8.308 1.00 0.00 C ATOM 1290 O LYS A 85 -0.793 8.728 9.177 1.00 0.00 O ATOM 1291 CB LYS A 85 1.432 7.598 7.146 1.00 0.00 C ATOM 1292 CG LYS A 85 1.557 6.070 7.256 1.00 0.00 C ATOM 1293 CD LYS A 85 1.848 5.690 8.712 1.00 0.00 C ATOM 1294 CE LYS A 85 1.918 4.176 8.906 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.010 3.835 10.334 1.00 0.00 N ATOM 0 H LYS A 85 0.945 9.946 7.047 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.564 7.601 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.011 7.936 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.881 8.051 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.636 5.593 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.356 5.711 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.792 6.139 9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.072 6.102 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.034 3.708 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.783 3.777 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.836 2.817 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.960 4.070 10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.299 4.376 10.867 1.00 0.00 H new ATOM 1309 N CYS A 86 -1.332 6.658 8.463 1.00 0.00 N ATOM 1310 CA CYS A 86 -1.941 6.231 9.720 1.00 0.00 C ATOM 1311 C CYS A 86 -1.822 4.720 9.919 1.00 0.00 C ATOM 1312 O CYS A 86 -0.954 4.259 10.660 1.00 0.00 O ATOM 1313 CB CYS A 86 -3.412 6.665 9.800 1.00 0.00 C ATOM 1314 SG CYS A 86 -3.548 8.184 10.774 1.00 0.00 S ATOM 0 H CYS A 86 -1.383 5.960 7.721 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.392 6.721 10.524 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.808 6.828 8.798 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.010 5.875 10.255 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.522 8.946 10.535 1.00 0.00 H new ATOM 1320 N GLU A 87 -2.697 3.937 9.280 1.00 0.00 N ATOM 1321 CA GLU A 87 -2.794 2.513 9.565 1.00 0.00 C ATOM 1322 C GLU A 87 -1.628 1.730 8.968 1.00 0.00 C ATOM 1323 O GLU A 87 -1.052 2.122 7.954 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.126 1.938 9.062 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.335 2.858 9.295 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.585 3.168 10.769 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.326 2.269 11.598 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.039 4.301 11.037 1.00 0.00 O ATOM 0 H GLU A 87 -3.344 4.270 8.565 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.750 2.405 10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.040 1.732 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.308 0.984 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.180 3.793 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.225 2.390 8.874 1.00 0.00 H new ATOM 1335 N THR A 88 -1.335 0.605 9.625 1.00 0.00 N ATOM 1336 CA THR A 88 -0.315 -0.380 9.302 1.00 0.00 C ATOM 1337 C THR A 88 -0.998 -1.742 9.403 1.00 0.00 C ATOM 1338 O THR A 88 -1.388 -2.133 10.500 1.00 0.00 O ATOM 1339 CB THR A 88 0.835 -0.263 10.315 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.352 1.049 10.291 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.961 -1.257 10.018 1.00 0.00 C ATOM 0 H THR A 88 -1.851 0.344 10.465 1.00 0.00 H new ATOM 0 HA THR A 88 0.106 -0.235 8.307 1.00 0.00 H new ATOM 0 HB THR A 88 0.434 -0.495 11.302 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.704 1.246 9.398 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.753 -1.141 10.757 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.570 -2.274 10.062 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.362 -1.065 9.023 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.197 -2.429 8.282 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.892 -3.703 8.210 1.00 0.00 C ATOM 1351 C ILE A 89 -0.914 -4.710 7.609 1.00 0.00 C ATOM 1352 O ILE A 89 -0.388 -4.484 6.524 1.00 0.00 O ATOM 1353 CB ILE A 89 -3.168 -3.539 7.355 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -4.065 -2.406 7.900 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.943 -4.864 7.340 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.206 -2.034 6.947 1.00 0.00 C ATOM 0 H ILE A 89 -0.868 -2.102 7.374 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.212 -4.056 9.190 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.874 -3.272 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.485 -2.712 8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.453 -1.524 8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.844 -4.752 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.316 -5.647 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.219 -5.135 8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.800 -1.233 7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.791 -1.699 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.839 -2.905 6.780 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.647 -5.817 8.299 1.00 0.00 N ATOM 1369 CA ILE A 90 0.274 -6.829 7.798 1.00 0.00 C ATOM 1370 C ILE A 90 -0.485 -7.657 6.758 1.00 0.00 C ATOM 1371 O ILE A 90 -1.702 -7.805 6.866 1.00 0.00 O ATOM 1372 CB ILE A 90 0.791 -7.683 8.976 1.00 0.00 C ATOM 1373 CG1 ILE A 90 1.494 -6.764 9.996 1.00 0.00 C ATOM 1374 CG2 ILE A 90 1.763 -8.767 8.481 1.00 0.00 C ATOM 1375 CD1 ILE A 90 2.046 -7.509 11.216 1.00 0.00 C ATOM 0 H ILE A 90 -1.057 -6.034 9.207 1.00 0.00 H new ATOM 0 HA ILE A 90 1.151 -6.387 7.325 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.054 -8.181 9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.312 -6.242 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.789 -6.004 10.333 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.114 -9.356 9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.251 -9.419 7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.614 -8.296 7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.526 -6.799 11.889 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.229 -8.008 11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.776 -8.250 10.890 1.00 0.00 H new ATOM 1387 N GLY A 91 0.212 -8.140 5.723 1.00 0.00 N ATOM 1388 CA GLY A 91 -0.399 -8.982 4.704 1.00 0.00 C ATOM 1389 C GLY A 91 -0.605 -10.396 5.248 1.00 0.00 C ATOM 1390 O GLY A 91 -1.028 -10.554 6.390 1.00 0.00 O ATOM 0 H GLY A 91 1.204 -7.957 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.355 -8.559 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.235 -9.013 3.818 1.00 0.00 H new ATOM 1394 N ALA A 92 -0.319 -11.438 4.454 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.569 -12.844 4.790 1.00 0.00 C ATOM 1396 C ALA A 92 -2.075 -13.151 4.756 1.00 0.00 C ATOM 1397 O ALA A 92 -2.491 -14.132 4.144 1.00 0.00 O ATOM 1398 CB ALA A 92 0.069 -13.246 6.127 1.00 0.00 C ATOM 0 H ALA A 92 0.105 -11.320 3.534 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.085 -13.455 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.144 -14.295 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.148 -13.099 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.343 -12.630 6.926 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.894 -12.295 5.366 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.343 -12.415 5.366 1.00 0.00 C ATOM 1406 C VAL A 93 -4.855 -11.917 4.006 1.00 0.00 C ATOM 1407 O VAL A 93 -4.223 -11.043 3.408 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.949 -11.600 6.525 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.460 -12.139 7.876 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.656 -10.093 6.444 1.00 0.00 C ATOM 0 H VAL A 93 -2.557 -11.483 5.884 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.642 -13.453 5.514 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.029 -11.720 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.898 -11.551 8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.760 -13.181 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.373 -12.068 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.115 -9.587 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.578 -9.930 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.067 -9.692 5.518 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.966 -12.457 3.475 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.471 -12.036 2.177 1.00 0.00 C ATOM 1422 C PRO A 94 -6.849 -10.555 2.171 1.00 0.00 C ATOM 1423 O PRO A 94 -7.249 -10.009 3.200 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.702 -12.902 1.897 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.500 -14.124 2.791 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.777 -13.544 4.005 1.00 0.00 C ATOM 0 HA PRO A 94 -5.706 -12.160 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.625 -12.376 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.763 -13.182 0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.449 -14.583 3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.906 -14.893 2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.485 -13.181 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.158 -14.297 4.493 1.00 0.00 H new ATOM 1434 N LYS A 95 -6.790 -9.926 0.994 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.155 -8.535 0.792 1.00 0.00 C ATOM 1436 C LYS A 95 -8.528 -8.234 1.376 1.00 0.00 C ATOM 1437 O LYS A 95 -8.722 -7.161 1.923 1.00 0.00 O ATOM 1438 CB LYS A 95 -7.147 -8.205 -0.699 1.00 0.00 C ATOM 1439 CG LYS A 95 -5.736 -8.170 -1.301 1.00 0.00 C ATOM 1440 CD LYS A 95 -4.775 -7.157 -0.662 1.00 0.00 C ATOM 1441 CE LYS A 95 -5.337 -5.729 -0.662 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.343 -4.757 -0.178 1.00 0.00 N ATOM 0 H LYS A 95 -6.479 -10.387 0.139 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.421 -7.916 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.744 -8.945 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.625 -7.238 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.298 -9.165 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.818 -7.947 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.563 -7.460 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.828 -7.171 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.649 -5.460 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.225 -5.687 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.756 -3.803 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.064 -5.000 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.506 -4.780 -0.794 1.00 0.00 H new ATOM 1456 N ALA A 96 -9.480 -9.163 1.276 1.00 0.00 N ATOM 1457 CA ALA A 96 -10.805 -9.013 1.880 1.00 0.00 C ATOM 1458 C ALA A 96 -10.700 -8.545 3.343 1.00 0.00 C ATOM 1459 O ALA A 96 -11.452 -7.678 3.789 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.547 -10.350 1.800 1.00 0.00 C ATOM 0 H ALA A 96 -9.354 -10.042 0.773 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.359 -8.252 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.535 -10.245 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.652 -10.646 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.983 -11.112 2.338 1.00 0.00 H new ATOM 1466 N THR A 97 -9.751 -9.107 4.092 1.00 0.00 N ATOM 1467 CA THR A 97 -9.499 -8.748 5.480 1.00 0.00 C ATOM 1468 C THR A 97 -9.072 -7.276 5.542 1.00 0.00 C ATOM 1469 O THR A 97 -9.583 -6.487 6.338 1.00 0.00 O ATOM 1470 CB THR A 97 -8.406 -9.682 6.044 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.480 -10.949 5.425 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.563 -9.891 7.549 1.00 0.00 C ATOM 0 H THR A 97 -9.128 -9.835 3.742 1.00 0.00 H new ATOM 0 HA THR A 97 -10.397 -8.868 6.085 1.00 0.00 H new ATOM 0 HB THR A 97 -7.447 -9.205 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.942 -10.945 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.776 -10.554 7.908 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.490 -8.931 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.536 -10.338 7.755 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.138 -6.907 4.662 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.583 -5.568 4.553 1.00 0.00 C ATOM 1482 C ILE A 98 -8.682 -4.573 4.155 1.00 0.00 C ATOM 1483 O ILE A 98 -8.728 -3.477 4.702 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.375 -5.601 3.589 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.351 -6.623 4.128 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -5.760 -4.198 3.468 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -3.961 -6.519 3.498 1.00 0.00 C ATOM 0 H ILE A 98 -7.738 -7.558 3.986 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.207 -5.218 5.514 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.690 -5.905 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.258 -6.492 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.738 -7.628 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.910 -4.231 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.508 -3.505 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.426 -3.861 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.306 -7.273 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.036 -6.682 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.549 -5.528 3.687 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.581 -4.951 3.244 1.00 0.00 N ATOM 1500 CA VAL A 99 -10.715 -4.149 2.810 1.00 0.00 C ATOM 1501 C VAL A 99 -11.562 -3.820 4.037 1.00 0.00 C ATOM 1502 O VAL A 99 -11.757 -2.656 4.371 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.514 -4.921 1.742 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -12.937 -4.386 1.548 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -10.776 -4.869 0.401 1.00 0.00 C ATOM 0 H VAL A 99 -9.533 -5.856 2.775 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.387 -3.215 2.354 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.597 -5.947 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.445 -4.973 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.485 -4.461 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.894 -3.343 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.346 -5.417 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.665 -3.831 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.791 -5.322 0.510 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.043 -4.852 4.730 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.853 -4.673 5.927 1.00 0.00 C ATOM 1517 C GLN A 100 -12.131 -3.759 6.924 1.00 0.00 C ATOM 1518 O GLN A 100 -12.720 -2.819 7.458 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.146 -6.055 6.525 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.522 -6.602 6.119 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.910 -6.439 4.650 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.959 -5.888 4.343 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -14.105 -6.943 3.722 1.00 0.00 N ATOM 0 H GLN A 100 -11.882 -5.827 4.477 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.798 -4.190 5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.374 -6.755 6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.091 -5.994 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.554 -7.663 6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.279 -6.110 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.234 -7.399 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.357 -6.874 2.736 1.00 0.00 H new ATOM 1532 N THR A 101 -10.843 -4.021 7.152 1.00 0.00 N ATOM 1533 CA THR A 101 -10.050 -3.233 8.084 1.00 0.00 C ATOM 1534 C THR A 101 -9.992 -1.761 7.656 1.00 0.00 C ATOM 1535 O THR A 101 -10.279 -0.883 8.462 1.00 0.00 O ATOM 1536 CB THR A 101 -8.644 -3.840 8.214 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.742 -5.191 8.615 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.810 -3.107 9.269 1.00 0.00 C ATOM 0 H THR A 101 -10.329 -4.777 6.700 1.00 0.00 H new ATOM 0 HA THR A 101 -10.528 -3.260 9.063 1.00 0.00 H new ATOM 0 HB THR A 101 -8.162 -3.749 7.241 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.948 -5.749 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.822 -3.563 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.708 -2.059 8.988 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.306 -3.176 10.237 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.622 -1.464 6.408 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.463 -0.085 5.961 1.00 0.00 C ATOM 1548 C VAL A 102 -10.802 0.644 5.963 1.00 0.00 C ATOM 1549 O VAL A 102 -10.900 1.774 6.440 1.00 0.00 O ATOM 1550 CB VAL A 102 -8.751 -0.050 4.599 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.608 -0.310 3.359 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.044 1.297 4.416 1.00 0.00 C ATOM 0 H VAL A 102 -9.428 -2.163 5.691 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.827 0.455 6.663 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.061 -0.892 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.983 -0.256 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.057 -1.301 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.395 0.442 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.541 1.316 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.778 2.102 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.309 1.433 5.210 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.836 -0.027 5.459 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.192 0.498 5.399 1.00 0.00 C ATOM 1564 C GLU A 103 -13.643 1.046 6.754 1.00 0.00 C ATOM 1565 O GLU A 103 -14.291 2.087 6.809 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.142 -0.605 4.930 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.067 -0.825 3.412 1.00 0.00 C ATOM 1568 CD GLU A 103 -14.939 -1.990 2.953 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.230 -2.863 3.800 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.285 -2.005 1.753 1.00 0.00 O ATOM 0 H GLU A 103 -11.750 -0.968 5.075 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.210 1.325 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.898 -1.535 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.163 -0.346 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.380 0.085 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.032 -1.013 3.125 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.293 0.364 7.849 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.687 0.807 9.185 1.00 0.00 C ATOM 1579 C LYS A 104 -13.144 2.213 9.493 1.00 0.00 C ATOM 1580 O LYS A 104 -13.740 2.935 10.288 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.261 -0.234 10.241 1.00 0.00 C ATOM 1582 CG LYS A 104 -11.944 0.083 10.968 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.372 -1.137 11.699 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.314 -1.658 12.790 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.699 -2.768 13.538 1.00 0.00 N ATOM 0 H LYS A 104 -12.740 -0.493 7.834 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.774 0.884 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -14.055 -0.324 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.166 -1.205 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.212 0.447 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.112 0.887 11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.180 -1.932 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.413 -0.873 12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.564 -0.848 13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.248 -1.993 12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.359 -3.101 14.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.483 -3.549 12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.821 -2.439 13.987 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.000 2.583 8.904 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.380 3.888 9.091 1.00 0.00 C ATOM 1601 C TYR A 105 -11.874 4.860 8.019 1.00 0.00 C ATOM 1602 O TYR A 105 -12.152 6.018 8.322 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.852 3.748 9.039 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.274 2.874 10.135 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.286 3.319 11.469 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.753 1.604 9.829 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.796 2.492 12.494 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.269 0.775 10.854 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.291 1.217 12.186 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.866 0.386 13.179 1.00 0.00 O ATOM 0 H TYR A 105 -11.477 1.972 8.277 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.659 4.285 10.067 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.568 3.334 8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.404 4.740 9.105 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.673 4.299 11.706 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.725 1.266 8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.807 2.836 13.518 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.879 -0.204 10.617 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.549 -0.455 12.788 1.00 0.00 H new ATOM 1620 N LEU A 106 -11.936 4.400 6.765 1.00 0.00 N ATOM 1621 CA LEU A 106 -12.403 5.191 5.636 1.00 0.00 C ATOM 1622 C LEU A 106 -13.890 4.893 5.403 1.00 0.00 C ATOM 1623 O LEU A 106 -14.734 5.355 6.167 1.00 0.00 O ATOM 1624 CB LEU A 106 -11.528 4.894 4.405 1.00 0.00 C ATOM 1625 CG LEU A 106 -10.037 5.225 4.593 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -9.308 4.903 3.285 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -9.794 6.694 4.957 1.00 0.00 C ATOM 0 H LEU A 106 -11.658 3.453 6.509 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.311 6.258 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.625 3.838 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -11.910 5.462 3.557 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.661 4.626 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.247 5.130 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.431 3.846 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.726 5.504 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.725 6.867 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.179 7.334 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.306 6.927 5.891 1.00 0.00 H new ATOM 1639 N ASN A 107 -14.216 4.156 4.339 1.00 0.00 N ATOM 1640 CA ASN A 107 -15.545 3.731 3.941 1.00 0.00 C ATOM 1641 C ASN A 107 -15.287 2.704 2.838 1.00 0.00 C ATOM 1642 O ASN A 107 -14.125 2.679 2.365 1.00 0.00 O ATOM 1643 CB ASN A 107 -16.372 4.922 3.424 1.00 0.00 C ATOM 1644 CG ASN A 107 -17.882 4.670 3.400 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -18.658 5.531 3.802 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -18.339 3.519 2.923 1.00 0.00 N ATOM 1647 OXT ASN A 107 -16.237 1.984 2.466 1.00 0.00 O ATOM 0 H ASN A 107 -13.502 3.821 3.692 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.122 3.315 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -16.169 5.791 4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.040 5.171 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -19.343 3.344 2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -17.686 2.809 2.591 1.00 0.00 H new TER 1654 ASN A 107