USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 Single : A 1 THR N :NH3+ 158:sc= 1.32 (180deg=1.21) USER MOD Single : A 1 THR OG1 : rot 99:sc= 1.01 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.924 K(o=0.92,f=-0.023) USER MOD Single : A 14 ASN : amide:sc= 0.602 K(o=0.6,f=0) USER MOD Single : A 21 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.6 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -84:sc= 1.25 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.145 K(o=0.15,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -7.520 -2.886 6.321 1.00 0.00 N ATOM 2 CA THR A 1 -6.100 -3.278 6.271 1.00 0.00 C ATOM 3 C THR A 1 -5.538 -3.041 4.874 1.00 0.00 C ATOM 4 O THR A 1 -6.160 -3.402 3.874 1.00 0.00 O ATOM 5 CB THR A 1 -5.920 -4.759 6.649 1.00 0.00 C ATOM 6 OG1 THR A 1 -6.704 -5.059 7.811 1.00 0.00 O ATOM 7 CG2 THR A 1 -4.456 -5.075 6.924 1.00 0.00 C ATOM 0 H1 THR A 1 -7.987 -3.374 7.112 1.00 0.00 H new ATOM 0 H2 THR A 1 -7.592 -1.857 6.458 1.00 0.00 H new ATOM 0 H3 THR A 1 -7.985 -3.150 5.429 1.00 0.00 H new ATOM 0 HA THR A 1 -5.559 -2.666 6.992 1.00 0.00 H new ATOM 0 HB THR A 1 -6.254 -5.372 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 1 -7.544 -5.483 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 1 -4.354 -6.127 7.189 1.00 0.00 H new ATOM 0 HG22 THR A 1 -3.865 -4.867 6.032 1.00 0.00 H new ATOM 0 HG23 THR A 1 -4.099 -4.457 7.748 1.00 0.00 H new ATOM 17 N THR A 2 -4.379 -2.412 4.810 1.00 0.00 N ATOM 18 CA THR A 2 -3.736 -2.134 3.544 1.00 0.00 C ATOM 19 C THR A 2 -2.594 -3.116 3.307 1.00 0.00 C ATOM 20 O THR A 2 -1.715 -3.278 4.155 1.00 0.00 O ATOM 21 CB THR A 2 -3.203 -0.696 3.525 1.00 0.00 C ATOM 22 OG1 THR A 2 -4.205 0.182 4.049 1.00 0.00 O ATOM 23 CG2 THR A 2 -2.840 -0.259 2.118 1.00 0.00 C ATOM 0 H THR A 2 -3.863 -2.083 5.626 1.00 0.00 H new ATOM 0 HA THR A 2 -4.471 -2.248 2.747 1.00 0.00 H new ATOM 0 HB THR A 2 -2.302 -0.656 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.870 1.103 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.466 0.765 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.069 -0.919 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.724 -0.308 1.482 1.00 0.00 H new ATOM 31 N CYS A 3 -2.623 -3.774 2.162 1.00 0.00 N ATOM 32 CA CYS A 3 -1.615 -4.763 1.816 1.00 0.00 C ATOM 33 C CYS A 3 -1.135 -4.510 0.395 1.00 0.00 C ATOM 34 O CYS A 3 -1.921 -4.580 -0.547 1.00 0.00 O ATOM 35 CB CYS A 3 -2.182 -6.190 1.954 1.00 0.00 C ATOM 36 SG CYS A 3 -2.867 -6.569 3.611 1.00 0.00 S ATOM 0 H CYS A 3 -3.340 -3.640 1.449 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.772 -4.674 2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.965 -6.332 1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.392 -6.906 1.727 1.00 0.00 H new ATOM 41 N CYS A 4 0.139 -4.181 0.243 1.00 0.00 N ATOM 42 CA CYS A 4 0.670 -3.805 -1.055 1.00 0.00 C ATOM 43 C CYS A 4 1.303 -5.000 -1.765 1.00 0.00 C ATOM 44 O CYS A 4 1.571 -6.028 -1.147 1.00 0.00 O ATOM 45 CB CYS A 4 1.688 -2.676 -0.885 1.00 0.00 C ATOM 46 SG CYS A 4 1.012 -1.174 -0.094 1.00 0.00 S ATOM 0 H CYS A 4 0.821 -4.167 1.001 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.153 -3.455 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.524 -3.042 -0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.086 -2.410 -1.864 1.00 0.00 H new ATOM 51 N PRO A 5 1.489 -4.887 -3.095 1.00 0.00 N ATOM 52 CA PRO A 5 2.172 -5.900 -3.912 1.00 0.00 C ATOM 53 C PRO A 5 3.460 -6.417 -3.288 1.00 0.00 C ATOM 54 O PRO A 5 3.569 -7.588 -2.934 1.00 0.00 O ATOM 55 CB PRO A 5 2.497 -5.124 -5.180 1.00 0.00 C ATOM 56 CG PRO A 5 1.357 -4.185 -5.327 1.00 0.00 C ATOM 57 CD PRO A 5 0.997 -3.770 -3.927 1.00 0.00 C ATOM 0 HA PRO A 5 1.556 -6.789 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.444 -4.592 -5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.583 -5.786 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.634 -3.323 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.514 -4.666 -5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.472 -2.828 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.078 -3.630 -3.815 1.00 0.00 H new ATOM 65 N SER A 6 4.442 -5.542 -3.189 1.00 0.00 N ATOM 66 CA SER A 6 5.704 -5.891 -2.578 1.00 0.00 C ATOM 67 C SER A 6 6.070 -4.877 -1.502 1.00 0.00 C ATOM 68 O SER A 6 5.495 -3.789 -1.435 1.00 0.00 O ATOM 69 CB SER A 6 6.801 -5.966 -3.642 1.00 0.00 C ATOM 70 OG SER A 6 8.011 -6.475 -3.106 1.00 0.00 O ATOM 0 H SER A 6 4.387 -4.581 -3.526 1.00 0.00 H new ATOM 0 HA SER A 6 5.608 -6.870 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.470 -6.602 -4.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.975 -4.973 -4.057 1.00 0.00 H new ATOM 0 HG SER A 6 8.691 -6.512 -3.811 1.00 0.00 H new ATOM 76 N ILE A 7 7.028 -5.244 -0.660 1.00 0.00 N ATOM 77 CA ILE A 7 7.500 -4.370 0.411 1.00 0.00 C ATOM 78 C ILE A 7 8.087 -3.080 -0.167 1.00 0.00 C ATOM 79 O ILE A 7 8.131 -2.043 0.498 1.00 0.00 O ATOM 80 CB ILE A 7 8.566 -5.079 1.276 1.00 0.00 C ATOM 81 CG1 ILE A 7 8.028 -6.425 1.768 1.00 0.00 C ATOM 82 CG2 ILE A 7 8.970 -4.203 2.456 1.00 0.00 C ATOM 83 CD1 ILE A 7 9.030 -7.245 2.553 1.00 0.00 C ATOM 0 H ILE A 7 7.498 -6.149 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 7 6.644 -4.125 1.040 1.00 0.00 H new ATOM 0 HB ILE A 7 9.451 -5.255 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.152 -6.247 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.694 -7.006 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.721 -4.720 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.383 -3.264 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.095 -3.998 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.569 -8.182 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.897 -7.457 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.347 -6.687 3.434 1.00 0.00 H new ATOM 95 N VAL A 8 8.526 -3.151 -1.418 1.00 0.00 N ATOM 96 CA VAL A 8 9.053 -1.986 -2.119 1.00 0.00 C ATOM 97 C VAL A 8 7.992 -0.889 -2.205 1.00 0.00 C ATOM 98 O VAL A 8 8.292 0.299 -2.066 1.00 0.00 O ATOM 99 CB VAL A 8 9.519 -2.357 -3.538 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.205 -1.178 -4.207 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.437 -3.569 -3.481 1.00 0.00 C ATOM 0 H VAL A 8 8.527 -4.008 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 8 9.909 -1.619 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 8 8.647 -2.613 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.526 -1.464 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.509 -0.342 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.073 -0.881 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.763 -3.826 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.307 -3.338 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.900 -4.412 -3.047 1.00 0.00 H new ATOM 111 N ALA A 9 6.748 -1.304 -2.426 1.00 0.00 N ATOM 112 CA ALA A 9 5.623 -0.383 -2.493 1.00 0.00 C ATOM 113 C ALA A 9 5.379 0.271 -1.140 1.00 0.00 C ATOM 114 O ALA A 9 5.099 1.462 -1.072 1.00 0.00 O ATOM 115 CB ALA A 9 4.373 -1.105 -2.976 1.00 0.00 C ATOM 0 H ALA A 9 6.495 -2.283 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 9 5.865 0.403 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.541 -0.402 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.552 -1.518 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.129 -1.912 -2.285 1.00 0.00 H new ATOM 121 N ARG A 10 5.505 -0.512 -0.068 1.00 0.00 N ATOM 122 CA ARG A 10 5.365 0.015 1.290 1.00 0.00 C ATOM 123 C ARG A 10 6.388 1.128 1.527 1.00 0.00 C ATOM 124 O ARG A 10 6.062 2.193 2.060 1.00 0.00 O ATOM 125 CB ARG A 10 5.560 -1.099 2.328 1.00 0.00 C ATOM 126 CG ARG A 10 5.406 -0.623 3.766 1.00 0.00 C ATOM 127 CD ARG A 10 6.003 -1.605 4.759 1.00 0.00 C ATOM 128 NE ARG A 10 5.274 -2.874 4.817 1.00 0.00 N ATOM 129 CZ ARG A 10 5.508 -3.820 5.728 1.00 0.00 C ATOM 130 NH1 ARG A 10 6.387 -3.610 6.701 1.00 0.00 N ATOM 131 NH2 ARG A 10 4.835 -4.959 5.677 1.00 0.00 N ATOM 0 H ARG A 10 5.703 -1.511 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 10 4.359 0.420 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.838 -1.893 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.552 -1.533 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.890 0.347 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.349 -0.480 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.041 -1.800 4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.011 -1.151 5.750 1.00 0.00 H new ATOM 0 HE ARG A 10 4.547 -3.044 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.887 -2.722 6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.563 -4.336 7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.142 -5.109 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.010 -5.686 6.371 1.00 0.00 H new ATOM 145 N SER A 11 7.622 0.877 1.106 1.00 0.00 N ATOM 146 CA SER A 11 8.701 1.844 1.264 1.00 0.00 C ATOM 147 C SER A 11 8.404 3.116 0.471 1.00 0.00 C ATOM 148 O SER A 11 8.473 4.226 1.005 1.00 0.00 O ATOM 149 CB SER A 11 10.027 1.232 0.803 1.00 0.00 C ATOM 150 OG SER A 11 11.114 2.112 1.031 1.00 0.00 O ATOM 0 H SER A 11 7.901 0.008 0.651 1.00 0.00 H new ATOM 0 HA SER A 11 8.779 2.106 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.199 0.295 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.968 0.992 -0.259 1.00 0.00 H new ATOM 0 HG SER A 11 11.945 1.691 0.727 1.00 0.00 H new ATOM 156 N ASN A 12 8.042 2.938 -0.796 1.00 0.00 N ATOM 157 CA ASN A 12 7.735 4.062 -1.678 1.00 0.00 C ATOM 158 C ASN A 12 6.500 4.812 -1.194 1.00 0.00 C ATOM 159 O ASN A 12 6.397 6.022 -1.374 1.00 0.00 O ATOM 160 CB ASN A 12 7.531 3.584 -3.123 1.00 0.00 C ATOM 161 CG ASN A 12 8.838 3.364 -3.867 1.00 0.00 C ATOM 162 OD1 ASN A 12 9.355 4.270 -4.515 1.00 0.00 O ATOM 163 ND2 ASN A 12 9.376 2.157 -3.788 1.00 0.00 N ATOM 0 H ASN A 12 7.954 2.023 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 12 8.585 4.744 -1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.963 2.654 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.932 4.319 -3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.249 1.955 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.918 1.429 -3.240 1.00 0.00 H new ATOM 170 N PHE A 13 5.579 4.089 -0.563 1.00 0.00 N ATOM 171 CA PHE A 13 4.374 4.689 0.000 1.00 0.00 C ATOM 172 C PHE A 13 4.744 5.760 1.020 1.00 0.00 C ATOM 173 O PHE A 13 4.233 6.880 0.970 1.00 0.00 O ATOM 174 CB PHE A 13 3.500 3.614 0.660 1.00 0.00 C ATOM 175 CG PHE A 13 2.223 4.138 1.254 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.097 4.314 0.468 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.151 4.449 2.603 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.078 4.791 1.017 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.980 4.927 3.156 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.136 5.098 2.362 1.00 0.00 C ATOM 0 H PHE A 13 5.646 3.080 -0.428 1.00 0.00 H new ATOM 0 HA PHE A 13 3.809 5.153 -0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.257 2.853 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.077 3.123 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.137 4.076 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.021 4.316 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.950 4.924 0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.937 5.167 4.208 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.054 5.471 2.792 1.00 0.00 H new ATOM 190 N ASN A 14 5.649 5.414 1.931 1.00 0.00 N ATOM 191 CA ASN A 14 6.104 6.350 2.954 1.00 0.00 C ATOM 192 C ASN A 14 6.830 7.526 2.314 1.00 0.00 C ATOM 193 O ASN A 14 6.644 8.672 2.720 1.00 0.00 O ATOM 194 CB ASN A 14 7.021 5.651 3.974 1.00 0.00 C ATOM 195 CG ASN A 14 6.262 4.757 4.946 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.810 5.209 5.996 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.119 3.482 4.607 1.00 0.00 N ATOM 0 H ASN A 14 6.082 4.492 1.982 1.00 0.00 H new ATOM 0 HA ASN A 14 5.227 6.723 3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.759 5.052 3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.570 6.406 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.621 2.843 5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.507 3.142 3.727 1.00 0.00 H new ATOM 204 N VAL A 15 7.636 7.237 1.298 1.00 0.00 N ATOM 205 CA VAL A 15 8.394 8.272 0.598 1.00 0.00 C ATOM 206 C VAL A 15 7.469 9.202 -0.186 1.00 0.00 C ATOM 207 O VAL A 15 7.672 10.412 -0.217 1.00 0.00 O ATOM 208 CB VAL A 15 9.431 7.659 -0.363 1.00 0.00 C ATOM 209 CG1 VAL A 15 10.211 8.753 -1.081 1.00 0.00 C ATOM 210 CG2 VAL A 15 10.368 6.736 0.398 1.00 0.00 C ATOM 0 H VAL A 15 7.782 6.294 0.939 1.00 0.00 H new ATOM 0 HA VAL A 15 8.917 8.849 1.361 1.00 0.00 H new ATOM 0 HB VAL A 15 8.905 7.072 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.938 8.299 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.523 9.374 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.731 9.370 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.096 6.308 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.888 7.302 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.792 5.934 0.861 1.00 0.00 H new ATOM 220 N CYS A 16 6.458 8.625 -0.810 1.00 0.00 N ATOM 221 CA CYS A 16 5.481 9.389 -1.573 1.00 0.00 C ATOM 222 C CYS A 16 4.681 10.311 -0.666 1.00 0.00 C ATOM 223 O CYS A 16 4.437 11.466 -0.999 1.00 0.00 O ATOM 224 CB CYS A 16 4.542 8.432 -2.304 1.00 0.00 C ATOM 225 SG CYS A 16 3.158 9.244 -3.165 1.00 0.00 S ATOM 0 H CYS A 16 6.289 7.619 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 16 6.012 10.005 -2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.120 7.860 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.138 7.719 -1.585 1.00 0.00 H new ATOM 230 N ARG A 17 4.303 9.795 0.494 1.00 0.00 N ATOM 231 CA ARG A 17 3.450 10.518 1.425 1.00 0.00 C ATOM 232 C ARG A 17 4.254 11.538 2.244 1.00 0.00 C ATOM 233 O ARG A 17 3.684 12.451 2.847 1.00 0.00 O ATOM 234 CB ARG A 17 2.750 9.500 2.332 1.00 0.00 C ATOM 235 CG ARG A 17 1.820 10.095 3.375 1.00 0.00 C ATOM 236 CD ARG A 17 1.035 8.996 4.067 1.00 0.00 C ATOM 237 NE ARG A 17 0.314 9.469 5.249 1.00 0.00 N ATOM 238 CZ ARG A 17 0.195 8.762 6.375 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.775 7.573 6.472 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.502 9.241 7.399 1.00 0.00 N ATOM 0 H ARG A 17 4.578 8.867 0.816 1.00 0.00 H new ATOM 0 HA ARG A 17 2.703 11.086 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.178 8.814 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.510 8.908 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.397 10.657 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.135 10.799 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.324 8.565 3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.717 8.198 4.359 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.122 10.390 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.310 7.201 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.686 7.031 7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.950 10.154 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.589 8.695 8.256 1.00 0.00 H new ATOM 254 N LEU A 18 5.577 11.391 2.229 1.00 0.00 N ATOM 255 CA LEU A 18 6.475 12.258 3.004 1.00 0.00 C ATOM 256 C LEU A 18 6.293 13.747 2.644 1.00 0.00 C ATOM 257 O LEU A 18 6.099 14.567 3.539 1.00 0.00 O ATOM 258 CB LEU A 18 7.939 11.807 2.810 1.00 0.00 C ATOM 259 CG LEU A 18 8.989 12.433 3.744 1.00 0.00 C ATOM 260 CD1 LEU A 18 10.226 11.551 3.788 1.00 0.00 C ATOM 261 CD2 LEU A 18 9.383 13.829 3.282 1.00 0.00 C ATOM 0 H LEU A 18 6.058 10.675 1.685 1.00 0.00 H new ATOM 0 HA LEU A 18 6.215 12.159 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.979 10.724 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.227 12.024 1.781 1.00 0.00 H new ATOM 0 HG LEU A 18 8.549 12.512 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.968 11.997 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.955 10.563 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.643 11.459 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.126 14.242 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.803 13.775 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.502 14.471 3.273 1.00 0.00 H new ATOM 273 N PRO A 19 6.339 14.129 1.341 1.00 0.00 N ATOM 274 CA PRO A 19 6.197 15.531 0.920 1.00 0.00 C ATOM 275 C PRO A 19 4.765 16.055 1.048 1.00 0.00 C ATOM 276 O PRO A 19 4.459 17.152 0.585 1.00 0.00 O ATOM 277 CB PRO A 19 6.616 15.520 -0.559 1.00 0.00 C ATOM 278 CG PRO A 19 7.200 14.173 -0.804 1.00 0.00 C ATOM 279 CD PRO A 19 6.543 13.259 0.181 1.00 0.00 C ATOM 0 HA PRO A 19 6.799 16.187 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.760 15.699 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.343 16.305 -0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.013 13.846 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.281 14.184 -0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.601 12.864 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.174 12.403 0.422 1.00 0.00 H new ATOM 287 N GLY A 20 3.888 15.269 1.663 1.00 0.00 N ATOM 288 CA GLY A 20 2.524 15.713 1.877 1.00 0.00 C ATOM 289 C GLY A 20 1.543 15.167 0.856 1.00 0.00 C ATOM 290 O GLY A 20 0.498 15.772 0.608 1.00 0.00 O ATOM 0 H GLY A 20 4.097 14.335 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.204 15.411 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.496 16.802 1.850 1.00 0.00 H new ATOM 294 N THR A 21 1.865 14.032 0.257 1.00 0.00 N ATOM 295 CA THR A 21 0.961 13.407 -0.693 1.00 0.00 C ATOM 296 C THR A 21 -0.007 12.474 0.039 1.00 0.00 C ATOM 297 O THR A 21 0.411 11.658 0.857 1.00 0.00 O ATOM 298 CB THR A 21 1.739 12.617 -1.765 1.00 0.00 C ATOM 299 OG1 THR A 21 2.916 13.328 -2.137 1.00 0.00 O ATOM 300 CG2 THR A 21 0.900 12.396 -3.008 1.00 0.00 C ATOM 0 H THR A 21 2.739 13.528 0.410 1.00 0.00 H new ATOM 0 HA THR A 21 0.397 14.196 -1.191 1.00 0.00 H new ATOM 0 HB THR A 21 1.998 11.650 -1.334 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.691 12.941 -1.678 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.479 11.836 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.004 11.833 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.613 13.359 -3.429 1.00 0.00 H new ATOM 308 N PRO A 22 -1.316 12.607 -0.233 1.00 0.00 N ATOM 309 CA PRO A 22 -2.355 11.783 0.392 1.00 0.00 C ATOM 310 C PRO A 22 -2.107 10.288 0.218 1.00 0.00 C ATOM 311 O PRO A 22 -1.715 9.826 -0.858 1.00 0.00 O ATOM 312 CB PRO A 22 -3.646 12.202 -0.327 1.00 0.00 C ATOM 313 CG PRO A 22 -3.204 12.962 -1.531 1.00 0.00 C ATOM 314 CD PRO A 22 -1.885 13.579 -1.170 1.00 0.00 C ATOM 0 HA PRO A 22 -2.388 11.938 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.239 11.331 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.272 12.819 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.103 12.303 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.933 13.727 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.250 13.716 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.010 14.559 -0.710 1.00 0.00 H new ATOM 322 N GLU A 23 -2.347 9.556 1.296 1.00 0.00 N ATOM 323 CA GLU A 23 -2.159 8.108 1.351 1.00 0.00 C ATOM 324 C GLU A 23 -2.751 7.418 0.128 1.00 0.00 C ATOM 325 O GLU A 23 -2.055 6.696 -0.587 1.00 0.00 O ATOM 326 CB GLU A 23 -2.828 7.528 2.603 1.00 0.00 C ATOM 327 CG GLU A 23 -2.362 8.137 3.913 1.00 0.00 C ATOM 328 CD GLU A 23 -2.876 9.546 4.116 1.00 0.00 C ATOM 329 OE1 GLU A 23 -4.063 9.702 4.451 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.101 10.498 3.897 1.00 0.00 O ATOM 0 H GLU A 23 -2.683 9.955 2.173 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.084 7.928 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.906 7.664 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.644 6.454 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.696 7.510 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.272 8.145 3.938 1.00 0.00 H new ATOM 337 N ALA A 24 -4.041 7.657 -0.105 1.00 0.00 N ATOM 338 CA ALA A 24 -4.778 6.999 -1.180 1.00 0.00 C ATOM 339 C ALA A 24 -4.120 7.213 -2.534 1.00 0.00 C ATOM 340 O ALA A 24 -4.041 6.289 -3.342 1.00 0.00 O ATOM 341 CB ALA A 24 -6.213 7.499 -1.224 1.00 0.00 C ATOM 0 H ALA A 24 -4.601 8.309 0.444 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.771 5.930 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.748 6.998 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.703 7.283 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.218 8.575 -1.398 1.00 0.00 H new ATOM 347 N LEU A 25 -3.629 8.425 -2.768 1.00 0.00 N ATOM 348 CA LEU A 25 -3.042 8.767 -4.051 1.00 0.00 C ATOM 349 C LEU A 25 -1.809 7.907 -4.289 1.00 0.00 C ATOM 350 O LEU A 25 -1.627 7.343 -5.370 1.00 0.00 O ATOM 351 CB LEU A 25 -2.675 10.254 -4.097 1.00 0.00 C ATOM 352 CG LEU A 25 -2.972 10.973 -5.421 1.00 0.00 C ATOM 353 CD1 LEU A 25 -2.597 12.442 -5.327 1.00 0.00 C ATOM 354 CD2 LEU A 25 -2.233 10.324 -6.583 1.00 0.00 C ATOM 0 H LEU A 25 -3.627 9.183 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.771 8.575 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.211 10.766 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.611 10.354 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.043 10.889 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.815 12.934 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.173 12.914 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.533 12.533 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.465 10.857 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.159 10.366 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.545 9.284 -6.677 1.00 0.00 H new ATOM 366 N CYS A 26 -0.988 7.782 -3.254 1.00 0.00 N ATOM 367 CA CYS A 26 0.231 6.992 -3.339 1.00 0.00 C ATOM 368 C CYS A 26 -0.093 5.503 -3.444 1.00 0.00 C ATOM 369 O CYS A 26 0.603 4.753 -4.130 1.00 0.00 O ATOM 370 CB CYS A 26 1.116 7.248 -2.118 1.00 0.00 C ATOM 371 SG CYS A 26 1.589 8.994 -1.898 1.00 0.00 S ATOM 0 H CYS A 26 -1.145 8.218 -2.346 1.00 0.00 H new ATOM 0 HA CYS A 26 0.769 7.294 -4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.592 6.909 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.020 6.645 -2.205 1.00 0.00 H new ATOM 376 N ALA A 27 -1.162 5.082 -2.774 1.00 0.00 N ATOM 377 CA ALA A 27 -1.569 3.683 -2.783 1.00 0.00 C ATOM 378 C ALA A 27 -2.039 3.268 -4.173 1.00 0.00 C ATOM 379 O ALA A 27 -1.741 2.166 -4.639 1.00 0.00 O ATOM 380 CB ALA A 27 -2.664 3.434 -1.753 1.00 0.00 C ATOM 0 H ALA A 27 -1.762 5.691 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.704 3.076 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.953 2.383 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.293 3.686 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.530 4.054 -1.985 1.00 0.00 H new ATOM 386 N THR A 28 -2.762 4.161 -4.834 1.00 0.00 N ATOM 387 CA THR A 28 -3.244 3.915 -6.186 1.00 0.00 C ATOM 388 C THR A 28 -2.084 3.707 -7.161 1.00 0.00 C ATOM 389 O THR A 28 -2.107 2.788 -7.976 1.00 0.00 O ATOM 390 CB THR A 28 -4.134 5.086 -6.672 1.00 0.00 C ATOM 391 OG1 THR A 28 -5.261 5.233 -5.799 1.00 0.00 O ATOM 392 CG2 THR A 28 -4.624 4.866 -8.099 1.00 0.00 C ATOM 0 H THR A 28 -3.029 5.069 -4.453 1.00 0.00 H new ATOM 0 HA THR A 28 -3.840 3.002 -6.160 1.00 0.00 H new ATOM 0 HB THR A 28 -3.528 5.992 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.961 5.584 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.245 5.708 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.768 4.784 -8.769 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.210 3.948 -8.145 1.00 0.00 H new ATOM 400 N TYR A 29 -1.053 4.540 -7.059 1.00 0.00 N ATOM 401 CA TYR A 29 0.058 4.488 -8.003 1.00 0.00 C ATOM 402 C TYR A 29 0.934 3.262 -7.756 1.00 0.00 C ATOM 403 O TYR A 29 1.509 2.700 -8.684 1.00 0.00 O ATOM 404 CB TYR A 29 0.896 5.766 -7.917 1.00 0.00 C ATOM 405 CG TYR A 29 1.950 5.878 -8.994 1.00 0.00 C ATOM 406 CD1 TYR A 29 1.617 6.266 -10.286 1.00 0.00 C ATOM 407 CD2 TYR A 29 3.280 5.603 -8.714 1.00 0.00 C ATOM 408 CE1 TYR A 29 2.583 6.375 -11.268 1.00 0.00 C ATOM 409 CE2 TYR A 29 4.248 5.712 -9.688 1.00 0.00 C ATOM 410 CZ TYR A 29 3.898 6.098 -10.963 1.00 0.00 C ATOM 411 OH TYR A 29 4.865 6.201 -11.933 1.00 0.00 O ATOM 0 H TYR A 29 -0.964 5.255 -6.337 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.359 4.409 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.233 6.629 -7.979 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.381 5.806 -6.942 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.587 6.486 -10.526 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.561 5.299 -7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.309 6.675 -12.269 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.279 5.495 -9.452 1.00 0.00 H new ATOM 0 HH TYR A 29 5.738 5.972 -11.550 1.00 0.00 H new ATOM 421 N THR A 30 1.018 2.842 -6.507 1.00 0.00 N ATOM 422 CA THR A 30 1.831 1.690 -6.148 1.00 0.00 C ATOM 423 C THR A 30 1.066 0.386 -6.372 1.00 0.00 C ATOM 424 O THR A 30 1.620 -0.706 -6.222 1.00 0.00 O ATOM 425 CB THR A 30 2.302 1.779 -4.681 1.00 0.00 C ATOM 426 OG1 THR A 30 1.201 2.129 -3.833 1.00 0.00 O ATOM 427 CG2 THR A 30 3.418 2.805 -4.527 1.00 0.00 C ATOM 0 H THR A 30 0.534 3.280 -5.723 1.00 0.00 H new ATOM 0 HA THR A 30 2.708 1.694 -6.796 1.00 0.00 H new ATOM 0 HB THR A 30 2.689 0.803 -4.388 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.083 3.102 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.731 2.848 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.265 2.517 -5.149 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.056 3.785 -4.838 1.00 0.00 H new ATOM 435 N GLY A 31 -0.209 0.510 -6.745 1.00 0.00 N ATOM 436 CA GLY A 31 -1.034 -0.660 -6.989 1.00 0.00 C ATOM 437 C GLY A 31 -1.366 -1.404 -5.712 1.00 0.00 C ATOM 438 O GLY A 31 -1.549 -2.620 -5.723 1.00 0.00 O ATOM 0 H GLY A 31 -0.683 1.403 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.958 -0.355 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.516 -1.331 -7.674 1.00 0.00 H new ATOM 442 N CYS A 32 -1.442 -0.669 -4.610 1.00 0.00 N ATOM 443 CA CYS A 32 -1.697 -1.260 -3.302 1.00 0.00 C ATOM 444 C CYS A 32 -3.202 -1.380 -3.067 1.00 0.00 C ATOM 445 O CYS A 32 -3.982 -0.617 -3.640 1.00 0.00 O ATOM 446 CB CYS A 32 -1.032 -0.406 -2.216 1.00 0.00 C ATOM 447 SG CYS A 32 -0.967 -1.184 -0.568 1.00 0.00 S ATOM 0 H CYS A 32 -1.330 0.345 -4.596 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.270 -2.262 -3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.016 -0.169 -2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.570 0.539 -2.136 1.00 0.00 H new ATOM 452 N ILE A 33 -3.617 -2.340 -2.247 1.00 0.00 N ATOM 453 CA ILE A 33 -5.043 -2.564 -2.021 1.00 0.00 C ATOM 454 C ILE A 33 -5.417 -2.344 -0.562 1.00 0.00 C ATOM 455 O ILE A 33 -4.624 -2.610 0.345 1.00 0.00 O ATOM 456 CB ILE A 33 -5.495 -3.978 -2.453 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.740 -5.056 -1.666 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.302 -4.160 -3.950 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.204 -6.470 -1.953 1.00 0.00 C ATOM 0 H ILE A 33 -2.998 -2.968 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.562 -1.834 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.556 -4.085 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.677 -4.980 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.852 -4.858 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.624 -5.160 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.894 -3.418 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.249 -4.032 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.621 -7.172 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.259 -6.566 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.066 -6.690 -3.012 1.00 0.00 H new ATOM 471 N ILE A 34 -6.626 -1.852 -0.345 1.00 0.00 N ATOM 472 CA ILE A 34 -7.125 -1.595 0.996 1.00 0.00 C ATOM 473 C ILE A 34 -8.401 -2.387 1.228 1.00 0.00 C ATOM 474 O ILE A 34 -9.468 -2.019 0.740 1.00 0.00 O ATOM 475 CB ILE A 34 -7.416 -0.095 1.216 1.00 0.00 C ATOM 476 CG1 ILE A 34 -6.173 0.744 0.921 1.00 0.00 C ATOM 477 CG2 ILE A 34 -7.892 0.156 2.641 1.00 0.00 C ATOM 478 CD1 ILE A 34 -6.440 2.237 0.883 1.00 0.00 C ATOM 0 H ILE A 34 -7.285 -1.621 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.354 -1.903 1.702 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.207 0.201 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.418 0.538 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.755 0.434 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.092 1.219 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.805 -0.411 2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.121 -0.160 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.512 2.767 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.171 2.456 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.829 2.562 1.848 1.00 0.00 H new ATOM 490 N ILE A 35 -8.287 -3.476 1.964 1.00 0.00 N ATOM 491 CA ILE A 35 -9.419 -4.363 2.189 1.00 0.00 C ATOM 492 C ILE A 35 -10.045 -4.121 3.561 1.00 0.00 C ATOM 493 O ILE A 35 -9.363 -3.713 4.505 1.00 0.00 O ATOM 494 CB ILE A 35 -9.013 -5.850 2.062 1.00 0.00 C ATOM 495 CG1 ILE A 35 -7.919 -6.199 3.079 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.548 -6.156 0.640 1.00 0.00 C ATOM 497 CD1 ILE A 35 -7.544 -7.665 3.097 1.00 0.00 C ATOM 0 H ILE A 35 -7.422 -3.770 2.418 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.155 -4.137 1.417 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.886 -6.467 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.029 -5.609 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.255 -5.908 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.266 -7.206 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.357 -5.948 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.688 -5.532 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.765 -7.832 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.421 -8.262 3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.176 -7.958 2.114 1.00 0.00 H new ATOM 509 N PRO A 36 -11.360 -4.356 3.682 1.00 0.00 N ATOM 510 CA PRO A 36 -12.091 -4.192 4.945 1.00 0.00 C ATOM 511 C PRO A 36 -11.660 -5.209 5.996 1.00 0.00 C ATOM 512 O PRO A 36 -11.746 -4.952 7.195 1.00 0.00 O ATOM 513 CB PRO A 36 -13.559 -4.418 4.555 1.00 0.00 C ATOM 514 CG PRO A 36 -13.595 -4.339 3.065 1.00 0.00 C ATOM 515 CD PRO A 36 -12.244 -4.779 2.588 1.00 0.00 C ATOM 0 HA PRO A 36 -11.906 -3.216 5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.913 -5.388 4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.204 -3.663 5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.378 -4.980 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.812 -3.323 2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.203 -5.856 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.974 -4.306 1.644 1.00 0.00 H new ATOM 523 N GLY A 37 -11.181 -6.355 5.534 1.00 0.00 N ATOM 524 CA GLY A 37 -10.752 -7.393 6.443 1.00 0.00 C ATOM 525 C GLY A 37 -9.267 -7.306 6.731 1.00 0.00 C ATOM 526 O GLY A 37 -8.606 -6.350 6.323 1.00 0.00 O ATOM 0 H GLY A 37 -11.083 -6.583 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.309 -7.313 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.984 -8.369 6.017 1.00 0.00 H new ATOM 530 N ALA A 38 -8.741 -8.291 7.436 1.00 0.00 N ATOM 531 CA ALA A 38 -7.329 -8.317 7.779 1.00 0.00 C ATOM 532 C ALA A 38 -6.692 -9.605 7.298 1.00 0.00 C ATOM 533 O ALA A 38 -5.563 -9.937 7.669 1.00 0.00 O ATOM 534 CB ALA A 38 -7.161 -8.175 9.281 1.00 0.00 C ATOM 0 H ALA A 38 -9.273 -9.088 7.784 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.831 -7.482 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.100 -8.195 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.593 -7.229 9.608 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.668 -8.999 9.783 1.00 0.00 H new ATOM 540 N THR A 39 -7.421 -10.324 6.466 1.00 0.00 N ATOM 541 CA THR A 39 -6.968 -11.604 5.977 1.00 0.00 C ATOM 542 C THR A 39 -5.990 -11.437 4.819 1.00 0.00 C ATOM 543 O THR A 39 -6.324 -11.669 3.660 1.00 0.00 O ATOM 544 CB THR A 39 -8.157 -12.473 5.539 1.00 0.00 C ATOM 545 OG1 THR A 39 -9.207 -12.372 6.507 1.00 0.00 O ATOM 546 CG2 THR A 39 -7.744 -13.929 5.396 1.00 0.00 C ATOM 0 H THR A 39 -8.335 -10.037 6.115 1.00 0.00 H new ATOM 0 HA THR A 39 -6.450 -12.104 6.796 1.00 0.00 H new ATOM 0 HB THR A 39 -8.506 -12.114 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.965 -12.925 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.604 -14.522 5.085 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.956 -14.012 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.375 -14.298 6.353 1.00 0.00 H new ATOM 554 N CYS A 40 -4.798 -10.975 5.146 1.00 0.00 N ATOM 555 CA CYS A 40 -3.705 -10.929 4.192 1.00 0.00 C ATOM 556 C CYS A 40 -2.671 -11.988 4.547 1.00 0.00 C ATOM 557 O CYS A 40 -2.066 -11.934 5.618 1.00 0.00 O ATOM 558 CB CYS A 40 -3.041 -9.550 4.169 1.00 0.00 C ATOM 559 SG CYS A 40 -4.005 -8.238 3.348 1.00 0.00 S ATOM 0 H CYS A 40 -4.560 -10.623 6.073 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.113 -11.125 3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.841 -9.243 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.076 -9.637 3.669 1.00 0.00 H new ATOM 564 N PRO A 41 -2.475 -12.975 3.664 1.00 0.00 N ATOM 565 CA PRO A 41 -1.503 -14.051 3.883 1.00 0.00 C ATOM 566 C PRO A 41 -0.068 -13.535 3.945 1.00 0.00 C ATOM 567 O PRO A 41 0.243 -12.469 3.402 1.00 0.00 O ATOM 568 CB PRO A 41 -1.687 -14.962 2.666 1.00 0.00 C ATOM 569 CG PRO A 41 -2.334 -14.108 1.631 1.00 0.00 C ATOM 570 CD PRO A 41 -3.186 -13.125 2.381 1.00 0.00 C ATOM 0 HA PRO A 41 -1.669 -14.554 4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.730 -15.348 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.308 -15.824 2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.587 -13.595 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.938 -14.709 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.267 -12.176 1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.200 -13.498 2.524 1.00 0.00 H new ATOM 578 N GLY A 42 0.802 -14.305 4.593 1.00 0.00 N ATOM 579 CA GLY A 42 2.197 -13.920 4.740 1.00 0.00 C ATOM 580 C GLY A 42 2.985 -14.097 3.462 1.00 0.00 C ATOM 581 O GLY A 42 3.999 -14.790 3.426 1.00 0.00 O ATOM 0 H GLY A 42 0.563 -15.198 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.252 -12.878 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.654 -14.516 5.530 1.00 0.00 H new ATOM 585 N ASP A 43 2.501 -13.459 2.423 1.00 0.00 N ATOM 586 CA ASP A 43 3.099 -13.517 1.109 1.00 0.00 C ATOM 587 C ASP A 43 2.555 -12.363 0.293 1.00 0.00 C ATOM 588 O ASP A 43 3.285 -11.675 -0.418 1.00 0.00 O ATOM 589 CB ASP A 43 2.779 -14.853 0.432 1.00 0.00 C ATOM 590 CG ASP A 43 3.277 -14.908 -0.999 1.00 0.00 C ATOM 591 OD1 ASP A 43 4.470 -15.211 -1.202 1.00 0.00 O ATOM 592 OD2 ASP A 43 2.469 -14.658 -1.918 1.00 0.00 O ATOM 0 H ASP A 43 1.666 -12.875 2.467 1.00 0.00 H new ATOM 0 HA ASP A 43 4.183 -13.440 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.231 -15.664 1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.701 -15.015 0.446 1.00 0.00 H new ATOM 597 N TYR A 44 1.259 -12.130 0.460 1.00 0.00 N ATOM 598 CA TYR A 44 0.576 -11.039 -0.221 1.00 0.00 C ATOM 599 C TYR A 44 0.539 -9.811 0.675 1.00 0.00 C ATOM 600 O TYR A 44 0.381 -8.686 0.203 1.00 0.00 O ATOM 601 CB TYR A 44 -0.850 -11.452 -0.584 1.00 0.00 C ATOM 602 CG TYR A 44 -1.380 -10.794 -1.838 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.936 -9.519 -1.812 1.00 0.00 C ATOM 604 CD2 TYR A 44 -1.336 -11.462 -3.053 1.00 0.00 C ATOM 605 CE1 TYR A 44 -2.430 -8.932 -2.962 1.00 0.00 C ATOM 606 CE2 TYR A 44 -1.830 -10.885 -4.205 1.00 0.00 C ATOM 607 CZ TYR A 44 -2.376 -9.620 -4.158 1.00 0.00 C ATOM 608 OH TYR A 44 -2.872 -9.048 -5.308 1.00 0.00 O ATOM 0 H TYR A 44 0.657 -12.687 1.066 1.00 0.00 H new ATOM 0 HA TYR A 44 1.121 -10.803 -1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.883 -12.534 -0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.511 -11.210 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.982 -8.979 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.907 -12.452 -3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.856 -7.940 -2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.789 -11.423 -5.141 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.754 -9.667 -6.059 1.00 0.00 H new ATOM 618 N ALA A 45 0.673 -10.034 1.975 1.00 0.00 N ATOM 619 CA ALA A 45 0.695 -8.947 2.936 1.00 0.00 C ATOM 620 C ALA A 45 2.054 -8.268 2.933 1.00 0.00 C ATOM 621 O ALA A 45 2.999 -8.752 3.554 1.00 0.00 O ATOM 622 CB ALA A 45 0.355 -9.457 4.330 1.00 0.00 C ATOM 0 H ALA A 45 0.768 -10.962 2.387 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.059 -8.215 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.377 -8.627 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.640 -9.901 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.085 -10.208 4.631 1.00 0.00 H new ATOM 628 N ASN A 46 2.155 -7.173 2.199 1.00 0.00 N ATOM 629 CA ASN A 46 3.375 -6.384 2.165 1.00 0.00 C ATOM 630 C ASN A 46 3.055 -4.931 2.477 1.00 0.00 C ATOM 631 O ASN A 46 3.267 -4.514 3.630 1.00 0.00 O ATOM 632 CB ASN A 46 4.065 -6.487 0.801 1.00 0.00 C ATOM 633 CG ASN A 46 4.476 -7.903 0.449 1.00 0.00 C ATOM 634 OD1 ASN A 46 5.585 -8.339 0.755 1.00 0.00 O ATOM 635 ND2 ASN A 46 3.585 -8.625 -0.210 1.00 0.00 N ATOM 636 OXT ASN A 46 2.559 -4.228 1.578 1.00 0.00 O ATOM 0 H ASN A 46 1.402 -6.808 1.615 1.00 0.00 H new ATOM 0 HA ASN A 46 4.058 -6.778 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.393 -6.108 0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.947 -5.847 0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.806 -9.582 -0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.677 -8.225 -0.444 1.00 0.00 H new TER 643 ASN A 46