USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 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 61 SER OG : rot 69:sc= 0.427 USER MOD Set 1.2: A 63 THR OG1 : rot 9:sc= -0.172 USER MOD Set 1.3: A 75 SER OG : rot 19:sc= 1.23! USER MOD Set 2.1: A 29 THR OG1 : rot 103:sc= 0.25! USER MOD Set 2.2: A 32 CYS SG : rot 180:sc= -0.714 USER MOD Set 2.3: A 34 MET CE :methyl 179:sc= -1.45 (180deg=-1.51) USER MOD Single : A 7 SER OG : rot -110:sc= 0.917 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= -0.984 (180deg=-1.22) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.333 (180deg=-0.937) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00122) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc=-0.000474 (180deg=-0.217) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= -3.99! (180deg=-6.62!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.86!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.21) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.98 K(o=-2,f=-10!) USER MOD Single : A 78 THR OG1 : rot 30:sc= -0.779 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -3.98! C(o=-4.8!,f=-4!) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -65:sc= -1.44 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 90.162 4.097 -10.573 1.00 0.00 N ATOM 87 CA VAL A 6 89.684 3.523 -9.274 1.00 0.00 C ATOM 88 C VAL A 6 88.540 2.542 -9.545 1.00 0.00 C ATOM 89 O VAL A 6 87.697 2.779 -10.387 1.00 0.00 O ATOM 90 CB VAL A 6 89.184 4.657 -8.378 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.968 4.127 -6.962 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.224 5.778 -8.347 1.00 0.00 C ATOM 0 HA VAL A 6 90.501 2.999 -8.778 1.00 0.00 H new ATOM 0 HB VAL A 6 88.244 5.043 -8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.612 4.934 -6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.229 3.326 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.909 3.742 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.868 6.587 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.164 5.391 -7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.382 6.156 -9.357 1.00 0.00 H new ATOM 102 N SER A 7 88.507 1.436 -8.844 1.00 0.00 N ATOM 103 CA SER A 7 87.418 0.432 -9.067 1.00 0.00 C ATOM 104 C SER A 7 86.301 0.635 -8.045 1.00 0.00 C ATOM 105 O SER A 7 86.436 0.314 -6.882 1.00 0.00 O ATOM 106 CB SER A 7 87.985 -0.973 -8.916 1.00 0.00 C ATOM 107 OG SER A 7 87.065 -1.912 -9.457 1.00 0.00 O ATOM 0 H SER A 7 89.187 1.184 -8.127 1.00 0.00 H new ATOM 0 HA SER A 7 87.015 0.563 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.943 -1.048 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.169 -1.192 -7.864 1.00 0.00 H new ATOM 0 HG SER A 7 86.669 -2.437 -8.731 1.00 0.00 H new ATOM 113 N PHE A 8 85.197 1.156 -8.487 1.00 0.00 N ATOM 114 CA PHE A 8 84.036 1.392 -7.572 1.00 0.00 C ATOM 115 C PHE A 8 83.200 0.104 -7.483 1.00 0.00 C ATOM 116 O PHE A 8 82.691 -0.384 -8.473 1.00 0.00 O ATOM 117 CB PHE A 8 83.166 2.561 -8.121 1.00 0.00 C ATOM 118 CG PHE A 8 83.668 2.996 -9.482 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.780 3.841 -9.579 1.00 0.00 C ATOM 120 CD2 PHE A 8 83.023 2.552 -10.644 1.00 0.00 C ATOM 121 CE1 PHE A 8 85.247 4.243 -10.837 1.00 0.00 C ATOM 122 CE2 PHE A 8 83.490 2.954 -11.901 1.00 0.00 C ATOM 123 CZ PHE A 8 84.602 3.800 -11.998 1.00 0.00 C ATOM 0 H PHE A 8 85.040 1.435 -9.456 1.00 0.00 H new ATOM 0 HA PHE A 8 84.394 1.660 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.125 2.246 -8.194 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.197 3.402 -7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.278 4.183 -8.684 1.00 0.00 H new ATOM 0 HD2 PHE A 8 82.166 1.900 -10.570 1.00 0.00 H new ATOM 0 HE1 PHE A 8 86.105 4.895 -10.911 1.00 0.00 H new ATOM 0 HE2 PHE A 8 82.993 2.612 -12.796 1.00 0.00 H new ATOM 0 HZ PHE A 8 84.962 4.110 -12.968 1.00 0.00 H new ATOM 133 N PHE A 9 83.045 -0.437 -6.301 1.00 0.00 N ATOM 134 CA PHE A 9 82.233 -1.683 -6.129 1.00 0.00 C ATOM 135 C PHE A 9 80.868 -1.291 -5.560 1.00 0.00 C ATOM 136 O PHE A 9 80.781 -0.545 -4.607 1.00 0.00 O ATOM 137 CB PHE A 9 82.947 -2.627 -5.146 1.00 0.00 C ATOM 138 CG PHE A 9 83.984 -3.451 -5.878 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.183 -2.861 -6.290 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.744 -4.807 -6.141 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.144 -3.624 -6.965 1.00 0.00 C ATOM 142 CE2 PHE A 9 84.704 -5.570 -6.816 1.00 0.00 C ATOM 143 CZ PHE A 9 85.904 -4.979 -7.227 1.00 0.00 C ATOM 0 H PHE A 9 83.449 -0.067 -5.441 1.00 0.00 H new ATOM 0 HA PHE A 9 82.111 -2.190 -7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.423 -2.048 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.221 -3.284 -4.668 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.368 -1.816 -6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 9 82.818 -5.263 -5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.070 -3.168 -7.283 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.519 -6.614 -7.019 1.00 0.00 H new ATOM 0 HZ PHE A 9 86.645 -5.568 -7.746 1.00 0.00 H new ATOM 153 N LEU A 10 79.804 -1.780 -6.132 1.00 0.00 N ATOM 154 CA LEU A 10 78.458 -1.412 -5.613 1.00 0.00 C ATOM 155 C LEU A 10 78.167 -2.185 -4.335 1.00 0.00 C ATOM 156 O LEU A 10 77.838 -3.354 -4.358 1.00 0.00 O ATOM 157 CB LEU A 10 77.383 -1.738 -6.661 1.00 0.00 C ATOM 158 CG LEU A 10 75.952 -1.466 -6.085 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.160 -0.562 -7.036 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.181 -2.785 -5.919 1.00 0.00 C ATOM 0 H LEU A 10 79.807 -2.414 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 10 78.444 -0.343 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.543 -1.133 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.467 -2.782 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 10 76.067 -0.980 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.167 -0.381 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.682 0.387 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.066 -1.049 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.189 -2.578 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.086 -3.275 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.721 -3.438 -5.233 1.00 0.00 H new ATOM 172 N VAL A 11 78.258 -1.516 -3.219 1.00 0.00 N ATOM 173 CA VAL A 11 77.958 -2.158 -1.909 1.00 0.00 C ATOM 174 C VAL A 11 76.686 -1.506 -1.380 1.00 0.00 C ATOM 175 O VAL A 11 76.342 -0.414 -1.788 1.00 0.00 O ATOM 176 CB VAL A 11 79.122 -1.928 -0.939 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.435 -2.382 -1.595 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.217 -0.441 -0.581 1.00 0.00 C ATOM 0 H VAL A 11 78.532 -0.535 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 11 77.823 -3.234 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 11 78.949 -2.505 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.262 -2.218 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.372 -3.442 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.604 -1.808 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.046 -0.285 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.384 0.141 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.288 -0.120 -0.110 1.00 0.00 H new ATOM 188 N LYS A 12 75.971 -2.156 -0.498 1.00 0.00 N ATOM 189 CA LYS A 12 74.702 -1.557 0.030 1.00 0.00 C ATOM 190 C LYS A 12 74.855 -1.258 1.517 1.00 0.00 C ATOM 191 O LYS A 12 75.647 -1.861 2.212 1.00 0.00 O ATOM 192 CB LYS A 12 73.535 -2.547 -0.196 1.00 0.00 C ATOM 193 CG LYS A 12 72.670 -2.090 -1.378 1.00 0.00 C ATOM 194 CD LYS A 12 71.695 -3.202 -1.749 1.00 0.00 C ATOM 195 CE LYS A 12 70.804 -2.734 -2.899 1.00 0.00 C ATOM 196 NZ LYS A 12 70.107 -1.475 -2.509 1.00 0.00 N ATOM 0 H LYS A 12 76.208 -3.073 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 12 74.490 -0.626 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.928 -3.545 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.926 -2.613 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.123 -1.184 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.301 -1.844 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.243 -4.098 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 12 71.084 -3.468 -0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.404 -2.568 -3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.074 -3.505 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 69.390 -1.239 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 69.646 -1.605 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.799 -0.701 -2.444 1.00 0.00 H new ATOM 210 N GLU A 13 74.077 -0.327 1.996 1.00 0.00 N ATOM 211 CA GLU A 13 74.121 0.050 3.437 1.00 0.00 C ATOM 212 C GLU A 13 72.709 -0.083 3.999 1.00 0.00 C ATOM 213 O GLU A 13 71.738 -0.114 3.270 1.00 0.00 O ATOM 214 CB GLU A 13 74.594 1.501 3.584 1.00 0.00 C ATOM 215 CG GLU A 13 76.118 1.585 3.435 1.00 0.00 C ATOM 216 CD GLU A 13 76.508 1.412 1.966 1.00 0.00 C ATOM 217 OE1 GLU A 13 75.615 1.292 1.146 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.696 1.405 1.688 1.00 0.00 O ATOM 0 H GLU A 13 73.401 0.197 1.440 1.00 0.00 H new ATOM 0 HA GLU A 13 74.813 -0.598 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.114 2.125 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.295 1.891 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.476 2.546 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.594 0.814 4.040 1.00 0.00 H new ATOM 225 N LYS A 14 72.589 -0.172 5.287 1.00 0.00 N ATOM 226 CA LYS A 14 71.247 -0.316 5.918 1.00 0.00 C ATOM 227 C LYS A 14 70.674 1.056 6.299 1.00 0.00 C ATOM 228 O LYS A 14 71.292 1.857 6.970 1.00 0.00 O ATOM 229 CB LYS A 14 71.348 -1.233 7.157 1.00 0.00 C ATOM 230 CG LYS A 14 71.901 -0.493 8.395 1.00 0.00 C ATOM 231 CD LYS A 14 73.301 0.090 8.121 1.00 0.00 C ATOM 232 CE LYS A 14 74.308 -1.034 7.831 1.00 0.00 C ATOM 233 NZ LYS A 14 74.076 -2.175 8.760 1.00 0.00 N ATOM 0 H LYS A 14 73.371 -0.151 5.942 1.00 0.00 H new ATOM 0 HA LYS A 14 70.567 -0.772 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 14 70.362 -1.636 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.993 -2.081 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.219 0.310 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.950 -1.180 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 14 73.257 0.773 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.634 0.671 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.206 -1.368 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.326 -0.661 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.918 -2.785 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.892 -1.812 9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.256 -2.726 8.435 1.00 0.00 H new ATOM 351 N LEU A 21 67.645 -0.849 1.875 1.00 0.00 N ATOM 352 CA LEU A 21 69.139 -0.764 1.943 1.00 0.00 C ATOM 353 C LEU A 21 69.572 0.447 1.117 1.00 0.00 C ATOM 354 O LEU A 21 68.847 0.885 0.246 1.00 0.00 O ATOM 355 CB LEU A 21 69.779 -2.026 1.336 1.00 0.00 C ATOM 356 CG LEU A 21 69.159 -3.297 1.937 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.532 -4.508 1.080 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.683 -3.507 3.362 1.00 0.00 C ATOM 0 HA LEU A 21 69.455 -0.675 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.641 -2.025 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.853 -2.018 1.520 1.00 0.00 H new ATOM 0 HG LEU A 21 68.075 -3.186 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.091 -5.407 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.155 -4.367 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.616 -4.614 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.240 -4.410 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.768 -3.612 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.414 -2.649 3.979 1.00 0.00 H new ATOM 370 N VAL A 22 70.738 0.998 1.370 1.00 0.00 N ATOM 371 CA VAL A 22 71.191 2.193 0.572 1.00 0.00 C ATOM 372 C VAL A 22 72.392 1.785 -0.327 1.00 0.00 C ATOM 373 O VAL A 22 73.456 1.514 0.193 1.00 0.00 O ATOM 374 CB VAL A 22 71.615 3.303 1.578 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.773 4.160 1.022 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.411 4.225 1.873 1.00 0.00 C ATOM 0 H VAL A 22 71.391 0.679 2.085 1.00 0.00 H new ATOM 0 HA VAL A 22 70.391 2.561 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 22 71.953 2.812 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 22 73.042 4.924 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.636 3.523 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.459 4.638 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.711 5.001 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 22 70.071 4.688 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.600 3.638 2.304 1.00 0.00 H new ATOM 386 N PRO A 23 72.224 1.778 -1.649 1.00 0.00 N ATOM 387 CA PRO A 23 73.344 1.444 -2.554 1.00 0.00 C ATOM 388 C PRO A 23 74.508 2.424 -2.341 1.00 0.00 C ATOM 389 O PRO A 23 74.314 3.580 -2.021 1.00 0.00 O ATOM 390 CB PRO A 23 72.755 1.577 -3.976 1.00 0.00 C ATOM 391 CG PRO A 23 71.220 1.687 -3.823 1.00 0.00 C ATOM 392 CD PRO A 23 70.943 2.051 -2.350 1.00 0.00 C ATOM 0 HA PRO A 23 73.745 0.446 -2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.156 2.457 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.021 0.713 -4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.819 2.449 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.737 0.746 -4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.650 3.096 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.131 1.451 -1.939 1.00 0.00 H new ATOM 400 N ARG A 24 75.712 1.961 -2.521 1.00 0.00 N ATOM 401 CA ARG A 24 76.903 2.840 -2.339 1.00 0.00 C ATOM 402 C ARG A 24 78.042 2.289 -3.200 1.00 0.00 C ATOM 403 O ARG A 24 78.143 1.095 -3.394 1.00 0.00 O ATOM 404 CB ARG A 24 77.313 2.826 -0.860 1.00 0.00 C ATOM 405 CG ARG A 24 78.338 3.942 -0.569 1.00 0.00 C ATOM 406 CD ARG A 24 77.613 5.232 -0.163 1.00 0.00 C ATOM 407 NE ARG A 24 77.243 5.159 1.278 1.00 0.00 N ATOM 408 CZ ARG A 24 76.901 6.242 1.922 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.884 7.391 1.304 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.577 6.175 3.184 1.00 0.00 N ATOM 0 H ARG A 24 75.926 1.000 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 24 76.676 3.864 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.432 2.961 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.741 1.856 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.012 3.628 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.951 4.123 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.255 6.095 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.720 5.368 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 24 77.257 4.261 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.138 7.443 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.617 8.237 1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.591 5.277 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.310 7.021 3.688 1.00 0.00 H new ATOM 424 N LEU A 25 78.906 3.133 -3.708 1.00 0.00 N ATOM 425 CA LEU A 25 80.047 2.637 -4.543 1.00 0.00 C ATOM 426 C LEU A 25 81.333 2.790 -3.723 1.00 0.00 C ATOM 427 O LEU A 25 81.502 3.755 -3.004 1.00 0.00 O ATOM 428 CB LEU A 25 80.140 3.461 -5.835 1.00 0.00 C ATOM 429 CG LEU A 25 78.917 3.201 -6.743 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.719 4.388 -7.700 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.131 1.932 -7.584 1.00 0.00 C ATOM 0 H LEU A 25 78.872 4.145 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 25 79.898 1.592 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.198 4.522 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.055 3.206 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 25 78.041 3.076 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.856 4.201 -8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.553 5.297 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.608 4.509 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.260 1.764 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.016 2.054 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.269 1.076 -6.923 1.00 0.00 H new ATOM 443 N LEU A 26 82.228 1.831 -3.802 1.00 0.00 N ATOM 444 CA LEU A 26 83.498 1.894 -3.003 1.00 0.00 C ATOM 445 C LEU A 26 84.713 1.828 -3.932 1.00 0.00 C ATOM 446 O LEU A 26 85.023 0.802 -4.504 1.00 0.00 O ATOM 447 CB LEU A 26 83.530 0.704 -2.038 1.00 0.00 C ATOM 448 CG LEU A 26 84.717 0.832 -1.071 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.513 2.023 -0.114 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.838 -0.464 -0.263 1.00 0.00 C ATOM 0 H LEU A 26 82.133 1.002 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 26 83.532 2.832 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.597 0.658 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.609 -0.227 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 26 85.628 1.005 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.365 2.096 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.428 2.943 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.602 1.873 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.678 -0.385 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.919 -0.629 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.003 -1.301 -0.941 1.00 0.00 H new ATOM 462 N GLY A 27 85.401 2.926 -4.072 1.00 0.00 N ATOM 463 CA GLY A 27 86.604 2.977 -4.950 1.00 0.00 C ATOM 464 C GLY A 27 87.839 2.467 -4.206 1.00 0.00 C ATOM 465 O GLY A 27 88.210 2.981 -3.172 1.00 0.00 O ATOM 0 H GLY A 27 85.177 3.806 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.435 2.373 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.772 4.000 -5.285 1.00 0.00 H new ATOM 469 N ILE A 28 88.491 1.466 -4.742 1.00 0.00 N ATOM 470 CA ILE A 28 89.725 0.925 -4.092 1.00 0.00 C ATOM 471 C ILE A 28 90.943 1.481 -4.834 1.00 0.00 C ATOM 472 O ILE A 28 91.190 1.137 -5.973 1.00 0.00 O ATOM 473 CB ILE A 28 89.739 -0.609 -4.189 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.627 -1.206 -3.317 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.090 -1.139 -3.702 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.250 -0.762 -3.822 1.00 0.00 C ATOM 0 H ILE A 28 88.220 0.997 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 28 89.746 1.217 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 28 89.576 -0.896 -5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 28 88.692 -2.294 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.760 -0.891 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.100 -2.227 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.887 -0.729 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 28 91.246 -0.839 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.474 -1.195 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 28 87.182 0.325 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.113 -1.100 -4.849 1.00 0.00 H new ATOM 488 N THR A 29 91.711 2.335 -4.206 1.00 0.00 N ATOM 489 CA THR A 29 92.914 2.907 -4.886 1.00 0.00 C ATOM 490 C THR A 29 94.145 2.082 -4.496 1.00 0.00 C ATOM 491 O THR A 29 94.069 1.188 -3.678 1.00 0.00 O ATOM 492 CB THR A 29 93.098 4.376 -4.451 1.00 0.00 C ATOM 493 OG1 THR A 29 91.824 4.954 -4.212 1.00 0.00 O ATOM 494 CG2 THR A 29 93.814 5.172 -5.550 1.00 0.00 C ATOM 0 H THR A 29 91.557 2.661 -3.252 1.00 0.00 H new ATOM 0 HA THR A 29 92.785 2.873 -5.968 1.00 0.00 H new ATOM 0 HB THR A 29 93.700 4.404 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.663 5.003 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 29 93.937 6.206 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.793 4.732 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.221 5.144 -6.464 1.00 0.00 H new ATOM 502 N LYS A 30 95.273 2.372 -5.080 1.00 0.00 N ATOM 503 CA LYS A 30 96.506 1.605 -4.748 1.00 0.00 C ATOM 504 C LYS A 30 97.103 2.133 -3.445 1.00 0.00 C ATOM 505 O LYS A 30 98.053 1.587 -2.922 1.00 0.00 O ATOM 506 CB LYS A 30 97.518 1.773 -5.884 1.00 0.00 C ATOM 507 CG LYS A 30 97.434 3.205 -6.416 1.00 0.00 C ATOM 508 CD LYS A 30 98.673 3.522 -7.253 1.00 0.00 C ATOM 509 CE LYS A 30 98.568 4.949 -7.799 1.00 0.00 C ATOM 510 NZ LYS A 30 98.957 5.917 -6.734 1.00 0.00 N ATOM 0 H LYS A 30 95.395 3.109 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 30 96.262 0.550 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.526 1.563 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.309 1.061 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.535 3.325 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.356 3.907 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.572 3.419 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 30 98.761 2.812 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 30 99.217 5.067 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.550 5.148 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.902 6.886 -7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 98.310 5.822 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 99.930 5.720 -6.424 1.00 0.00 H new ATOM 524 N GLU A 31 96.560 3.200 -2.925 1.00 0.00 N ATOM 525 CA GLU A 31 97.097 3.782 -1.660 1.00 0.00 C ATOM 526 C GLU A 31 95.946 4.234 -0.764 1.00 0.00 C ATOM 527 O GLU A 31 96.162 4.806 0.286 1.00 0.00 O ATOM 528 CB GLU A 31 97.970 4.988 -2.002 1.00 0.00 C ATOM 529 CG GLU A 31 99.170 4.536 -2.829 1.00 0.00 C ATOM 530 CD GLU A 31 100.250 5.621 -2.812 1.00 0.00 C ATOM 531 OE1 GLU A 31 99.898 6.778 -2.653 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.411 5.275 -2.957 1.00 0.00 O ATOM 0 H GLU A 31 95.763 3.697 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 31 97.684 3.029 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.389 5.724 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.309 5.475 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.570 3.605 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.861 4.334 -3.855 1.00 0.00 H new ATOM 539 N CYS A 32 94.726 3.993 -1.157 1.00 0.00 N ATOM 540 CA CYS A 32 93.593 4.433 -0.297 1.00 0.00 C ATOM 541 C CYS A 32 92.261 3.908 -0.845 1.00 0.00 C ATOM 542 O CYS A 32 92.133 3.579 -2.007 1.00 0.00 O ATOM 543 CB CYS A 32 93.561 5.975 -0.263 1.00 0.00 C ATOM 544 SG CYS A 32 94.250 6.627 -1.805 1.00 0.00 S ATOM 0 H CYS A 32 94.467 3.518 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 32 93.735 4.035 0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.537 6.325 -0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.134 6.343 0.588 1.00 0.00 H new ATOM 0 HG CYS A 32 94.221 7.926 -1.778 1.00 0.00 H new ATOM 550 N VAL A 33 91.257 3.869 -0.005 1.00 0.00 N ATOM 551 CA VAL A 33 89.903 3.417 -0.445 1.00 0.00 C ATOM 552 C VAL A 33 89.034 4.666 -0.556 1.00 0.00 C ATOM 553 O VAL A 33 89.051 5.508 0.320 1.00 0.00 O ATOM 554 CB VAL A 33 89.310 2.463 0.597 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.967 1.927 0.098 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.270 1.295 0.820 1.00 0.00 C ATOM 0 H VAL A 33 91.320 4.134 0.978 1.00 0.00 H new ATOM 0 HA VAL A 33 89.956 2.890 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 33 89.160 2.999 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.547 1.249 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.281 2.758 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.115 1.391 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.850 0.615 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.418 0.762 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.228 1.674 1.177 1.00 0.00 H new ATOM 566 N MET A 34 88.297 4.821 -1.628 1.00 0.00 N ATOM 567 CA MET A 34 87.460 6.052 -1.788 1.00 0.00 C ATOM 568 C MET A 34 86.001 5.746 -1.468 1.00 0.00 C ATOM 569 O MET A 34 85.454 4.757 -1.909 1.00 0.00 O ATOM 570 CB MET A 34 87.571 6.563 -3.239 1.00 0.00 C ATOM 571 CG MET A 34 88.912 6.131 -3.839 1.00 0.00 C ATOM 572 SD MET A 34 90.257 6.563 -2.701 1.00 0.00 S ATOM 573 CE MET A 34 91.031 7.860 -3.701 1.00 0.00 C ATOM 0 H MET A 34 88.238 4.152 -2.396 1.00 0.00 H new ATOM 0 HA MET A 34 87.820 6.816 -1.099 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.750 6.168 -3.837 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.486 7.649 -3.259 1.00 0.00 H new ATOM 0 HG2 MET A 34 88.910 5.057 -4.024 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.065 6.620 -4.801 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.883 8.275 -3.162 1.00 0.00 H new ATOM 0 HE2 MET A 34 91.371 7.437 -4.646 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.306 8.650 -3.897 1.00 0.00 H new ATOM 583 N ARG A 35 85.350 6.614 -0.737 1.00 0.00 N ATOM 584 CA ARG A 35 83.909 6.384 -0.436 1.00 0.00 C ATOM 585 C ARG A 35 83.127 7.120 -1.509 1.00 0.00 C ATOM 586 O ARG A 35 83.316 8.303 -1.715 1.00 0.00 O ATOM 587 CB ARG A 35 83.545 6.971 0.933 1.00 0.00 C ATOM 588 CG ARG A 35 84.148 6.121 2.074 1.00 0.00 C ATOM 589 CD ARG A 35 83.250 6.198 3.323 1.00 0.00 C ATOM 590 NE ARG A 35 82.566 7.523 3.365 1.00 0.00 N ATOM 591 CZ ARG A 35 81.561 7.716 4.176 1.00 0.00 C ATOM 592 NH1 ARG A 35 81.160 6.752 4.960 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.960 8.874 4.206 1.00 0.00 N ATOM 0 H ARG A 35 85.751 7.464 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 35 83.685 5.317 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.912 7.995 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.461 7.013 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.248 5.084 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 35 85.149 6.478 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.512 5.396 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.848 6.057 4.223 1.00 0.00 H new ATOM 0 HE ARG A 35 82.884 8.280 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.632 5.848 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.375 6.903 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.275 9.628 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.175 9.025 4.839 1.00 0.00 H new ATOM 607 N VAL A 36 82.280 6.430 -2.229 1.00 0.00 N ATOM 608 CA VAL A 36 81.521 7.091 -3.328 1.00 0.00 C ATOM 609 C VAL A 36 80.043 6.714 -3.252 1.00 0.00 C ATOM 610 O VAL A 36 79.684 5.557 -3.163 1.00 0.00 O ATOM 611 CB VAL A 36 82.115 6.633 -4.662 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.490 7.427 -5.813 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.635 6.848 -4.649 1.00 0.00 C ATOM 0 H VAL A 36 82.083 5.437 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 36 81.598 8.174 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 36 81.901 5.574 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 36 81.918 7.095 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.412 7.263 -5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.694 8.489 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.057 6.521 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.852 7.906 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.077 6.270 -3.838 1.00 0.00 H new ATOM 623 N ASP A 37 79.186 7.697 -3.291 1.00 0.00 N ATOM 624 CA ASP A 37 77.726 7.429 -3.224 1.00 0.00 C ATOM 625 C ASP A 37 77.251 6.871 -4.560 1.00 0.00 C ATOM 626 O ASP A 37 77.771 7.200 -5.600 1.00 0.00 O ATOM 627 CB ASP A 37 76.982 8.734 -2.922 1.00 0.00 C ATOM 628 CG ASP A 37 75.565 8.419 -2.437 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.167 7.271 -2.540 1.00 0.00 O ATOM 630 OD2 ASP A 37 74.903 9.332 -1.972 1.00 0.00 O ATOM 0 H ASP A 37 79.439 8.682 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 37 77.524 6.704 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.519 9.303 -2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.941 9.356 -3.816 1.00 0.00 H new ATOM 635 N GLU A 38 76.257 6.037 -4.535 1.00 0.00 N ATOM 636 CA GLU A 38 75.724 5.458 -5.796 1.00 0.00 C ATOM 637 C GLU A 38 74.642 6.396 -6.300 1.00 0.00 C ATOM 638 O GLU A 38 74.287 6.425 -7.461 1.00 0.00 O ATOM 639 CB GLU A 38 75.128 4.094 -5.468 1.00 0.00 C ATOM 640 CG GLU A 38 75.010 3.232 -6.722 1.00 0.00 C ATOM 641 CD GLU A 38 73.956 3.824 -7.658 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.804 3.883 -7.260 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.318 4.209 -8.758 1.00 0.00 O ATOM 0 H GLU A 38 75.784 5.727 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 38 76.497 5.341 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.753 3.588 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.144 4.222 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 38 75.973 3.179 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.737 2.213 -6.450 1.00 0.00 H new ATOM 650 N LYS A 39 74.129 7.160 -5.395 1.00 0.00 N ATOM 651 CA LYS A 39 73.066 8.131 -5.714 1.00 0.00 C ATOM 652 C LYS A 39 73.663 9.308 -6.477 1.00 0.00 C ATOM 653 O LYS A 39 73.188 9.690 -7.528 1.00 0.00 O ATOM 654 CB LYS A 39 72.478 8.623 -4.399 1.00 0.00 C ATOM 655 CG LYS A 39 71.333 9.598 -4.671 1.00 0.00 C ATOM 656 CD LYS A 39 70.722 10.047 -3.344 1.00 0.00 C ATOM 657 CE LYS A 39 69.420 10.803 -3.610 1.00 0.00 C ATOM 658 NZ LYS A 39 69.715 12.041 -4.385 1.00 0.00 N ATOM 0 H LYS A 39 74.412 7.151 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 39 72.295 7.667 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.116 7.778 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.251 9.113 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.700 10.462 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.574 9.121 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.529 9.182 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.423 10.686 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 39 68.726 10.171 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.936 11.058 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.865 12.639 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 70.487 12.564 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.000 11.786 -5.352 1.00 0.00 H new ATOM 672 N THR A 40 74.701 9.892 -5.942 1.00 0.00 N ATOM 673 CA THR A 40 75.346 11.062 -6.612 1.00 0.00 C ATOM 674 C THR A 40 76.613 10.620 -7.347 1.00 0.00 C ATOM 675 O THR A 40 77.240 11.406 -8.029 1.00 0.00 O ATOM 676 CB THR A 40 75.718 12.109 -5.558 1.00 0.00 C ATOM 677 OG1 THR A 40 76.572 11.523 -4.587 1.00 0.00 O ATOM 678 CG2 THR A 40 74.448 12.625 -4.882 1.00 0.00 C ATOM 0 H THR A 40 75.134 9.608 -5.063 1.00 0.00 H new ATOM 0 HA THR A 40 74.645 11.487 -7.331 1.00 0.00 H new ATOM 0 HB THR A 40 76.235 12.940 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.811 12.194 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.712 13.370 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 40 73.796 13.078 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 40 73.928 11.796 -4.402 1.00 0.00 H new ATOM 686 N LYS A 41 77.010 9.379 -7.223 1.00 0.00 N ATOM 687 CA LYS A 41 78.246 8.942 -7.935 1.00 0.00 C ATOM 688 C LYS A 41 79.382 9.913 -7.606 1.00 0.00 C ATOM 689 O LYS A 41 80.329 10.051 -8.355 1.00 0.00 O ATOM 690 CB LYS A 41 77.986 8.946 -9.441 1.00 0.00 C ATOM 691 CG LYS A 41 76.717 8.147 -9.738 1.00 0.00 C ATOM 692 CD LYS A 41 76.641 7.845 -11.236 1.00 0.00 C ATOM 693 CE LYS A 41 76.843 9.134 -12.041 1.00 0.00 C ATOM 694 NZ LYS A 41 78.295 9.463 -12.101 1.00 0.00 N ATOM 0 H LYS A 41 76.541 8.662 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 41 78.523 7.937 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.877 9.969 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 41 78.835 8.512 -9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 41 76.719 7.217 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 41 75.838 8.711 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 41 77.403 7.114 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 41 75.674 7.403 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 76.446 9.012 -13.049 1.00 0.00 H new ATOM 0 HE3 LYS A 41 76.293 9.954 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 78.547 9.748 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 78.501 10.244 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 78.852 8.627 -11.830 1.00 0.00 H new ATOM 708 N GLU A 42 79.287 10.593 -6.487 1.00 0.00 N ATOM 709 CA GLU A 42 80.351 11.571 -6.087 1.00 0.00 C ATOM 710 C GLU A 42 81.196 10.959 -4.964 1.00 0.00 C ATOM 711 O GLU A 42 80.792 10.014 -4.324 1.00 0.00 O ATOM 712 CB GLU A 42 79.673 12.872 -5.595 1.00 0.00 C ATOM 713 CG GLU A 42 80.129 14.070 -6.433 1.00 0.00 C ATOM 714 CD GLU A 42 79.555 13.955 -7.847 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.090 12.881 -8.190 1.00 0.00 O ATOM 716 OE2 GLU A 42 79.591 14.943 -8.561 1.00 0.00 O ATOM 0 H GLU A 42 78.512 10.512 -5.829 1.00 0.00 H new ATOM 0 HA GLU A 42 80.996 11.799 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.590 12.769 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 79.917 13.041 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 42 79.797 14.999 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.218 14.105 -6.473 1.00 0.00 H new ATOM 723 N VAL A 43 82.359 11.502 -4.718 1.00 0.00 N ATOM 724 CA VAL A 43 83.229 10.960 -3.631 1.00 0.00 C ATOM 725 C VAL A 43 82.816 11.572 -2.295 1.00 0.00 C ATOM 726 O VAL A 43 82.731 12.775 -2.150 1.00 0.00 O ATOM 727 CB VAL A 43 84.694 11.292 -3.931 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.583 10.738 -2.815 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.093 10.657 -5.271 1.00 0.00 C ATOM 0 H VAL A 43 82.745 12.299 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 43 83.115 9.877 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 43 84.820 12.373 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.625 10.974 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.297 11.188 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.461 9.656 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.135 10.891 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 43 84.968 9.576 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.459 11.053 -6.064 1.00 0.00 H new ATOM 739 N ILE A 44 82.541 10.744 -1.318 1.00 0.00 N ATOM 740 CA ILE A 44 82.111 11.256 0.015 1.00 0.00 C ATOM 741 C ILE A 44 83.282 11.228 1.000 1.00 0.00 C ATOM 742 O ILE A 44 83.339 12.015 1.924 1.00 0.00 O ATOM 743 CB ILE A 44 80.984 10.371 0.546 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.930 10.163 -0.551 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.340 11.037 1.761 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.490 11.513 -1.128 1.00 0.00 C ATOM 0 H ILE A 44 82.597 9.728 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 44 81.766 12.284 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 44 81.391 9.404 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.339 9.537 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.068 9.636 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.536 10.405 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.090 11.175 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.934 12.006 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.743 11.351 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.062 12.126 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.352 12.024 -1.556 1.00 0.00 H new ATOM 758 N GLN A 45 84.213 10.328 0.826 1.00 0.00 N ATOM 759 CA GLN A 45 85.360 10.270 1.780 1.00 0.00 C ATOM 760 C GLN A 45 86.441 9.322 1.258 1.00 0.00 C ATOM 761 O GLN A 45 86.229 8.552 0.345 1.00 0.00 O ATOM 762 CB GLN A 45 84.871 9.777 3.147 1.00 0.00 C ATOM 763 CG GLN A 45 85.992 9.911 4.183 1.00 0.00 C ATOM 764 CD GLN A 45 85.403 9.819 5.590 1.00 0.00 C ATOM 765 OE1 GLN A 45 85.136 8.741 6.083 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.190 10.915 6.259 1.00 0.00 N ATOM 0 H GLN A 45 84.231 9.638 0.075 1.00 0.00 H new ATOM 0 HA GLN A 45 85.782 11.270 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.002 10.355 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.553 8.737 3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.733 9.125 4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.507 10.863 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 45 85.415 11.819 5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 45 84.798 10.870 7.200 1.00 0.00 H new ATOM 775 N GLU A 46 87.605 9.389 1.842 1.00 0.00 N ATOM 776 CA GLU A 46 88.744 8.518 1.423 1.00 0.00 C ATOM 777 C GLU A 46 89.439 7.940 2.658 1.00 0.00 C ATOM 778 O GLU A 46 89.333 8.464 3.749 1.00 0.00 O ATOM 779 CB GLU A 46 89.744 9.350 0.616 1.00 0.00 C ATOM 780 CG GLU A 46 89.204 9.573 -0.795 1.00 0.00 C ATOM 781 CD GLU A 46 90.048 10.635 -1.501 1.00 0.00 C ATOM 782 OE1 GLU A 46 89.858 11.804 -1.212 1.00 0.00 O ATOM 783 OE2 GLU A 46 90.872 10.261 -2.319 1.00 0.00 O ATOM 0 H GLU A 46 87.821 10.025 2.610 1.00 0.00 H new ATOM 0 HA GLU A 46 88.367 7.699 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.915 10.308 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.706 8.839 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.229 8.640 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.162 9.891 -0.751 1.00 0.00 H new ATOM 790 N TRP A 47 90.153 6.855 2.487 1.00 0.00 N ATOM 791 CA TRP A 47 90.866 6.217 3.634 1.00 0.00 C ATOM 792 C TRP A 47 92.239 5.742 3.167 1.00 0.00 C ATOM 793 O TRP A 47 92.432 5.450 2.012 1.00 0.00 O ATOM 794 CB TRP A 47 90.064 5.015 4.126 1.00 0.00 C ATOM 795 CG TRP A 47 88.814 5.486 4.798 1.00 0.00 C ATOM 796 CD1 TRP A 47 87.683 5.866 4.158 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.546 5.635 6.222 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.741 6.237 5.099 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.225 6.112 6.383 1.00 0.00 C ATOM 800 CE3 TRP A 47 89.312 5.404 7.379 1.00 0.00 C ATOM 801 CZ2 TRP A 47 86.681 6.353 7.642 1.00 0.00 C ATOM 802 CZ3 TRP A 47 88.768 5.646 8.652 1.00 0.00 C ATOM 803 CH2 TRP A 47 87.454 6.120 8.783 1.00 0.00 C ATOM 0 H TRP A 47 90.273 6.380 1.592 1.00 0.00 H new ATOM 0 HA TRP A 47 90.977 6.939 4.443 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.815 4.364 3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.662 4.426 4.821 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.540 5.877 3.088 1.00 0.00 H new ATOM 0 HE1 TRP A 47 85.802 6.564 4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 47 90.324 5.038 7.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.669 6.717 7.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 89.365 5.466 9.534 1.00 0.00 H new ATOM 0 HH2 TRP A 47 87.041 6.304 9.764 1.00 0.00 H new ATOM 814 N SER A 48 93.193 5.648 4.054 1.00 0.00 N ATOM 815 CA SER A 48 94.549 5.176 3.643 1.00 0.00 C ATOM 816 C SER A 48 94.590 3.644 3.707 1.00 0.00 C ATOM 817 O SER A 48 94.103 3.041 4.642 1.00 0.00 O ATOM 818 CB SER A 48 95.601 5.774 4.578 1.00 0.00 C ATOM 819 OG SER A 48 95.946 7.074 4.119 1.00 0.00 O ATOM 0 H SER A 48 93.094 5.877 5.043 1.00 0.00 H new ATOM 0 HA SER A 48 94.761 5.496 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.214 5.825 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.486 5.138 4.605 1.00 0.00 H new ATOM 0 HG SER A 48 96.619 7.464 4.715 1.00 0.00 H new ATOM 825 N LEU A 49 95.162 3.012 2.716 1.00 0.00 N ATOM 826 CA LEU A 49 95.225 1.524 2.718 1.00 0.00 C ATOM 827 C LEU A 49 96.108 1.062 3.884 1.00 0.00 C ATOM 828 O LEU A 49 95.826 0.078 4.538 1.00 0.00 O ATOM 829 CB LEU A 49 95.819 1.040 1.372 1.00 0.00 C ATOM 830 CG LEU A 49 94.696 0.582 0.421 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.195 0.621 -1.028 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.267 -0.850 0.771 1.00 0.00 C ATOM 0 H LEU A 49 95.588 3.463 1.906 1.00 0.00 H new ATOM 0 HA LEU A 49 94.226 1.104 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.390 1.845 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.512 0.218 1.548 1.00 0.00 H new ATOM 0 HG LEU A 49 93.844 1.253 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.397 0.296 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.491 1.638 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.052 -0.044 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.473 -1.167 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.120 -1.521 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 49 93.903 -0.880 1.798 1.00 0.00 H new ATOM 844 N THR A 50 97.173 1.765 4.143 1.00 0.00 N ATOM 845 CA THR A 50 98.074 1.370 5.258 1.00 0.00 C ATOM 846 C THR A 50 97.335 1.527 6.588 1.00 0.00 C ATOM 847 O THR A 50 97.838 1.174 7.636 1.00 0.00 O ATOM 848 CB THR A 50 99.313 2.267 5.252 1.00 0.00 C ATOM 849 OG1 THR A 50 100.027 2.077 4.038 1.00 0.00 O ATOM 850 CG2 THR A 50 100.216 1.918 6.438 1.00 0.00 C ATOM 0 H THR A 50 97.459 2.598 3.629 1.00 0.00 H new ATOM 0 HA THR A 50 98.378 0.331 5.132 1.00 0.00 H new ATOM 0 HB THR A 50 99.003 3.309 5.335 1.00 0.00 H new ATOM 0 HG1 THR A 50 100.820 2.652 4.032 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.096 2.561 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 50 99.669 2.068 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 50 100.527 0.876 6.364 1.00 0.00 H new ATOM 858 N ASN A 51 96.143 2.058 6.552 1.00 0.00 N ATOM 859 CA ASN A 51 95.367 2.245 7.815 1.00 0.00 C ATOM 860 C ASN A 51 94.562 0.982 8.120 1.00 0.00 C ATOM 861 O ASN A 51 94.422 0.585 9.261 1.00 0.00 O ATOM 862 CB ASN A 51 94.405 3.424 7.655 1.00 0.00 C ATOM 863 CG ASN A 51 93.806 3.780 9.017 1.00 0.00 C ATOM 864 OD1 ASN A 51 94.323 3.383 10.042 1.00 0.00 O ATOM 865 ND2 ASN A 51 92.731 4.518 9.073 1.00 0.00 N ATOM 0 H ASN A 51 95.672 2.371 5.703 1.00 0.00 H new ATOM 0 HA ASN A 51 96.060 2.442 8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.932 4.284 7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.612 3.168 6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.326 4.761 9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.296 4.852 8.213 1.00 0.00 H new ATOM 872 N ILE A 52 94.024 0.350 7.114 1.00 0.00 N ATOM 873 CA ILE A 52 93.221 -0.880 7.357 1.00 0.00 C ATOM 874 C ILE A 52 94.043 -1.881 8.171 1.00 0.00 C ATOM 875 O ILE A 52 95.068 -2.364 7.731 1.00 0.00 O ATOM 876 CB ILE A 52 92.825 -1.510 6.018 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.908 -0.544 5.255 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.086 -2.827 6.276 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.644 -1.077 3.843 1.00 0.00 C ATOM 0 H ILE A 52 94.105 0.631 6.137 1.00 0.00 H new ATOM 0 HA ILE A 52 92.321 -0.617 7.913 1.00 0.00 H new ATOM 0 HB ILE A 52 93.718 -1.707 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.966 -0.425 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.370 0.442 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.803 -3.278 5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.738 -3.509 6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.190 -2.632 6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 52 90.993 -0.385 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.589 -1.173 3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.163 -2.053 3.907 1.00 0.00 H new ATOM 891 N LYS A 53 93.596 -2.198 9.355 1.00 0.00 N ATOM 892 CA LYS A 53 94.340 -3.171 10.203 1.00 0.00 C ATOM 893 C LYS A 53 93.981 -4.594 9.770 1.00 0.00 C ATOM 894 O LYS A 53 94.840 -5.429 9.569 1.00 0.00 O ATOM 895 CB LYS A 53 93.946 -2.966 11.668 1.00 0.00 C ATOM 896 CG LYS A 53 94.593 -4.050 12.531 1.00 0.00 C ATOM 897 CD LYS A 53 94.442 -3.682 14.007 1.00 0.00 C ATOM 898 CE LYS A 53 94.854 -4.872 14.875 1.00 0.00 C ATOM 899 NZ LYS A 53 94.899 -4.452 16.305 1.00 0.00 N ATOM 0 H LYS A 53 92.744 -1.823 9.773 1.00 0.00 H new ATOM 0 HA LYS A 53 95.413 -3.016 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 53 94.265 -1.980 12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.862 -3.004 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 94.124 -5.014 12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.648 -4.152 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 53 95.061 -2.816 14.242 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.410 -3.404 14.219 1.00 0.00 H new ATOM 0 HE2 LYS A 53 94.146 -5.691 14.748 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.830 -5.243 14.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.179 -5.261 16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.590 -3.684 16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.959 -4.118 16.599 1.00 0.00 H new ATOM 913 N ARG A 54 92.714 -4.873 9.625 1.00 0.00 N ATOM 914 CA ARG A 54 92.285 -6.239 9.202 1.00 0.00 C ATOM 915 C ARG A 54 90.931 -6.143 8.503 1.00 0.00 C ATOM 916 O ARG A 54 90.347 -5.082 8.405 1.00 0.00 O ATOM 917 CB ARG A 54 92.138 -7.142 10.435 1.00 0.00 C ATOM 918 CG ARG A 54 91.288 -6.429 11.505 1.00 0.00 C ATOM 919 CD ARG A 54 90.616 -7.453 12.426 1.00 0.00 C ATOM 920 NE ARG A 54 90.223 -6.777 13.696 1.00 0.00 N ATOM 921 CZ ARG A 54 89.425 -7.378 14.537 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.985 -8.578 14.275 1.00 0.00 N ATOM 923 NH2 ARG A 54 89.069 -6.779 15.641 1.00 0.00 N ATOM 0 H ARG A 54 91.954 -4.211 9.782 1.00 0.00 H new ATOM 0 HA ARG A 54 93.032 -6.657 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.669 -8.085 10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 54 93.121 -7.384 10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.918 -5.761 12.092 1.00 0.00 H new ATOM 0 HG3 ARG A 54 90.530 -5.811 11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.739 -7.879 11.939 1.00 0.00 H new ATOM 0 HD3 ARG A 54 91.298 -8.278 12.633 1.00 0.00 H new ATOM 0 HE ARG A 54 90.578 -5.844 13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.264 -9.047 13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.362 -9.047 14.932 1.00 0.00 H new ATOM 0 HH21 ARG A 54 89.414 -5.841 15.847 1.00 0.00 H new ATOM 0 HH22 ARG A 54 88.446 -7.249 16.298 1.00 0.00 H new ATOM 937 N TRP A 55 90.415 -7.244 8.036 1.00 0.00 N ATOM 938 CA TRP A 55 89.085 -7.211 7.367 1.00 0.00 C ATOM 939 C TRP A 55 88.455 -8.594 7.409 1.00 0.00 C ATOM 940 O TRP A 55 89.077 -9.560 7.781 1.00 0.00 O ATOM 941 CB TRP A 55 89.226 -6.758 5.908 1.00 0.00 C ATOM 942 CG TRP A 55 90.151 -7.674 5.171 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.819 -8.898 4.698 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.541 -7.456 4.801 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.925 -9.450 4.073 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.009 -8.597 4.107 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.435 -6.390 5.001 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.316 -8.676 3.627 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.751 -6.467 4.520 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.190 -7.608 3.834 1.00 0.00 C ATOM 0 H TRP A 55 90.854 -8.163 8.088 1.00 0.00 H new ATOM 0 HA TRP A 55 88.449 -6.501 7.896 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.249 -6.751 5.426 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.607 -5.737 5.871 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.851 -9.367 4.792 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.937 -10.374 3.641 1.00 0.00 H new ATOM 0 HE3 TRP A 55 92.107 -5.506 5.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.649 -9.557 3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.430 -5.642 4.679 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.204 -7.660 3.466 1.00 0.00 H new ATOM 961 N ALA A 56 87.216 -8.692 7.029 1.00 0.00 N ATOM 962 CA ALA A 56 86.529 -10.014 7.029 1.00 0.00 C ATOM 963 C ALA A 56 85.526 -10.022 5.877 1.00 0.00 C ATOM 964 O ALA A 56 84.579 -9.260 5.864 1.00 0.00 O ATOM 965 CB ALA A 56 85.806 -10.219 8.362 1.00 0.00 C ATOM 0 H ALA A 56 86.643 -7.909 6.716 1.00 0.00 H new ATOM 0 HA ALA A 56 87.250 -10.822 6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.305 -11.187 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.529 -10.188 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 56 85.068 -9.429 8.501 1.00 0.00 H new ATOM 971 N ALA A 57 85.735 -10.859 4.895 1.00 0.00 N ATOM 972 CA ALA A 57 84.806 -10.894 3.725 1.00 0.00 C ATOM 973 C ALA A 57 83.806 -12.035 3.879 1.00 0.00 C ATOM 974 O ALA A 57 84.162 -13.197 3.863 1.00 0.00 O ATOM 975 CB ALA A 57 85.619 -11.108 2.449 1.00 0.00 C ATOM 0 H ALA A 57 86.510 -11.521 4.852 1.00 0.00 H new ATOM 0 HA ALA A 57 84.263 -9.951 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.948 -11.135 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.330 -10.290 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.160 -12.052 2.516 1.00 0.00 H new ATOM 981 N SER A 58 82.546 -11.705 4.010 1.00 0.00 N ATOM 982 CA SER A 58 81.496 -12.749 4.146 1.00 0.00 C ATOM 983 C SER A 58 80.836 -12.936 2.768 1.00 0.00 C ATOM 984 O SER A 58 80.911 -12.051 1.939 1.00 0.00 O ATOM 985 CB SER A 58 80.462 -12.280 5.183 1.00 0.00 C ATOM 986 OG SER A 58 80.759 -12.879 6.438 1.00 0.00 O ATOM 0 H SER A 58 82.201 -10.745 4.028 1.00 0.00 H new ATOM 0 HA SER A 58 81.919 -13.697 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.483 -11.194 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.457 -12.555 4.863 1.00 0.00 H new ATOM 0 HG SER A 58 80.105 -12.583 7.105 1.00 0.00 H new ATOM 992 N PRO A 59 80.207 -14.069 2.548 1.00 0.00 N ATOM 993 CA PRO A 59 79.543 -14.340 1.258 1.00 0.00 C ATOM 994 C PRO A 59 78.463 -13.283 0.967 1.00 0.00 C ATOM 995 O PRO A 59 77.707 -13.415 0.025 1.00 0.00 O ATOM 996 CB PRO A 59 78.915 -15.745 1.431 1.00 0.00 C ATOM 997 CG PRO A 59 79.091 -16.145 2.922 1.00 0.00 C ATOM 998 CD PRO A 59 80.101 -15.163 3.540 1.00 0.00 C ATOM 0 HA PRO A 59 80.236 -14.301 0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.860 -15.731 1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.404 -16.468 0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.138 -16.098 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.451 -17.170 3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.755 -14.792 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.066 -15.640 3.710 1.00 0.00 H new ATOM 1006 N LYS A 60 78.361 -12.248 1.768 1.00 0.00 N ATOM 1007 CA LYS A 60 77.303 -11.222 1.519 1.00 0.00 C ATOM 1008 C LYS A 60 77.770 -9.825 1.933 1.00 0.00 C ATOM 1009 O LYS A 60 77.239 -8.835 1.472 1.00 0.00 O ATOM 1010 CB LYS A 60 76.077 -11.587 2.351 1.00 0.00 C ATOM 1011 CG LYS A 60 76.420 -11.484 3.843 1.00 0.00 C ATOM 1012 CD LYS A 60 75.455 -12.345 4.659 1.00 0.00 C ATOM 1013 CE LYS A 60 75.534 -11.949 6.136 1.00 0.00 C ATOM 1014 NZ LYS A 60 74.581 -12.780 6.927 1.00 0.00 N ATOM 0 H LYS A 60 78.959 -12.072 2.575 1.00 0.00 H new ATOM 0 HA LYS A 60 77.076 -11.208 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.250 -10.919 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.750 -12.599 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.446 -11.811 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.359 -10.446 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.437 -12.215 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.705 -13.399 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 60 76.549 -12.089 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 60 75.295 -10.892 6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.635 -12.510 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 73.613 -12.625 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.829 -13.785 6.825 1.00 0.00 H new ATOM 1028 N SER A 61 78.727 -9.728 2.818 1.00 0.00 N ATOM 1029 CA SER A 61 79.187 -8.372 3.278 1.00 0.00 C ATOM 1030 C SER A 61 80.709 -8.312 3.424 1.00 0.00 C ATOM 1031 O SER A 61 81.392 -9.315 3.476 1.00 0.00 O ATOM 1032 CB SER A 61 78.550 -8.069 4.632 1.00 0.00 C ATOM 1033 OG SER A 61 79.181 -6.930 5.201 1.00 0.00 O ATOM 0 H SER A 61 79.211 -10.519 3.243 1.00 0.00 H new ATOM 0 HA SER A 61 78.887 -7.638 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.482 -7.886 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.654 -8.927 5.296 1.00 0.00 H new ATOM 0 HG SER A 61 78.943 -6.132 4.684 1.00 0.00 H new ATOM 1039 N PHE A 62 81.231 -7.111 3.505 1.00 0.00 N ATOM 1040 CA PHE A 62 82.705 -6.900 3.667 1.00 0.00 C ATOM 1041 C PHE A 62 82.927 -6.022 4.904 1.00 0.00 C ATOM 1042 O PHE A 62 82.174 -5.102 5.155 1.00 0.00 O ATOM 1043 CB PHE A 62 83.262 -6.191 2.426 1.00 0.00 C ATOM 1044 CG PHE A 62 84.759 -6.013 2.564 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.593 -7.135 2.619 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.315 -4.727 2.638 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.978 -6.977 2.748 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.702 -4.571 2.766 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.532 -5.695 2.820 1.00 0.00 C ATOM 0 H PHE A 62 80.685 -6.250 3.465 1.00 0.00 H new ATOM 0 HA PHE A 62 83.214 -7.856 3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.037 -6.773 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.781 -5.220 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.167 -8.126 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.675 -3.858 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.619 -7.845 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 62 87.130 -3.581 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.601 -5.573 2.917 1.00 0.00 H new ATOM 1059 N THR A 63 83.939 -6.305 5.690 1.00 0.00 N ATOM 1060 CA THR A 63 84.192 -5.493 6.928 1.00 0.00 C ATOM 1061 C THR A 63 85.672 -5.113 7.000 1.00 0.00 C ATOM 1062 O THR A 63 86.534 -5.916 6.725 1.00 0.00 O ATOM 1063 CB THR A 63 83.820 -6.340 8.157 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.407 -6.462 8.230 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.342 -5.684 9.442 1.00 0.00 C ATOM 0 H THR A 63 84.602 -7.063 5.529 1.00 0.00 H new ATOM 0 HA THR A 63 83.591 -4.584 6.904 1.00 0.00 H new ATOM 0 HB THR A 63 84.276 -7.325 8.058 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.005 -6.105 7.411 1.00 0.00 H new ATOM 0 HG21 THR A 63 84.069 -6.298 10.301 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.427 -5.595 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.901 -4.693 9.550 1.00 0.00 H new ATOM 1073 N LEU A 64 85.967 -3.894 7.389 1.00 0.00 N ATOM 1074 CA LEU A 64 87.396 -3.450 7.509 1.00 0.00 C ATOM 1075 C LEU A 64 87.584 -2.789 8.875 1.00 0.00 C ATOM 1076 O LEU A 64 86.641 -2.317 9.480 1.00 0.00 O ATOM 1077 CB LEU A 64 87.749 -2.450 6.391 1.00 0.00 C ATOM 1078 CG LEU A 64 86.532 -1.556 6.071 1.00 0.00 C ATOM 1079 CD1 LEU A 64 87.009 -0.182 5.576 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.653 -2.216 4.986 1.00 0.00 C ATOM 0 H LEU A 64 85.276 -3.183 7.630 1.00 0.00 H new ATOM 0 HA LEU A 64 88.055 -4.313 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.592 -1.832 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 64 88.059 -2.989 5.496 1.00 0.00 H new ATOM 0 HG LEU A 64 85.943 -1.431 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.145 0.444 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.611 0.294 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.609 -0.308 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.798 -1.575 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.240 -2.356 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.300 -3.183 5.343 1.00 0.00 H new ATOM 1092 N ASP A 65 88.796 -2.762 9.369 1.00 0.00 N ATOM 1093 CA ASP A 65 89.065 -2.143 10.708 1.00 0.00 C ATOM 1094 C ASP A 65 90.239 -1.171 10.595 1.00 0.00 C ATOM 1095 O ASP A 65 91.334 -1.543 10.222 1.00 0.00 O ATOM 1096 CB ASP A 65 89.414 -3.240 11.720 1.00 0.00 C ATOM 1097 CG ASP A 65 88.430 -4.407 11.582 1.00 0.00 C ATOM 1098 OD1 ASP A 65 88.160 -4.803 10.461 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.967 -4.888 12.603 1.00 0.00 O ATOM 0 H ASP A 65 89.618 -3.144 8.901 1.00 0.00 H new ATOM 0 HA ASP A 65 88.176 -1.607 11.042 1.00 0.00 H new ATOM 0 HB2 ASP A 65 90.433 -3.590 11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 65 89.376 -2.838 12.733 1.00 0.00 H new ATOM 1104 N PHE A 66 90.020 0.072 10.925 1.00 0.00 N ATOM 1105 CA PHE A 66 91.121 1.073 10.851 1.00 0.00 C ATOM 1106 C PHE A 66 91.848 1.099 12.192 1.00 0.00 C ATOM 1107 O PHE A 66 92.811 1.815 12.379 1.00 0.00 O ATOM 1108 CB PHE A 66 90.529 2.453 10.570 1.00 0.00 C ATOM 1109 CG PHE A 66 89.942 2.476 9.176 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.785 2.367 8.063 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.559 2.607 8.996 1.00 0.00 C ATOM 1112 CE1 PHE A 66 90.245 2.389 6.771 1.00 0.00 C ATOM 1113 CE2 PHE A 66 88.020 2.629 7.704 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.863 2.519 6.591 1.00 0.00 C ATOM 0 H PHE A 66 89.123 0.438 11.244 1.00 0.00 H new ATOM 0 HA PHE A 66 91.816 0.807 10.055 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.758 2.686 11.305 1.00 0.00 H new ATOM 0 HB3 PHE A 66 91.300 3.217 10.664 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.851 2.266 8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.908 2.691 9.854 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.895 2.306 5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.954 2.731 7.566 1.00 0.00 H new ATOM 0 HZ PHE A 66 88.447 2.534 5.594 1.00 0.00 H new ATOM 1124 N GLY A 67 91.383 0.321 13.129 1.00 0.00 N ATOM 1125 CA GLY A 67 92.031 0.291 14.470 1.00 0.00 C ATOM 1126 C GLY A 67 91.512 1.458 15.310 1.00 0.00 C ATOM 1127 O GLY A 67 91.862 1.607 16.465 1.00 0.00 O ATOM 0 H GLY A 67 90.579 -0.298 13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.817 -0.654 14.969 1.00 0.00 H new ATOM 0 HA3 GLY A 67 93.114 0.357 14.365 1.00 0.00 H new ATOM 1131 N ASP A 68 90.679 2.290 14.742 1.00 0.00 N ATOM 1132 CA ASP A 68 90.142 3.447 15.513 1.00 0.00 C ATOM 1133 C ASP A 68 88.944 2.996 16.349 1.00 0.00 C ATOM 1134 O ASP A 68 87.819 3.003 15.892 1.00 0.00 O ATOM 1135 CB ASP A 68 89.698 4.551 14.552 1.00 0.00 C ATOM 1136 CG ASP A 68 90.758 4.752 13.467 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.223 3.763 12.926 1.00 0.00 O ATOM 1138 OD2 ASP A 68 91.087 5.895 13.195 1.00 0.00 O ATOM 0 H ASP A 68 90.349 2.218 13.780 1.00 0.00 H new ATOM 0 HA ASP A 68 90.924 3.830 16.169 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.744 4.287 14.096 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.543 5.481 15.099 1.00 0.00 H new ATOM 1143 N TYR A 69 89.174 2.615 17.576 1.00 0.00 N ATOM 1144 CA TYR A 69 88.047 2.179 18.446 1.00 0.00 C ATOM 1145 C TYR A 69 86.923 3.209 18.350 1.00 0.00 C ATOM 1146 O TYR A 69 85.754 2.881 18.325 1.00 0.00 O ATOM 1147 CB TYR A 69 88.537 2.090 19.892 1.00 0.00 C ATOM 1148 CG TYR A 69 87.367 1.820 20.805 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.849 0.526 20.909 1.00 0.00 C ATOM 1150 CD2 TYR A 69 86.802 2.864 21.546 1.00 0.00 C ATOM 1151 CE1 TYR A 69 85.764 0.273 21.756 1.00 0.00 C ATOM 1152 CE2 TYR A 69 85.717 2.613 22.393 1.00 0.00 C ATOM 1153 CZ TYR A 69 85.198 1.317 22.499 1.00 0.00 C ATOM 1154 OH TYR A 69 84.128 1.068 23.334 1.00 0.00 O ATOM 0 H TYR A 69 90.095 2.587 18.013 1.00 0.00 H new ATOM 0 HA TYR A 69 87.681 1.204 18.126 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.277 1.296 19.988 1.00 0.00 H new ATOM 0 HB3 TYR A 69 89.028 3.020 20.178 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.286 -0.278 20.336 1.00 0.00 H new ATOM 0 HD2 TYR A 69 87.203 3.863 21.464 1.00 0.00 H new ATOM 0 HE1 TYR A 69 85.363 -0.727 21.837 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.280 3.418 22.965 1.00 0.00 H new ATOM 0 HH TYR A 69 83.857 1.900 23.776 1.00 0.00 H new ATOM 1164 N GLN A 70 87.286 4.455 18.290 1.00 0.00 N ATOM 1165 CA GLN A 70 86.272 5.536 18.188 1.00 0.00 C ATOM 1166 C GLN A 70 85.379 5.289 16.974 1.00 0.00 C ATOM 1167 O GLN A 70 84.233 4.906 17.097 1.00 0.00 O ATOM 1168 CB GLN A 70 86.997 6.869 18.012 1.00 0.00 C ATOM 1169 CG GLN A 70 86.007 8.022 18.138 1.00 0.00 C ATOM 1170 CD GLN A 70 85.643 8.232 19.610 1.00 0.00 C ATOM 1171 OE1 GLN A 70 84.669 7.688 20.091 1.00 0.00 O ATOM 1172 NE2 GLN A 70 86.391 9.004 20.350 1.00 0.00 N ATOM 0 H GLN A 70 88.254 4.775 18.307 1.00 0.00 H new ATOM 0 HA GLN A 70 85.659 5.554 19.089 1.00 0.00 H new ATOM 0 HB2 GLN A 70 87.781 6.968 18.763 1.00 0.00 H new ATOM 0 HB3 GLN A 70 87.484 6.902 17.037 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.442 8.933 17.727 1.00 0.00 H new ATOM 0 HG3 GLN A 70 85.109 7.808 17.558 1.00 0.00 H new ATOM 0 HE21 GLN A 70 87.209 9.461 19.946 1.00 0.00 H new ATOM 0 HE22 GLN A 70 86.158 9.151 21.332 1.00 0.00 H new ATOM 1181 N ASP A 71 85.901 5.514 15.801 1.00 0.00 N ATOM 1182 CA ASP A 71 85.096 5.306 14.571 1.00 0.00 C ATOM 1183 C ASP A 71 84.546 3.882 14.558 1.00 0.00 C ATOM 1184 O ASP A 71 83.484 3.618 14.032 1.00 0.00 O ATOM 1185 CB ASP A 71 85.989 5.528 13.354 1.00 0.00 C ATOM 1186 CG ASP A 71 85.124 5.732 12.108 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.298 4.875 11.838 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.302 6.741 11.446 1.00 0.00 O ATOM 0 H ASP A 71 86.856 5.835 15.643 1.00 0.00 H new ATOM 0 HA ASP A 71 84.263 6.009 14.547 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.626 6.398 13.512 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.649 4.672 13.214 1.00 0.00 H new ATOM 1193 N GLY A 72 85.265 2.965 15.136 1.00 0.00 N ATOM 1194 CA GLY A 72 84.789 1.556 15.163 1.00 0.00 C ATOM 1195 C GLY A 72 85.012 0.909 13.797 1.00 0.00 C ATOM 1196 O GLY A 72 85.657 1.466 12.931 1.00 0.00 O ATOM 0 H GLY A 72 86.163 3.129 15.592 1.00 0.00 H new ATOM 0 HA2 GLY A 72 85.322 0.997 15.932 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.731 1.525 15.422 1.00 0.00 H new ATOM 1200 N TYR A 73 84.486 -0.267 13.600 1.00 0.00 N ATOM 1201 CA TYR A 73 84.670 -0.957 12.293 1.00 0.00 C ATOM 1202 C TYR A 73 83.750 -0.338 11.240 1.00 0.00 C ATOM 1203 O TYR A 73 82.811 0.367 11.552 1.00 0.00 O ATOM 1204 CB TYR A 73 84.330 -2.441 12.445 1.00 0.00 C ATOM 1205 CG TYR A 73 85.068 -3.017 13.632 1.00 0.00 C ATOM 1206 CD1 TYR A 73 86.466 -3.016 13.647 1.00 0.00 C ATOM 1207 CD2 TYR A 73 84.357 -3.555 14.713 1.00 0.00 C ATOM 1208 CE1 TYR A 73 87.156 -3.553 14.741 1.00 0.00 C ATOM 1209 CE2 TYR A 73 85.047 -4.091 15.807 1.00 0.00 C ATOM 1210 CZ TYR A 73 86.447 -4.090 15.821 1.00 0.00 C ATOM 1211 OH TYR A 73 87.127 -4.619 16.899 1.00 0.00 O ATOM 0 H TYR A 73 83.936 -0.781 14.288 1.00 0.00 H new ATOM 0 HA TYR A 73 85.707 -0.845 11.977 1.00 0.00 H new ATOM 0 HB2 TYR A 73 83.255 -2.565 12.578 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.603 -2.981 11.538 1.00 0.00 H new ATOM 0 HD1 TYR A 73 87.014 -2.601 12.814 1.00 0.00 H new ATOM 0 HD2 TYR A 73 83.277 -3.556 14.702 1.00 0.00 H new ATOM 0 HE1 TYR A 73 88.236 -3.553 14.751 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.499 -4.505 16.640 1.00 0.00 H new ATOM 0 HH TYR A 73 86.484 -4.948 17.562 1.00 0.00 H new ATOM 1221 N TYR A 74 84.015 -0.617 9.990 1.00 0.00 N ATOM 1222 CA TYR A 74 83.176 -0.084 8.879 1.00 0.00 C ATOM 1223 C TYR A 74 82.839 -1.242 7.947 1.00 0.00 C ATOM 1224 O TYR A 74 83.683 -1.739 7.235 1.00 0.00 O ATOM 1225 CB TYR A 74 83.965 0.975 8.108 1.00 0.00 C ATOM 1226 CG TYR A 74 83.104 1.577 7.019 1.00 0.00 C ATOM 1227 CD1 TYR A 74 82.216 2.619 7.318 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.202 1.098 5.706 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.428 3.179 6.304 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.413 1.658 4.694 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.526 2.699 4.993 1.00 0.00 C ATOM 1232 OH TYR A 74 80.749 3.253 3.995 1.00 0.00 O ATOM 0 H TYR A 74 84.793 -1.203 9.688 1.00 0.00 H new ATOM 0 HA TYR A 74 82.265 0.367 9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 74 84.301 1.756 8.790 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.857 0.527 7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 74 82.139 2.990 8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.887 0.296 5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.744 3.982 6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.489 1.287 3.683 1.00 0.00 H new ATOM 0 HH TYR A 74 80.941 2.805 3.145 1.00 0.00 H new ATOM 1242 N SER A 75 81.617 -1.685 7.958 1.00 0.00 N ATOM 1243 CA SER A 75 81.211 -2.830 7.085 1.00 0.00 C ATOM 1244 C SER A 75 79.949 -2.479 6.307 1.00 0.00 C ATOM 1245 O SER A 75 79.180 -1.621 6.691 1.00 0.00 O ATOM 1246 CB SER A 75 80.941 -4.055 7.956 1.00 0.00 C ATOM 1247 OG SER A 75 80.751 -5.190 7.121 1.00 0.00 O ATOM 0 H SER A 75 80.870 -1.303 8.538 1.00 0.00 H new ATOM 0 HA SER A 75 82.015 -3.042 6.380 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.776 -4.224 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 75 80.057 -3.890 8.572 1.00 0.00 H new ATOM 0 HG SER A 75 81.130 -5.011 6.235 1.00 0.00 H new ATOM 1253 N VAL A 76 79.741 -3.151 5.211 1.00 0.00 N ATOM 1254 CA VAL A 76 78.539 -2.891 4.370 1.00 0.00 C ATOM 1255 C VAL A 76 78.178 -4.175 3.627 1.00 0.00 C ATOM 1256 O VAL A 76 78.905 -5.147 3.665 1.00 0.00 O ATOM 1257 CB VAL A 76 78.852 -1.787 3.358 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.109 -0.466 4.093 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.097 -2.176 2.557 1.00 0.00 C ATOM 0 H VAL A 76 80.361 -3.879 4.857 1.00 0.00 H new ATOM 0 HA VAL A 76 77.706 -2.575 4.998 1.00 0.00 H new ATOM 0 HB VAL A 76 78.004 -1.662 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.331 0.317 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.223 -0.190 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.955 -0.585 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.324 -1.392 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.942 -2.301 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.913 -3.113 2.031 1.00 0.00 H new ATOM 1269 N GLN A 77 77.064 -4.197 2.954 1.00 0.00 N ATOM 1270 CA GLN A 77 76.673 -5.425 2.222 1.00 0.00 C ATOM 1271 C GLN A 77 77.469 -5.518 0.922 1.00 0.00 C ATOM 1272 O GLN A 77 77.679 -4.538 0.237 1.00 0.00 O ATOM 1273 CB GLN A 77 75.181 -5.363 1.906 1.00 0.00 C ATOM 1274 CG GLN A 77 74.383 -5.638 3.180 1.00 0.00 C ATOM 1275 CD GLN A 77 72.917 -5.281 2.948 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.617 -4.347 2.234 1.00 0.00 O ATOM 1277 NE2 GLN A 77 71.985 -5.988 3.524 1.00 0.00 N ATOM 0 H GLN A 77 76.410 -3.418 2.881 1.00 0.00 H new ATOM 0 HA GLN A 77 76.882 -6.302 2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.923 -4.383 1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.929 -6.096 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.473 -6.688 3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.785 -5.053 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.238 -6.773 4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.003 -5.756 3.374 1.00 0.00 H new ATOM 1286 N THR A 78 77.919 -6.697 0.583 1.00 0.00 N ATOM 1287 CA THR A 78 78.713 -6.876 -0.661 1.00 0.00 C ATOM 1288 C THR A 78 78.485 -8.281 -1.206 1.00 0.00 C ATOM 1289 O THR A 78 78.809 -9.265 -0.571 1.00 0.00 O ATOM 1290 CB THR A 78 80.200 -6.712 -0.351 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.613 -7.756 0.519 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.445 -5.364 0.322 1.00 0.00 C ATOM 0 H THR A 78 77.767 -7.550 1.122 1.00 0.00 H new ATOM 0 HA THR A 78 78.402 -6.131 -1.393 1.00 0.00 H new ATOM 0 HB THR A 78 80.770 -6.756 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.072 -8.556 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.507 -5.254 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.126 -4.562 -0.344 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.877 -5.312 1.251 1.00 0.00 H new ATOM 1300 N THR A 79 77.947 -8.381 -2.380 1.00 0.00 N ATOM 1301 CA THR A 79 77.714 -9.722 -2.976 1.00 0.00 C ATOM 1302 C THR A 79 79.066 -10.356 -3.285 1.00 0.00 C ATOM 1303 O THR A 79 79.179 -11.552 -3.470 1.00 0.00 O ATOM 1304 CB THR A 79 76.924 -9.571 -4.272 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.706 -8.889 -4.008 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.626 -10.952 -4.854 1.00 0.00 C ATOM 0 H THR A 79 77.656 -7.592 -2.957 1.00 0.00 H new ATOM 0 HA THR A 79 77.153 -10.347 -2.281 1.00 0.00 H new ATOM 0 HB THR A 79 77.510 -8.998 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.199 -8.790 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.061 -10.843 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.563 -11.470 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.041 -11.530 -4.139 1.00 0.00 H new ATOM 1314 N GLU A 80 80.093 -9.549 -3.347 1.00 0.00 N ATOM 1315 CA GLU A 80 81.460 -10.068 -3.649 1.00 0.00 C ATOM 1316 C GLU A 80 82.465 -9.479 -2.660 1.00 0.00 C ATOM 1317 O GLU A 80 83.579 -9.149 -3.017 1.00 0.00 O ATOM 1318 CB GLU A 80 81.855 -9.660 -5.067 1.00 0.00 C ATOM 1319 CG GLU A 80 80.693 -9.934 -6.023 1.00 0.00 C ATOM 1320 CD GLU A 80 81.133 -9.652 -7.461 1.00 0.00 C ATOM 1321 OE1 GLU A 80 81.664 -8.579 -7.698 1.00 0.00 O ATOM 1322 OE2 GLU A 80 80.932 -10.513 -8.301 1.00 0.00 O ATOM 0 H GLU A 80 80.042 -8.541 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 80 81.459 -11.155 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.118 -8.602 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.738 -10.215 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.368 -10.970 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 80 79.840 -9.307 -5.764 1.00 0.00 H new ATOM 1329 N GLY A 81 82.088 -9.352 -1.421 1.00 0.00 N ATOM 1330 CA GLY A 81 83.032 -8.792 -0.412 1.00 0.00 C ATOM 1331 C GLY A 81 84.373 -9.516 -0.524 1.00 0.00 C ATOM 1332 O GLY A 81 85.381 -9.068 -0.016 1.00 0.00 O ATOM 0 H GLY A 81 81.169 -9.611 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.167 -7.723 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.623 -8.911 0.592 1.00 0.00 H new ATOM 1336 N GLU A 82 84.387 -10.638 -1.189 1.00 0.00 N ATOM 1337 CA GLU A 82 85.653 -11.404 -1.342 1.00 0.00 C ATOM 1338 C GLU A 82 86.551 -10.689 -2.353 1.00 0.00 C ATOM 1339 O GLU A 82 87.666 -10.311 -2.054 1.00 0.00 O ATOM 1340 CB GLU A 82 85.314 -12.818 -1.838 1.00 0.00 C ATOM 1341 CG GLU A 82 86.564 -13.496 -2.397 1.00 0.00 C ATOM 1342 CD GLU A 82 86.342 -15.009 -2.482 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.502 -15.670 -1.470 1.00 0.00 O ATOM 1344 OE2 GLU A 82 86.017 -15.479 -3.560 1.00 0.00 O ATOM 0 H GLU A 82 83.571 -11.058 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 82 86.177 -11.471 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 82 84.906 -13.410 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.544 -12.766 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 82 86.794 -13.097 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.421 -13.281 -1.759 1.00 0.00 H new ATOM 1351 N GLN A 83 86.067 -10.499 -3.545 1.00 0.00 N ATOM 1352 CA GLN A 83 86.884 -9.803 -4.579 1.00 0.00 C ATOM 1353 C GLN A 83 87.363 -8.483 -4.003 1.00 0.00 C ATOM 1354 O GLN A 83 88.517 -8.120 -4.113 1.00 0.00 O ATOM 1355 CB GLN A 83 86.037 -9.533 -5.823 1.00 0.00 C ATOM 1356 CG GLN A 83 85.359 -10.818 -6.283 1.00 0.00 C ATOM 1357 CD GLN A 83 84.331 -10.494 -7.364 1.00 0.00 C ATOM 1358 OE1 GLN A 83 83.272 -11.243 -7.467 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 84.494 -9.555 -8.119 1.00 0.00 N flip ATOM 0 H GLN A 83 85.140 -10.795 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 83 87.732 -10.428 -4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.286 -8.775 -5.603 1.00 0.00 H new ATOM 0 HB3 GLN A 83 86.665 -9.138 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.102 -11.515 -6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 83 84.873 -11.307 -5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 83 85.326 -8.971 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.799 -9.351 -8.837 1.00 0.00 H new ATOM 1368 N ILE A 84 86.483 -7.773 -3.369 1.00 0.00 N ATOM 1369 CA ILE A 84 86.882 -6.482 -2.755 1.00 0.00 C ATOM 1370 C ILE A 84 88.057 -6.758 -1.821 1.00 0.00 C ATOM 1371 O ILE A 84 88.919 -5.926 -1.615 1.00 0.00 O ATOM 1372 CB ILE A 84 85.704 -5.916 -1.961 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.469 -5.860 -2.867 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.040 -4.507 -1.465 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.333 -5.126 -2.151 1.00 0.00 C ATOM 0 H ILE A 84 85.503 -8.029 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 84 87.168 -5.758 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 84 85.503 -6.557 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 84 84.713 -5.350 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.153 -6.870 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.197 -4.109 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 84 86.920 -4.547 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.243 -3.860 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.458 -5.089 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.081 -5.654 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.650 -4.111 -1.911 1.00 0.00 H new ATOM 1387 N ALA A 85 88.097 -7.940 -1.266 1.00 0.00 N ATOM 1388 CA ALA A 85 89.213 -8.309 -0.354 1.00 0.00 C ATOM 1389 C ALA A 85 90.397 -8.799 -1.188 1.00 0.00 C ATOM 1390 O ALA A 85 91.537 -8.706 -0.782 1.00 0.00 O ATOM 1391 CB ALA A 85 88.751 -9.424 0.589 1.00 0.00 C ATOM 0 H ALA A 85 87.398 -8.669 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 85 89.513 -7.442 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.567 -9.696 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.901 -9.075 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.455 -10.295 0.005 1.00 0.00 H new ATOM 1397 N GLN A 86 90.131 -9.324 -2.354 1.00 0.00 N ATOM 1398 CA GLN A 86 91.233 -9.823 -3.218 1.00 0.00 C ATOM 1399 C GLN A 86 91.863 -8.650 -3.954 1.00 0.00 C ATOM 1400 O GLN A 86 93.064 -8.580 -4.130 1.00 0.00 O ATOM 1401 CB GLN A 86 90.669 -10.812 -4.233 1.00 0.00 C ATOM 1402 CG GLN A 86 91.811 -11.575 -4.896 1.00 0.00 C ATOM 1403 CD GLN A 86 91.308 -12.261 -6.165 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.131 -12.526 -6.303 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.160 -12.561 -7.104 1.00 0.00 N ATOM 0 H GLN A 86 89.194 -9.428 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 86 91.986 -10.318 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 86 89.992 -11.509 -3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.087 -10.282 -4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.624 -10.891 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.214 -12.317 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.148 -12.338 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 86 91.839 -13.019 -7.957 1.00 0.00 H new ATOM 1414 N LEU A 87 91.059 -7.725 -4.378 1.00 0.00 N ATOM 1415 CA LEU A 87 91.599 -6.548 -5.096 1.00 0.00 C ATOM 1416 C LEU A 87 92.362 -5.698 -4.091 1.00 0.00 C ATOM 1417 O LEU A 87 93.424 -5.176 -4.367 1.00 0.00 O ATOM 1418 CB LEU A 87 90.439 -5.742 -5.690 1.00 0.00 C ATOM 1419 CG LEU A 87 90.962 -4.444 -6.315 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.059 -4.760 -7.347 1.00 0.00 C ATOM 1421 CD2 LEU A 87 89.801 -3.717 -7.002 1.00 0.00 C ATOM 0 H LEU A 87 90.046 -7.734 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 87 92.261 -6.857 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 87 89.923 -6.336 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.711 -5.512 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 87 91.385 -3.811 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.424 -3.831 -7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 87 92.883 -5.278 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.648 -5.395 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.165 -2.792 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.381 -4.355 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.030 -3.486 -6.267 1.00 0.00 H new ATOM 1433 N ILE A 88 91.819 -5.573 -2.919 1.00 0.00 N ATOM 1434 CA ILE A 88 92.485 -4.778 -1.860 1.00 0.00 C ATOM 1435 C ILE A 88 93.703 -5.557 -1.359 1.00 0.00 C ATOM 1436 O ILE A 88 94.807 -5.052 -1.323 1.00 0.00 O ATOM 1437 CB ILE A 88 91.489 -4.554 -0.714 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.474 -3.483 -1.133 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.234 -4.097 0.549 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.362 -3.381 -0.087 1.00 0.00 C ATOM 0 H ILE A 88 90.931 -5.993 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 88 92.810 -3.812 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 88 90.970 -5.488 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.973 -2.520 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.049 -3.733 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.519 -3.941 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.953 -4.861 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.759 -3.164 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.645 -2.618 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.855 -4.342 -0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.793 -3.110 0.877 1.00 0.00 H new ATOM 1452 N ALA A 89 93.507 -6.788 -0.982 1.00 0.00 N ATOM 1453 CA ALA A 89 94.649 -7.610 -0.490 1.00 0.00 C ATOM 1454 C ALA A 89 95.756 -7.596 -1.543 1.00 0.00 C ATOM 1455 O ALA A 89 96.892 -7.931 -1.273 1.00 0.00 O ATOM 1456 CB ALA A 89 94.184 -9.049 -0.261 1.00 0.00 C ATOM 0 H ALA A 89 92.604 -7.263 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 89 95.022 -7.200 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.020 -9.649 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.385 -9.060 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.815 -9.466 -1.198 1.00 0.00 H new ATOM 1462 N GLY A 90 95.423 -7.221 -2.749 1.00 0.00 N ATOM 1463 CA GLY A 90 96.442 -7.193 -3.840 1.00 0.00 C ATOM 1464 C GLY A 90 97.139 -5.831 -3.887 1.00 0.00 C ATOM 1465 O GLY A 90 98.279 -5.729 -4.292 1.00 0.00 O ATOM 0 H GLY A 90 94.485 -6.932 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.179 -7.980 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 90 95.964 -7.397 -4.798 1.00 0.00 H new ATOM 1469 N TYR A 91 96.473 -4.780 -3.486 1.00 0.00 N ATOM 1470 CA TYR A 91 97.122 -3.436 -3.524 1.00 0.00 C ATOM 1471 C TYR A 91 98.027 -3.280 -2.300 1.00 0.00 C ATOM 1472 O TYR A 91 99.070 -2.659 -2.360 1.00 0.00 O ATOM 1473 CB TYR A 91 96.044 -2.337 -3.501 1.00 0.00 C ATOM 1474 CG TYR A 91 95.502 -2.087 -4.898 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.357 -1.655 -5.924 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.138 -2.268 -5.161 1.00 0.00 C ATOM 1477 CE1 TYR A 91 95.848 -1.412 -7.205 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.632 -2.022 -6.442 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.487 -1.596 -7.464 1.00 0.00 C ATOM 1480 OH TYR A 91 93.985 -1.354 -8.727 1.00 0.00 O ATOM 0 H TYR A 91 95.515 -4.793 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 91 97.712 -3.344 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.231 -2.632 -2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.465 -1.416 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.409 -1.510 -5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.476 -2.598 -4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.508 -1.082 -7.994 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.580 -2.161 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 91 93.021 -1.532 -8.736 1.00 0.00 H new ATOM 1490 N ILE A 92 97.630 -3.831 -1.191 1.00 0.00 N ATOM 1491 CA ILE A 92 98.456 -3.708 0.038 1.00 0.00 C ATOM 1492 C ILE A 92 99.842 -4.300 -0.213 1.00 0.00 C ATOM 1493 O ILE A 92 100.803 -3.972 0.455 1.00 0.00 O ATOM 1494 CB ILE A 92 97.775 -4.461 1.178 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.373 -3.882 1.386 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.598 -4.298 2.460 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.625 -4.702 2.438 1.00 0.00 C ATOM 0 H ILE A 92 96.767 -4.363 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 92 98.560 -2.656 0.305 1.00 0.00 H new ATOM 0 HB ILE A 92 97.702 -5.521 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.443 -2.842 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 92 95.822 -3.891 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.113 -4.835 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.598 -4.702 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.669 -3.241 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.628 -4.286 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.542 -5.736 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.171 -4.670 3.381 1.00 0.00 H new ATOM 1509 N ASP A 93 99.948 -5.176 -1.171 1.00 0.00 N ATOM 1510 CA ASP A 93 101.263 -5.806 -1.477 1.00 0.00 C ATOM 1511 C ASP A 93 102.070 -4.905 -2.415 1.00 0.00 C ATOM 1512 O ASP A 93 103.279 -4.999 -2.494 1.00 0.00 O ATOM 1513 CB ASP A 93 101.021 -7.156 -2.155 1.00 0.00 C ATOM 1514 CG ASP A 93 100.540 -8.172 -1.118 1.00 0.00 C ATOM 1515 OD1 ASP A 93 99.348 -8.206 -0.859 1.00 0.00 O ATOM 1516 OD2 ASP A 93 101.371 -8.901 -0.601 1.00 0.00 O ATOM 0 H ASP A 93 99.175 -5.485 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 93 101.822 -5.946 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.279 -7.049 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 93 101.939 -7.508 -2.625 1.00 0.00 H new ATOM 1521 N ILE A 94 101.409 -4.044 -3.140 1.00 0.00 N ATOM 1522 CA ILE A 94 102.131 -3.149 -4.091 1.00 0.00 C ATOM 1523 C ILE A 94 102.606 -1.886 -3.377 1.00 0.00 C ATOM 1524 O ILE A 94 103.523 -1.224 -3.817 1.00 0.00 O ATOM 1525 CB ILE A 94 101.193 -2.772 -5.233 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.671 -4.056 -5.885 1.00 0.00 C ATOM 1527 CG2 ILE A 94 101.962 -1.942 -6.264 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.661 -3.716 -6.982 1.00 0.00 C ATOM 0 H ILE A 94 100.397 -3.921 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 94 103.002 -3.674 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 94 100.355 -2.186 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.501 -4.622 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.203 -4.691 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.295 -1.670 -7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.344 -1.037 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 94 102.795 -2.527 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.296 -4.636 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 94 98.823 -3.169 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.142 -3.100 -7.741 1.00 0.00 H new ATOM 1540 N ILE A 95 101.998 -1.542 -2.279 1.00 0.00 N ATOM 1541 CA ILE A 95 102.436 -0.320 -1.545 1.00 0.00 C ATOM 1542 C ILE A 95 103.608 -0.686 -0.643 1.00 0.00 C ATOM 1543 O ILE A 95 104.414 0.142 -0.269 1.00 0.00 O ATOM 1544 CB ILE A 95 101.289 0.208 -0.690 1.00 0.00 C ATOM 1545 CG1 ILE A 95 100.803 -0.895 0.248 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.143 0.652 -1.597 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.583 -0.398 1.027 1.00 0.00 C ATOM 0 H ILE A 95 101.220 -2.050 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 95 102.734 0.449 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 95 101.634 1.057 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.545 -1.786 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.598 -1.178 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.322 1.030 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.492 1.440 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 95 99.796 -0.196 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.234 -1.184 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 95 99.857 0.481 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 95 98.787 -0.137 0.329 1.00 0.00 H new ATOM 1559 N LEU A 96 103.691 -1.931 -0.284 1.00 0.00 N ATOM 1560 CA LEU A 96 104.790 -2.392 0.608 1.00 0.00 C ATOM 1561 C LEU A 96 106.061 -2.648 -0.214 1.00 0.00 C ATOM 1562 O LEU A 96 107.162 -2.589 0.296 1.00 0.00 O ATOM 1563 CB LEU A 96 104.341 -3.695 1.286 1.00 0.00 C ATOM 1564 CG LEU A 96 103.495 -3.389 2.536 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.734 -4.652 2.945 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.393 -2.931 3.704 1.00 0.00 C ATOM 0 H LEU A 96 103.038 -2.660 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 96 105.009 -1.630 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.761 -4.295 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.213 -4.286 1.566 1.00 0.00 H new ATOM 0 HG LEU A 96 102.795 -2.587 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.132 -4.444 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 96 102.083 -4.965 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.444 -5.448 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 96 103.775 -2.720 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.106 -3.719 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 96 104.933 -2.029 3.416 1.00 0.00 H new ATOM 1681 N TRP B 2 89.187 -14.723 10.760 1.00 0.00 N ATOM 1682 CA TRP B 2 89.514 -13.330 10.342 1.00 0.00 C ATOM 1683 C TRP B 2 90.688 -13.365 9.357 1.00 0.00 C ATOM 1684 O TRP B 2 91.183 -14.414 8.994 1.00 0.00 O ATOM 1685 CB TRP B 2 89.898 -12.497 11.585 1.00 0.00 C ATOM 1686 CG TRP B 2 88.686 -11.845 12.176 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.977 -12.323 13.221 1.00 0.00 C ATOM 1688 CD2 TRP B 2 88.043 -10.601 11.779 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.938 -11.450 13.493 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.937 -10.372 12.629 1.00 0.00 C ATOM 1691 CE3 TRP B 2 88.311 -9.659 10.771 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 86.126 -9.244 12.486 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.499 -8.524 10.623 1.00 0.00 C ATOM 1694 CH2 TRP B 2 86.410 -8.317 11.478 1.00 0.00 C ATOM 0 HA TRP B 2 88.649 -12.875 9.860 1.00 0.00 H new ATOM 0 HB2 TRP B 2 90.371 -13.139 12.328 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.629 -11.737 11.309 1.00 0.00 H new ATOM 0 HD1 TRP B 2 88.186 -13.237 13.757 1.00 0.00 H new ATOM 0 HE1 TRP B 2 86.257 -11.586 14.240 1.00 0.00 H new ATOM 0 HE3 TRP B 2 89.148 -9.810 10.105 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 85.287 -9.089 13.148 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.715 -7.806 9.845 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.789 -7.441 11.359 1.00 0.00 H new ATOM 1705 N VAL B 3 91.137 -12.218 8.931 1.00 0.00 N ATOM 1706 CA VAL B 3 92.277 -12.149 7.980 1.00 0.00 C ATOM 1707 C VAL B 3 92.987 -10.810 8.184 1.00 0.00 C ATOM 1708 O VAL B 3 92.359 -9.797 8.419 1.00 0.00 O ATOM 1709 CB VAL B 3 91.757 -12.266 6.545 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.565 -11.335 6.367 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.863 -11.877 5.558 1.00 0.00 C ATOM 0 H VAL B 3 90.756 -11.313 9.207 1.00 0.00 H new ATOM 0 HA VAL B 3 92.975 -12.967 8.158 1.00 0.00 H new ATOM 0 HB VAL B 3 91.453 -13.295 6.352 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.191 -11.414 5.346 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.777 -11.616 7.066 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.873 -10.308 6.561 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.487 -11.962 4.538 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.173 -10.849 5.746 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.716 -12.543 5.687 1.00 0.00 H new ATOM 1745 N SER B 5 96.745 -8.252 7.127 1.00 0.00 N ATOM 1746 CA SER B 5 97.554 -7.857 5.928 1.00 0.00 C ATOM 1747 C SER B 5 99.047 -7.891 6.313 1.00 0.00 C ATOM 1748 O SER B 5 99.366 -7.850 7.484 1.00 0.00 O ATOM 1749 CB SER B 5 97.147 -6.434 5.500 1.00 0.00 C ATOM 1750 OG SER B 5 98.214 -5.528 5.756 1.00 0.00 O ATOM 0 HA SER B 5 97.377 -8.543 5.099 1.00 0.00 H new ATOM 0 HB2 SER B 5 96.894 -6.422 4.440 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.255 -6.122 6.044 1.00 0.00 H new ATOM 0 HG SER B 5 98.368 -5.469 6.722 1.00 0.00 H new ATOM 1756 N PRO B 6 99.926 -7.964 5.332 1.00 0.00 N ATOM 1757 CA PRO B 6 101.378 -7.999 5.603 1.00 0.00 C ATOM 1758 C PRO B 6 101.826 -6.668 6.230 1.00 0.00 C ATOM 1759 O PRO B 6 102.914 -6.557 6.758 1.00 0.00 O ATOM 1760 CB PRO B 6 102.030 -8.205 4.215 1.00 0.00 C ATOM 1761 CG PRO B 6 100.915 -8.005 3.151 1.00 0.00 C ATOM 1762 CD PRO B 6 99.564 -8.017 3.897 1.00 0.00 C ATOM 0 HA PRO B 6 101.659 -8.786 6.303 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.841 -7.493 4.061 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.462 -9.203 4.137 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.053 -7.062 2.621 1.00 0.00 H new ATOM 0 HG3 PRO B 6 100.949 -8.798 2.404 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.947 -7.165 3.613 1.00 0.00 H new ATOM 0 HD3 PRO B 6 98.992 -8.916 3.666 1.00 0.00 H new ATOM 1770 N LEU B 7 100.995 -5.659 6.162 1.00 0.00 N ATOM 1771 CA LEU B 7 101.363 -4.332 6.737 1.00 0.00 C ATOM 1772 C LEU B 7 102.031 -4.511 8.106 1.00 0.00 C ATOM 1773 O LEU B 7 103.040 -3.899 8.396 1.00 0.00 O ATOM 1774 CB LEU B 7 100.098 -3.482 6.894 1.00 0.00 C ATOM 1775 CG LEU B 7 99.593 -3.021 5.514 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.156 -2.507 5.649 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.490 -1.897 4.953 1.00 0.00 C ATOM 0 H LEU B 7 100.072 -5.699 5.730 1.00 0.00 H new ATOM 0 HA LEU B 7 102.064 -3.835 6.066 1.00 0.00 H new ATOM 0 HB2 LEU B 7 99.323 -4.059 7.399 1.00 0.00 H new ATOM 0 HB3 LEU B 7 100.309 -2.615 7.521 1.00 0.00 H new ATOM 0 HG LEU B 7 99.625 -3.867 4.827 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.794 -2.179 4.675 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.517 -3.307 6.023 1.00 0.00 H new ATOM 0 HD13 LEU B 7 98.133 -1.669 6.345 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.116 -1.586 3.978 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.477 -1.047 5.635 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.511 -2.264 4.850 1.00 0.00 H new