USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.83! C(o=-4.8!,f=-3.8!) USER MOD Single : A 22 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 52 THR OG1 : rot -54:sc= -0.499 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.143 USER MOD Single : A 66 SER OG : rot -88:sc=0.000506 USER MOD Single : A 69 TYR OH : rot -46:sc= 0.804 USER MOD Single : A 73 THR OG1 : rot 23:sc= 0.283! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 82 THR OG1 : rot 104:sc= 0.457 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.000611 X(o=-0.00061,f=-0.12) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.211 4.516 2.130 1.00 0.00 N ATOM 98 CA VAL A 10 11.505 3.260 1.906 1.00 0.00 C ATOM 99 C VAL A 10 11.357 2.473 3.203 1.00 0.00 C ATOM 100 O VAL A 10 12.232 1.689 3.569 1.00 0.00 O ATOM 101 CB VAL A 10 12.233 2.384 0.868 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.458 1.100 0.615 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.442 3.155 -0.426 1.00 0.00 C ATOM 0 HA VAL A 10 10.516 3.517 1.525 1.00 0.00 H new ATOM 0 HB VAL A 10 13.212 2.116 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.987 0.494 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.366 0.541 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.465 1.343 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.957 2.521 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.475 3.455 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.043 4.042 -0.228 1.00 0.00 H new ATOM 113 N GLU A 11 10.242 2.689 3.895 1.00 0.00 N ATOM 114 CA GLU A 11 9.980 2.000 5.153 1.00 0.00 C ATOM 115 C GLU A 11 9.855 0.495 4.933 1.00 0.00 C ATOM 116 O GLU A 11 8.864 0.017 4.382 1.00 0.00 O ATOM 117 CB GLU A 11 8.701 2.539 5.799 1.00 0.00 C ATOM 118 CG GLU A 11 8.690 2.426 7.314 1.00 0.00 C ATOM 119 CD GLU A 11 7.792 3.458 7.969 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.723 3.762 7.400 1.00 0.00 O ATOM 121 OE2 GLU A 11 8.159 3.961 9.052 1.00 0.00 O ATOM 0 H GLU A 11 9.507 3.335 3.606 1.00 0.00 H new ATOM 0 HA GLU A 11 10.822 2.184 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.576 3.585 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.845 1.998 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.357 1.428 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.706 2.542 7.691 1.00 0.00 H new ATOM 128 N SER A 12 10.869 -0.246 5.368 1.00 0.00 N ATOM 129 CA SER A 12 10.877 -1.697 5.215 1.00 0.00 C ATOM 130 C SER A 12 9.978 -2.357 6.257 1.00 0.00 C ATOM 131 O SER A 12 9.881 -1.894 7.393 1.00 0.00 O ATOM 132 CB SER A 12 12.303 -2.237 5.339 1.00 0.00 C ATOM 133 OG SER A 12 12.302 -3.581 5.787 1.00 0.00 O ATOM 0 H SER A 12 11.696 0.134 5.829 1.00 0.00 H new ATOM 0 HA SER A 12 10.492 -1.936 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.805 -2.173 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.870 -1.619 6.035 1.00 0.00 H new ATOM 0 HG SER A 12 13.225 -3.903 5.857 1.00 0.00 H new ATOM 139 N PHE A 13 9.322 -3.443 5.860 1.00 0.00 N ATOM 140 CA PHE A 13 8.430 -4.167 6.758 1.00 0.00 C ATOM 141 C PHE A 13 8.620 -5.675 6.613 1.00 0.00 C ATOM 142 O PHE A 13 9.330 -6.140 5.720 1.00 0.00 O ATOM 143 CB PHE A 13 6.974 -3.796 6.473 1.00 0.00 C ATOM 144 CG PHE A 13 6.526 -2.545 7.174 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.774 -1.299 6.621 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.857 -2.616 8.385 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.364 -0.147 7.265 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.444 -1.467 9.033 1.00 0.00 C ATOM 149 CZ PHE A 13 5.697 -0.231 8.471 1.00 0.00 C ATOM 0 H PHE A 13 9.391 -3.840 4.923 1.00 0.00 H new ATOM 0 HA PHE A 13 8.676 -3.883 7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.844 -3.667 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.331 -4.623 6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.293 -1.227 5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.656 -3.580 8.828 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.565 0.819 6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.924 -1.536 9.977 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.374 0.668 8.974 1.00 0.00 H new ATOM 159 N LEU A 14 7.982 -6.433 7.497 1.00 0.00 N ATOM 160 CA LEU A 14 8.080 -7.888 7.470 1.00 0.00 C ATOM 161 C LEU A 14 6.919 -8.527 8.226 1.00 0.00 C ATOM 162 O LEU A 14 6.645 -8.177 9.374 1.00 0.00 O ATOM 163 CB LEU A 14 9.409 -8.341 8.076 1.00 0.00 C ATOM 164 CG LEU A 14 9.722 -9.834 7.968 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.709 -10.650 8.755 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.745 -10.270 6.511 1.00 0.00 C ATOM 0 H LEU A 14 7.391 -6.064 8.242 1.00 0.00 H new ATOM 0 HA LEU A 14 8.033 -8.211 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.213 -7.786 7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.418 -8.064 9.130 1.00 0.00 H new ATOM 0 HG LEU A 14 10.709 -10.010 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.948 -11.710 8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.742 -10.357 9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.710 -10.469 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.969 -11.335 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.772 -10.079 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.510 -9.709 5.975 1.00 0.00 H new ATOM 178 N VAL A 15 6.241 -9.466 7.574 1.00 0.00 N ATOM 179 CA VAL A 15 5.111 -10.156 8.186 1.00 0.00 C ATOM 180 C VAL A 15 4.977 -11.576 7.646 1.00 0.00 C ATOM 181 O VAL A 15 5.815 -12.039 6.872 1.00 0.00 O ATOM 182 CB VAL A 15 3.792 -9.399 7.942 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.843 -8.018 8.578 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.503 -9.299 6.452 1.00 0.00 C ATOM 0 H VAL A 15 6.454 -9.766 6.623 1.00 0.00 H new ATOM 0 HA VAL A 15 5.306 -10.194 9.258 1.00 0.00 H new ATOM 0 HB VAL A 15 2.981 -9.958 8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.903 -7.498 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.000 -8.118 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.663 -7.447 8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.567 -8.761 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.315 -8.764 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.420 -10.300 6.030 1.00 0.00 H new ATOM 194 N HIS A 16 3.917 -12.262 8.060 1.00 0.00 N ATOM 195 CA HIS A 16 3.671 -13.630 7.617 1.00 0.00 C ATOM 196 C HIS A 16 2.230 -13.799 7.146 1.00 0.00 C ATOM 197 O HIS A 16 1.385 -12.922 7.330 1.00 0.00 O ATOM 198 CB HIS A 16 3.970 -14.616 8.747 1.00 0.00 C ATOM 199 CG HIS A 16 2.745 -15.262 9.317 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.555 -14.732 9.686 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.656 -16.614 9.571 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.776 -15.764 10.149 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.464 -16.889 10.069 1.00 0.00 N flip ATOM 0 H HIS A 16 3.215 -11.894 8.701 1.00 0.00 H new ATOM 0 HA HIS A 16 4.335 -13.838 6.778 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.640 -15.391 8.374 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.499 -14.093 9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.439 -17.336 9.391 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.235 -15.671 10.518 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.131 -17.813 10.345 1.00 0.00 H new ATOM 212 N PRO A 17 1.941 -14.951 6.524 1.00 0.00 N ATOM 213 CA PRO A 17 0.602 -15.261 6.015 1.00 0.00 C ATOM 214 C PRO A 17 -0.404 -15.500 7.135 1.00 0.00 C ATOM 215 O PRO A 17 -0.514 -16.608 7.658 1.00 0.00 O ATOM 216 CB PRO A 17 0.818 -16.544 5.207 1.00 0.00 C ATOM 217 CG PRO A 17 2.023 -17.175 5.814 1.00 0.00 C ATOM 218 CD PRO A 17 2.899 -16.041 6.271 1.00 0.00 C ATOM 0 HA PRO A 17 0.187 -14.438 5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.048 -17.203 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.975 -16.325 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.748 -17.817 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.542 -17.802 5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.458 -16.302 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.629 -15.766 5.510 1.00 0.00 H new ATOM 226 N GLY A 18 -1.138 -14.453 7.499 1.00 0.00 N ATOM 227 CA GLY A 18 -2.126 -14.570 8.556 1.00 0.00 C ATOM 228 C GLY A 18 -2.041 -13.436 9.558 1.00 0.00 C ATOM 229 O GLY A 18 -2.892 -13.311 10.438 1.00 0.00 O ATOM 0 H GLY A 18 -1.066 -13.525 7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.123 -14.588 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.989 -15.519 9.074 1.00 0.00 H new ATOM 233 N ASP A 19 -1.010 -12.609 9.426 1.00 0.00 N ATOM 234 CA ASP A 19 -0.816 -11.480 10.328 1.00 0.00 C ATOM 235 C ASP A 19 -1.592 -10.259 9.845 1.00 0.00 C ATOM 236 O ASP A 19 -2.339 -10.331 8.868 1.00 0.00 O ATOM 237 CB ASP A 19 0.671 -11.141 10.443 1.00 0.00 C ATOM 238 CG ASP A 19 1.381 -11.993 11.476 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.783 -12.987 11.939 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.536 -11.667 11.822 1.00 0.00 O ATOM 0 H ASP A 19 -0.296 -12.699 8.703 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.193 -11.763 11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.148 -11.279 9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.781 -10.089 10.706 1.00 0.00 H new ATOM 245 N LEU A 20 -1.413 -9.138 10.536 1.00 0.00 N ATOM 246 CA LEU A 20 -2.097 -7.901 10.178 1.00 0.00 C ATOM 247 C LEU A 20 -1.118 -6.884 9.601 1.00 0.00 C ATOM 248 O LEU A 20 -0.285 -6.330 10.320 1.00 0.00 O ATOM 249 CB LEU A 20 -2.799 -7.311 11.403 1.00 0.00 C ATOM 250 CG LEU A 20 -3.708 -6.110 11.141 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.835 -6.489 10.193 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.268 -5.570 12.449 1.00 0.00 C ATOM 0 H LEU A 20 -0.800 -9.061 11.347 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.841 -8.134 9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.393 -8.096 11.870 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.038 -7.015 12.125 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.115 -5.326 10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.471 -5.621 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.415 -6.827 9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.428 -7.291 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.913 -4.715 12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.846 -6.349 12.947 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.447 -5.258 13.095 1.00 0.00 H new ATOM 264 N LEU A 21 -1.224 -6.642 8.299 1.00 0.00 N ATOM 265 CA LEU A 21 -0.349 -5.689 7.624 1.00 0.00 C ATOM 266 C LEU A 21 -0.876 -4.265 7.775 1.00 0.00 C ATOM 267 O LEU A 21 -1.835 -3.875 7.110 1.00 0.00 O ATOM 268 CB LEU A 21 -0.223 -6.044 6.142 1.00 0.00 C ATOM 269 CG LEU A 21 0.671 -5.128 5.306 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.109 -5.191 5.797 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.592 -5.503 3.833 1.00 0.00 C ATOM 0 H LEU A 21 -1.907 -7.092 7.690 1.00 0.00 H new ATOM 0 HA LEU A 21 0.635 -5.744 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.160 -7.062 6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.221 -6.044 5.703 1.00 0.00 H new ATOM 0 HG LEU A 21 0.314 -4.104 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.730 -4.532 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.152 -4.872 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.477 -6.214 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.235 -4.840 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.921 -6.534 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.437 -5.404 3.487 1.00 0.00 H new ATOM 283 N GLN A 22 -0.240 -3.494 8.651 1.00 0.00 N ATOM 284 CA GLN A 22 -0.643 -2.113 8.887 1.00 0.00 C ATOM 285 C GLN A 22 0.411 -1.141 8.366 1.00 0.00 C ATOM 286 O GLN A 22 1.596 -1.270 8.675 1.00 0.00 O ATOM 287 CB GLN A 22 -0.879 -1.876 10.379 1.00 0.00 C ATOM 288 CG GLN A 22 -2.277 -2.253 10.841 1.00 0.00 C ATOM 289 CD GLN A 22 -2.735 -1.442 12.038 1.00 0.00 C ATOM 290 OE1 GLN A 22 -2.313 -0.301 12.227 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.604 -2.029 12.853 1.00 0.00 N ATOM 0 H GLN A 22 0.556 -3.802 9.209 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.573 -1.936 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.149 -2.451 10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.702 -0.824 10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.978 -2.108 10.019 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.298 -3.313 11.095 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.927 -2.977 12.657 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.949 -1.532 13.675 1.00 0.00 H new ATOM 300 N LEU A 23 -0.028 -0.169 7.574 1.00 0.00 N ATOM 301 CA LEU A 23 0.878 0.825 7.009 1.00 0.00 C ATOM 302 C LEU A 23 0.464 2.234 7.421 1.00 0.00 C ATOM 303 O LEU A 23 -0.617 2.438 7.973 1.00 0.00 O ATOM 304 CB LEU A 23 0.902 0.713 5.484 1.00 0.00 C ATOM 305 CG LEU A 23 1.478 -0.584 4.915 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.479 -0.546 3.395 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.885 -0.820 5.445 1.00 0.00 C ATOM 0 H LEU A 23 -1.005 -0.048 7.309 1.00 0.00 H new ATOM 0 HA LEU A 23 1.878 0.632 7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.117 0.827 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.479 1.548 5.087 1.00 0.00 H new ATOM 0 HG LEU A 23 0.846 -1.412 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.892 -1.477 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.458 -0.424 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.087 0.291 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.279 -1.747 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.528 0.011 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.857 -0.892 6.532 1.00 0.00 H new ATOM 319 N ARG A 24 1.330 3.204 7.146 1.00 0.00 N ATOM 320 CA ARG A 24 1.055 4.594 7.487 1.00 0.00 C ATOM 321 C ARG A 24 1.679 5.539 6.464 1.00 0.00 C ATOM 322 O ARG A 24 2.810 5.333 6.022 1.00 0.00 O ATOM 323 CB ARG A 24 1.587 4.914 8.885 1.00 0.00 C ATOM 324 CG ARG A 24 0.857 6.059 9.567 1.00 0.00 C ATOM 325 CD ARG A 24 1.294 6.214 11.016 1.00 0.00 C ATOM 326 NE ARG A 24 2.628 6.799 11.126 1.00 0.00 N ATOM 327 CZ ARG A 24 3.306 6.872 12.265 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.779 6.399 13.386 1.00 0.00 N ATOM 329 NH2 ARG A 24 4.515 7.419 12.285 1.00 0.00 N ATOM 0 H ARG A 24 2.229 3.052 6.688 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.025 4.737 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.509 4.022 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.646 5.161 8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.048 6.986 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.218 5.882 9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.578 6.843 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.284 5.239 11.504 1.00 0.00 H new ATOM 0 HE ARG A 24 3.062 7.172 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.850 5.978 13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.302 6.457 14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.924 7.784 11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.035 7.475 13.161 1.00 0.00 H new ATOM 343 N CYS A 25 0.936 6.575 6.092 1.00 0.00 N ATOM 344 CA CYS A 25 1.415 7.552 5.121 1.00 0.00 C ATOM 345 C CYS A 25 1.659 8.904 5.785 1.00 0.00 C ATOM 346 O CYS A 25 0.732 9.535 6.292 1.00 0.00 O ATOM 347 CB CYS A 25 0.406 7.706 3.982 1.00 0.00 C ATOM 348 SG CYS A 25 0.855 8.978 2.758 1.00 0.00 S ATOM 0 H CYS A 25 -0.002 6.760 6.448 1.00 0.00 H new ATOM 0 HA CYS A 25 2.360 7.191 4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.300 6.748 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.568 7.952 4.405 1.00 0.00 H new ATOM 353 N ARG A 26 2.914 9.342 5.777 1.00 0.00 N ATOM 354 CA ARG A 26 3.281 10.618 6.378 1.00 0.00 C ATOM 355 C ARG A 26 2.508 11.766 5.734 1.00 0.00 C ATOM 356 O ARG A 26 2.716 12.089 4.564 1.00 0.00 O ATOM 357 CB ARG A 26 4.785 10.860 6.236 1.00 0.00 C ATOM 358 CG ARG A 26 5.602 10.311 7.395 1.00 0.00 C ATOM 359 CD ARG A 26 7.094 10.481 7.155 1.00 0.00 C ATOM 360 NE ARG A 26 7.581 11.772 7.633 1.00 0.00 N ATOM 361 CZ ARG A 26 7.757 12.061 8.918 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.486 11.155 9.847 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.204 13.259 9.274 1.00 0.00 N ATOM 0 H ARG A 26 3.693 8.832 5.361 1.00 0.00 H new ATOM 0 HA ARG A 26 3.024 10.578 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.132 10.403 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.966 11.932 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.320 10.823 8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.373 9.255 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.636 9.680 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.303 10.387 6.089 1.00 0.00 H new ATOM 0 HE ARG A 26 7.798 12.491 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.142 10.234 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.622 11.379 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.412 13.958 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.339 13.481 10.260 1.00 0.00 H new ATOM 477 N SER A 33 -5.165 15.407 -0.181 1.00 0.00 N ATOM 478 CA SER A 33 -5.629 14.071 -0.534 1.00 0.00 C ATOM 479 C SER A 33 -4.496 13.056 -0.424 1.00 0.00 C ATOM 480 O SER A 33 -3.365 13.406 -0.086 1.00 0.00 O ATOM 481 CB SER A 33 -6.199 14.065 -1.954 1.00 0.00 C ATOM 482 OG SER A 33 -7.218 13.089 -2.090 1.00 0.00 O ATOM 0 HA SER A 33 -6.415 13.789 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.600 15.050 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.401 13.864 -2.669 1.00 0.00 H new ATOM 0 HG SER A 33 -7.567 13.106 -3.005 1.00 0.00 H new ATOM 488 N ILE A 34 -4.808 11.797 -0.713 1.00 0.00 N ATOM 489 CA ILE A 34 -3.816 10.730 -0.648 1.00 0.00 C ATOM 490 C ILE A 34 -4.044 9.700 -1.748 1.00 0.00 C ATOM 491 O ILE A 34 -5.183 9.376 -2.083 1.00 0.00 O ATOM 492 CB ILE A 34 -3.842 10.020 0.719 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.952 11.046 1.849 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.597 9.164 0.894 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.387 10.447 3.168 1.00 0.00 C ATOM 0 H ILE A 34 -5.739 11.491 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.841 11.196 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.716 9.369 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.986 11.534 1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.663 11.820 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.629 8.669 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.558 8.413 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.710 9.796 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.444 11.231 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.367 9.984 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.664 9.693 3.481 1.00 0.00 H new ATOM 507 N ASN A 35 -2.953 9.186 -2.305 1.00 0.00 N ATOM 508 CA ASN A 35 -3.033 8.190 -3.368 1.00 0.00 C ATOM 509 C ASN A 35 -2.196 6.961 -3.026 1.00 0.00 C ATOM 510 O ASN A 35 -0.967 7.026 -2.991 1.00 0.00 O ATOM 511 CB ASN A 35 -2.563 8.789 -4.694 1.00 0.00 C ATOM 512 CG ASN A 35 -3.220 8.131 -5.892 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.382 8.394 -6.199 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.475 7.269 -6.575 1.00 0.00 N ATOM 0 H ASN A 35 -2.002 9.442 -2.038 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.074 7.883 -3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.781 9.857 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.481 8.684 -4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.862 6.795 -7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.516 7.082 -6.284 1.00 0.00 H new ATOM 521 N TRP A 36 -2.869 5.844 -2.776 1.00 0.00 N ATOM 522 CA TRP A 36 -2.186 4.600 -2.438 1.00 0.00 C ATOM 523 C TRP A 36 -1.829 3.816 -3.696 1.00 0.00 C ATOM 524 O TRP A 36 -2.648 3.673 -4.604 1.00 0.00 O ATOM 525 CB TRP A 36 -3.064 3.746 -1.522 1.00 0.00 C ATOM 526 CG TRP A 36 -2.978 4.141 -0.079 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.911 4.834 0.638 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.898 3.868 0.821 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.476 5.008 1.930 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.245 4.424 2.068 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.674 3.206 0.696 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.410 4.339 3.179 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.154 3.123 1.799 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.217 3.685 3.028 1.00 0.00 C ATOM 0 H TRP A 36 -3.886 5.774 -2.801 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.263 4.851 -1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.101 3.821 -1.851 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.773 2.700 -1.623 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.852 5.192 0.247 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.987 5.494 2.667 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.380 2.767 -0.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.694 4.774 4.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.104 2.616 1.713 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.451 3.600 3.872 1.00 0.00 H new ATOM 545 N LEU A 37 -0.602 3.310 -3.743 1.00 0.00 N ATOM 546 CA LEU A 37 -0.136 2.539 -4.891 1.00 0.00 C ATOM 547 C LEU A 37 0.606 1.285 -4.440 1.00 0.00 C ATOM 548 O LEU A 37 1.060 1.197 -3.299 1.00 0.00 O ATOM 549 CB LEU A 37 0.777 3.397 -5.770 1.00 0.00 C ATOM 550 CG LEU A 37 0.127 4.616 -6.424 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.146 5.729 -6.611 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.500 4.235 -7.757 1.00 0.00 C ATOM 0 H LEU A 37 0.088 3.419 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.007 2.235 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.615 3.739 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.190 2.765 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.661 4.980 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.665 6.588 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.548 6.021 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.957 5.377 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.958 5.115 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.270 3.845 -8.423 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.261 3.472 -7.596 1.00 0.00 H new ATOM 564 N ARG A 38 0.725 0.318 -5.344 1.00 0.00 N ATOM 565 CA ARG A 38 1.413 -0.931 -5.039 1.00 0.00 C ATOM 566 C ARG A 38 2.038 -1.529 -6.296 1.00 0.00 C ATOM 567 O ARG A 38 1.333 -1.913 -7.229 1.00 0.00 O ATOM 568 CB ARG A 38 0.440 -1.934 -4.414 1.00 0.00 C ATOM 569 CG ARG A 38 1.107 -3.216 -3.943 1.00 0.00 C ATOM 570 CD ARG A 38 0.260 -3.935 -2.905 1.00 0.00 C ATOM 571 NE ARG A 38 -0.733 -4.811 -3.521 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.423 -5.913 -4.196 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.845 -6.271 -4.340 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.383 -6.659 -4.728 1.00 0.00 N ATOM 0 H ARG A 38 0.354 0.375 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 38 2.209 -0.714 -4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.061 -1.463 -3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.331 -2.182 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.276 -3.874 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.085 -2.985 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.907 -4.522 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.244 -3.201 -2.277 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.718 -4.564 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.586 -5.700 -3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.080 -7.117 -4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.360 -6.387 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.144 -7.505 -5.246 1.00 0.00 H new ATOM 588 N ASP A 39 3.364 -1.602 -6.313 1.00 0.00 N ATOM 589 CA ASP A 39 4.085 -2.153 -7.455 1.00 0.00 C ATOM 590 C ASP A 39 3.830 -1.323 -8.710 1.00 0.00 C ATOM 591 O ASP A 39 3.936 -1.823 -9.829 1.00 0.00 O ATOM 592 CB ASP A 39 3.669 -3.605 -7.696 1.00 0.00 C ATOM 593 CG ASP A 39 4.528 -4.588 -6.925 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.590 -4.985 -7.447 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.137 -4.961 -5.798 1.00 0.00 O ATOM 0 H ASP A 39 3.962 -1.287 -5.549 1.00 0.00 H new ATOM 0 HA ASP A 39 5.151 -2.121 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.626 -3.734 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.735 -3.827 -8.761 1.00 0.00 H new ATOM 600 N GLY A 40 3.492 -0.052 -8.515 1.00 0.00 N ATOM 601 CA GLY A 40 3.226 0.826 -9.639 1.00 0.00 C ATOM 602 C GLY A 40 1.798 0.715 -10.136 1.00 0.00 C ATOM 603 O GLY A 40 1.559 0.588 -11.337 1.00 0.00 O ATOM 0 H GLY A 40 3.398 0.385 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.427 1.857 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.910 0.587 -10.453 1.00 0.00 H new ATOM 607 N VAL A 41 0.846 0.762 -9.210 1.00 0.00 N ATOM 608 CA VAL A 41 -0.566 0.665 -9.560 1.00 0.00 C ATOM 609 C VAL A 41 -1.452 1.076 -8.390 1.00 0.00 C ATOM 610 O VAL A 41 -1.102 0.862 -7.229 1.00 0.00 O ATOM 611 CB VAL A 41 -0.940 -0.764 -9.996 1.00 0.00 C ATOM 612 CG1 VAL A 41 -1.062 -1.677 -8.785 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.232 -0.755 -10.799 1.00 0.00 C ATOM 0 H VAL A 41 1.027 0.867 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.732 1.346 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.145 -1.150 -10.634 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.327 -2.682 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.110 -1.707 -8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.837 -1.297 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.481 -1.773 -11.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.038 -0.349 -10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.104 -0.136 -11.687 1.00 0.00 H new ATOM 623 N GLN A 42 -2.601 1.667 -8.703 1.00 0.00 N ATOM 624 CA GLN A 42 -3.538 2.108 -7.676 1.00 0.00 C ATOM 625 C GLN A 42 -3.915 0.955 -6.752 1.00 0.00 C ATOM 626 O GLN A 42 -4.360 -0.100 -7.207 1.00 0.00 O ATOM 627 CB GLN A 42 -4.795 2.693 -8.320 1.00 0.00 C ATOM 628 CG GLN A 42 -5.818 3.195 -7.313 1.00 0.00 C ATOM 629 CD GLN A 42 -5.613 4.652 -6.950 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.524 4.940 -6.246 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.423 5.511 -7.299 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.905 1.851 -9.659 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.050 2.881 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.508 3.516 -8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.259 1.932 -8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.820 3.064 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.761 2.588 -6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.247 5.246 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.270 6.488 -7.048 1.00 0.00 H new ATOM 640 N LEU A 43 -3.734 1.162 -5.452 1.00 0.00 N ATOM 641 CA LEU A 43 -4.055 0.139 -4.463 1.00 0.00 C ATOM 642 C LEU A 43 -5.564 0.030 -4.262 1.00 0.00 C ATOM 643 O LEU A 43 -6.292 1.011 -4.413 1.00 0.00 O ATOM 644 CB LEU A 43 -3.374 0.458 -3.131 1.00 0.00 C ATOM 645 CG LEU A 43 -3.484 -0.615 -2.047 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.775 -1.888 -2.482 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.910 -0.106 -0.732 1.00 0.00 C ATOM 0 H LEU A 43 -3.367 2.029 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.686 -0.818 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.317 0.646 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.797 1.384 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.539 -0.844 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.864 -2.640 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.231 -2.263 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.721 -1.674 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.997 -0.883 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.860 0.152 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.462 0.778 -0.412 1.00 0.00 H new ATOM 659 N ALA A 44 -6.025 -1.168 -3.918 1.00 0.00 N ATOM 660 CA ALA A 44 -7.445 -1.404 -3.693 1.00 0.00 C ATOM 661 C ALA A 44 -7.681 -2.093 -2.353 1.00 0.00 C ATOM 662 O ALA A 44 -6.814 -2.809 -1.853 1.00 0.00 O ATOM 663 CB ALA A 44 -8.029 -2.234 -4.826 1.00 0.00 C ATOM 0 H ALA A 44 -5.435 -1.990 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.949 -0.438 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.090 -2.402 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.902 -1.703 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.513 -3.193 -4.878 1.00 0.00 H new ATOM 669 N GLU A 45 -8.859 -1.871 -1.778 1.00 0.00 N ATOM 670 CA GLU A 45 -9.206 -2.471 -0.495 1.00 0.00 C ATOM 671 C GLU A 45 -10.097 -3.695 -0.690 1.00 0.00 C ATOM 672 O GLU A 45 -10.768 -3.831 -1.712 1.00 0.00 O ATOM 673 CB GLU A 45 -9.915 -1.448 0.396 1.00 0.00 C ATOM 674 CG GLU A 45 -9.465 -0.017 0.156 1.00 0.00 C ATOM 675 CD GLU A 45 -10.453 1.002 0.690 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.080 0.731 1.735 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.599 2.072 0.061 1.00 0.00 O ATOM 0 H GLU A 45 -9.588 -1.281 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.283 -2.788 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.990 -1.515 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.739 -1.705 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.496 0.139 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.327 0.142 -0.913 1.00 0.00 H new ATOM 684 N SER A 46 -10.096 -4.583 0.299 1.00 0.00 N ATOM 685 CA SER A 46 -10.900 -5.798 0.236 1.00 0.00 C ATOM 686 C SER A 46 -11.233 -6.303 1.636 1.00 0.00 C ATOM 687 O SER A 46 -10.838 -5.703 2.634 1.00 0.00 O ATOM 688 CB SER A 46 -10.159 -6.884 -0.547 1.00 0.00 C ATOM 689 OG SER A 46 -8.930 -7.214 0.076 1.00 0.00 O ATOM 0 H SER A 46 -9.548 -4.484 1.153 1.00 0.00 H new ATOM 0 HA SER A 46 -11.832 -5.561 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.784 -7.774 -0.620 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.974 -6.540 -1.565 1.00 0.00 H new ATOM 0 HG SER A 46 -8.477 -7.911 -0.443 1.00 0.00 H new ATOM 695 N ASN A 47 -11.965 -7.411 1.701 1.00 0.00 N ATOM 696 CA ASN A 47 -12.353 -7.997 2.978 1.00 0.00 C ATOM 697 C ASN A 47 -11.211 -7.911 3.986 1.00 0.00 C ATOM 698 O ASN A 47 -11.437 -7.727 5.182 1.00 0.00 O ATOM 699 CB ASN A 47 -12.771 -9.457 2.787 1.00 0.00 C ATOM 700 CG ASN A 47 -14.250 -9.600 2.486 1.00 0.00 C ATOM 701 OD1 ASN A 47 -15.028 -10.038 3.335 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.646 -9.231 1.274 1.00 0.00 N ATOM 0 H ASN A 47 -12.301 -7.921 0.884 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.200 -7.431 3.366 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.193 -9.894 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.530 -10.022 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.630 -9.305 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.967 -8.874 0.602 1.00 0.00 H new ATOM 709 N ARG A 48 -9.983 -8.046 3.494 1.00 0.00 N ATOM 710 CA ARG A 48 -8.806 -7.984 4.351 1.00 0.00 C ATOM 711 C ARG A 48 -8.174 -6.596 4.308 1.00 0.00 C ATOM 712 O ARG A 48 -8.054 -5.924 5.333 1.00 0.00 O ATOM 713 CB ARG A 48 -7.781 -9.035 3.921 1.00 0.00 C ATOM 714 CG ARG A 48 -8.232 -10.465 4.175 1.00 0.00 C ATOM 715 CD ARG A 48 -7.252 -11.470 3.589 1.00 0.00 C ATOM 716 NE ARG A 48 -7.362 -11.557 2.135 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.758 -12.490 1.407 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.006 -13.410 1.994 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.906 -12.503 0.088 1.00 0.00 N ATOM 0 H ARG A 48 -9.778 -8.199 2.507 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.121 -8.189 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.571 -8.912 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.846 -8.858 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.329 -10.632 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.219 -10.620 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.235 -11.185 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.435 -12.452 4.026 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.934 -10.864 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.890 -13.403 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.544 -14.125 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.484 -11.796 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.442 -13.220 -0.470 1.00 0.00 H new ATOM 733 N THR A 49 -7.771 -6.171 3.114 1.00 0.00 N ATOM 734 CA THR A 49 -7.151 -4.864 2.937 1.00 0.00 C ATOM 735 C THR A 49 -8.137 -3.742 3.242 1.00 0.00 C ATOM 736 O THR A 49 -9.290 -3.782 2.813 1.00 0.00 O ATOM 737 CB THR A 49 -6.615 -4.686 1.504 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.811 -5.813 1.139 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.792 -3.411 1.389 1.00 0.00 C ATOM 0 H THR A 49 -7.863 -6.714 2.255 1.00 0.00 H new ATOM 0 HA THR A 49 -6.318 -4.812 3.638 1.00 0.00 H new ATOM 0 HB THR A 49 -7.466 -4.613 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.475 -5.693 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.424 -3.306 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.415 -2.552 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.947 -3.460 2.076 1.00 0.00 H new ATOM 747 N ARG A 50 -7.676 -2.740 3.984 1.00 0.00 N ATOM 748 CA ARG A 50 -8.518 -1.607 4.346 1.00 0.00 C ATOM 749 C ARG A 50 -7.732 -0.301 4.275 1.00 0.00 C ATOM 750 O ARG A 50 -6.876 -0.034 5.120 1.00 0.00 O ATOM 751 CB ARG A 50 -9.087 -1.796 5.754 1.00 0.00 C ATOM 752 CG ARG A 50 -9.804 -0.568 6.291 1.00 0.00 C ATOM 753 CD ARG A 50 -11.257 -0.531 5.844 1.00 0.00 C ATOM 754 NE ARG A 50 -12.093 0.237 6.762 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.240 0.807 6.410 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.684 0.696 5.166 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.944 1.490 7.303 1.00 0.00 N ATOM 0 H ARG A 50 -6.724 -2.690 4.346 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.341 -1.556 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.780 -2.637 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.275 -2.058 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.757 -0.565 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.294 0.332 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.318 -0.095 4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.640 -1.549 5.771 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.779 0.342 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.145 0.172 4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.565 1.134 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.605 1.578 8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.825 1.927 7.032 1.00 0.00 H new ATOM 771 N ILE A 51 -8.028 0.508 3.264 1.00 0.00 N ATOM 772 CA ILE A 51 -7.349 1.785 3.083 1.00 0.00 C ATOM 773 C ILE A 51 -8.163 2.929 3.679 1.00 0.00 C ATOM 774 O ILE A 51 -9.144 3.382 3.088 1.00 0.00 O ATOM 775 CB ILE A 51 -7.087 2.078 1.594 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.234 0.968 0.976 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.405 3.429 1.432 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.354 0.881 -0.529 1.00 0.00 C ATOM 0 H ILE A 51 -8.734 0.302 2.557 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.394 1.711 3.603 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.043 2.110 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.190 1.134 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.525 0.012 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.226 3.622 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.045 4.211 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.454 3.423 1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.723 0.073 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.391 0.684 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.035 1.823 -0.975 1.00 0.00 H new ATOM 790 N THR A 52 -7.749 3.394 4.853 1.00 0.00 N ATOM 791 CA THR A 52 -8.439 4.486 5.529 1.00 0.00 C ATOM 792 C THR A 52 -7.949 5.839 5.029 1.00 0.00 C ATOM 793 O THR A 52 -8.191 6.869 5.657 1.00 0.00 O ATOM 794 CB THR A 52 -8.243 4.414 7.056 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.848 4.454 7.373 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.861 3.144 7.621 1.00 0.00 C ATOM 0 H THR A 52 -6.939 3.031 5.356 1.00 0.00 H new ATOM 0 HA THR A 52 -9.499 4.380 5.300 1.00 0.00 H new ATOM 0 HB THR A 52 -8.742 5.273 7.505 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.380 3.750 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.710 3.115 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.929 3.131 7.403 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.387 2.275 7.165 1.00 0.00 H new ATOM 804 N GLY A 53 -7.258 5.831 3.893 1.00 0.00 N ATOM 805 CA GLY A 53 -6.745 7.065 3.327 1.00 0.00 C ATOM 806 C GLY A 53 -5.240 7.184 3.464 1.00 0.00 C ATOM 807 O GLY A 53 -4.519 7.190 2.467 1.00 0.00 O ATOM 0 H GLY A 53 -7.044 4.992 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.016 7.118 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.220 7.913 3.821 1.00 0.00 H new ATOM 811 N GLU A 54 -4.766 7.282 4.702 1.00 0.00 N ATOM 812 CA GLU A 54 -3.337 7.404 4.965 1.00 0.00 C ATOM 813 C GLU A 54 -2.809 6.168 5.687 1.00 0.00 C ATOM 814 O GLU A 54 -1.611 6.051 5.941 1.00 0.00 O ATOM 815 CB GLU A 54 -3.055 8.656 5.799 1.00 0.00 C ATOM 816 CG GLU A 54 -3.114 8.414 7.298 1.00 0.00 C ATOM 817 CD GLU A 54 -3.430 9.675 8.080 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.582 10.150 8.001 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.523 10.186 8.770 1.00 0.00 O ATOM 0 H GLU A 54 -5.350 7.279 5.538 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.823 7.491 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.068 9.040 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.777 9.428 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.871 7.659 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.159 8.011 7.635 1.00 0.00 H new ATOM 826 N GLU A 55 -3.712 5.250 6.016 1.00 0.00 N ATOM 827 CA GLU A 55 -3.337 4.024 6.710 1.00 0.00 C ATOM 828 C GLU A 55 -3.963 2.805 6.038 1.00 0.00 C ATOM 829 O GLU A 55 -5.164 2.778 5.769 1.00 0.00 O ATOM 830 CB GLU A 55 -3.770 4.090 8.176 1.00 0.00 C ATOM 831 CG GLU A 55 -2.839 4.916 9.049 1.00 0.00 C ATOM 832 CD GLU A 55 -3.346 5.057 10.471 1.00 0.00 C ATOM 833 OE1 GLU A 55 -3.220 4.086 11.246 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.869 6.140 10.809 1.00 0.00 O ATOM 0 H GLU A 55 -4.708 5.332 5.813 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.252 3.927 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.774 4.510 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.826 3.077 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.853 4.452 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.719 5.906 8.610 1.00 0.00 H new ATOM 841 N VAL A 56 -3.139 1.797 5.769 1.00 0.00 N ATOM 842 CA VAL A 56 -3.610 0.575 5.129 1.00 0.00 C ATOM 843 C VAL A 56 -3.527 -0.612 6.083 1.00 0.00 C ATOM 844 O VAL A 56 -2.472 -0.891 6.651 1.00 0.00 O ATOM 845 CB VAL A 56 -2.797 0.257 3.860 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.194 -1.100 3.298 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.984 1.350 2.820 1.00 0.00 C ATOM 0 H VAL A 56 -2.142 1.803 5.985 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.651 0.743 4.852 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.741 0.218 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.609 -1.308 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.003 -1.872 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.254 -1.093 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.402 1.109 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.039 1.424 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.645 2.302 3.228 1.00 0.00 H new ATOM 857 N GLU A 57 -4.648 -1.306 6.253 1.00 0.00 N ATOM 858 CA GLU A 57 -4.702 -2.463 7.139 1.00 0.00 C ATOM 859 C GLU A 57 -5.236 -3.688 6.403 1.00 0.00 C ATOM 860 O GLU A 57 -6.369 -3.692 5.921 1.00 0.00 O ATOM 861 CB GLU A 57 -5.581 -2.162 8.355 1.00 0.00 C ATOM 862 CG GLU A 57 -5.641 -3.301 9.359 1.00 0.00 C ATOM 863 CD GLU A 57 -6.534 -2.986 10.544 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.345 -1.919 11.164 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.422 -3.809 10.852 1.00 0.00 O ATOM 0 H GLU A 57 -5.530 -1.088 5.789 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.688 -2.677 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.204 -1.269 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.591 -1.935 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.006 -4.200 8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.634 -3.520 9.715 1.00 0.00 H new ATOM 872 N VAL A 58 -4.411 -4.727 6.318 1.00 0.00 N ATOM 873 CA VAL A 58 -4.799 -5.959 5.641 1.00 0.00 C ATOM 874 C VAL A 58 -4.801 -7.139 6.606 1.00 0.00 C ATOM 875 O VAL A 58 -3.755 -7.531 7.124 1.00 0.00 O ATOM 876 CB VAL A 58 -3.856 -6.273 4.465 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.441 -7.372 3.591 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.586 -5.018 3.648 1.00 0.00 C ATOM 0 H VAL A 58 -3.469 -4.740 6.710 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.808 -5.806 5.257 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.907 -6.628 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.761 -7.581 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.578 -8.275 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.404 -7.049 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.918 -5.259 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.526 -4.631 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.121 -4.264 4.283 1.00 0.00 H new ATOM 888 N GLN A 59 -5.982 -7.701 6.842 1.00 0.00 N ATOM 889 CA GLN A 59 -6.119 -8.838 7.746 1.00 0.00 C ATOM 890 C GLN A 59 -5.719 -10.136 7.052 1.00 0.00 C ATOM 891 O GLN A 59 -6.010 -10.336 5.873 1.00 0.00 O ATOM 892 CB GLN A 59 -7.558 -8.940 8.255 1.00 0.00 C ATOM 893 CG GLN A 59 -8.011 -7.725 9.048 1.00 0.00 C ATOM 894 CD GLN A 59 -9.437 -7.851 9.545 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.748 -8.719 10.362 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.314 -6.983 9.054 1.00 0.00 N ATOM 0 H GLN A 59 -6.857 -7.389 6.421 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.452 -8.680 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.226 -9.078 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.651 -9.827 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.345 -7.582 9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.925 -6.836 8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.013 -6.280 8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.289 -7.019 9.352 1.00 0.00 H new ATOM 905 N ASP A 60 -5.050 -11.014 7.792 1.00 0.00 N ATOM 906 CA ASP A 60 -4.610 -12.293 7.248 1.00 0.00 C ATOM 907 C ASP A 60 -3.699 -12.087 6.043 1.00 0.00 C ATOM 908 O ASP A 60 -3.790 -12.812 5.052 1.00 0.00 O ATOM 909 CB ASP A 60 -5.817 -13.145 6.851 1.00 0.00 C ATOM 910 CG ASP A 60 -5.521 -14.631 6.907 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.482 -15.049 6.355 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.328 -15.375 7.502 1.00 0.00 O ATOM 0 H ASP A 60 -4.801 -10.863 8.770 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.046 -12.814 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.652 -12.919 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.130 -12.878 5.842 1.00 0.00 H new ATOM 917 N SER A 61 -2.821 -11.093 6.134 1.00 0.00 N ATOM 918 CA SER A 61 -1.896 -10.788 5.049 1.00 0.00 C ATOM 919 C SER A 61 -1.380 -12.068 4.399 1.00 0.00 C ATOM 920 O SER A 61 -1.425 -13.144 4.996 1.00 0.00 O ATOM 921 CB SER A 61 -0.721 -9.958 5.569 1.00 0.00 C ATOM 922 OG SER A 61 0.155 -10.749 6.353 1.00 0.00 O ATOM 0 H SER A 61 -2.731 -10.485 6.948 1.00 0.00 H new ATOM 0 HA SER A 61 -2.435 -10.211 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.175 -9.529 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.095 -9.125 6.165 1.00 0.00 H new ATOM 0 HG SER A 61 0.898 -10.196 6.672 1.00 0.00 H new ATOM 928 N VAL A 62 -0.889 -11.944 3.170 1.00 0.00 N ATOM 929 CA VAL A 62 -0.362 -13.090 2.438 1.00 0.00 C ATOM 930 C VAL A 62 0.865 -12.703 1.621 1.00 0.00 C ATOM 931 O VAL A 62 1.115 -11.530 1.346 1.00 0.00 O ATOM 932 CB VAL A 62 -1.424 -13.690 1.496 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.209 -14.783 2.204 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.354 -12.602 0.980 1.00 0.00 C ATOM 0 H VAL A 62 -0.845 -11.062 2.660 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.080 -13.837 3.180 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.916 -14.137 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.954 -15.195 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.528 -15.574 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.708 -14.365 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.098 -13.043 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.856 -12.124 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.775 -11.858 0.433 1.00 0.00 H new ATOM 944 N PRO A 63 1.653 -13.714 1.222 1.00 0.00 N ATOM 945 CA PRO A 63 2.868 -13.504 0.429 1.00 0.00 C ATOM 946 C PRO A 63 2.561 -13.052 -0.994 1.00 0.00 C ATOM 947 O PRO A 63 3.465 -12.893 -1.814 1.00 0.00 O ATOM 948 CB PRO A 63 3.528 -14.886 0.421 1.00 0.00 C ATOM 949 CG PRO A 63 2.405 -15.843 0.627 1.00 0.00 C ATOM 950 CD PRO A 63 1.417 -15.138 1.513 1.00 0.00 C ATOM 0 HA PRO A 63 3.497 -12.718 0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.041 -15.074 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.273 -14.974 1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.949 -16.119 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.757 -16.764 1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.392 -15.430 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.586 -15.367 2.565 1.00 0.00 H new ATOM 958 N ALA A 64 1.280 -12.845 -1.281 1.00 0.00 N ATOM 959 CA ALA A 64 0.855 -12.408 -2.605 1.00 0.00 C ATOM 960 C ALA A 64 0.501 -10.925 -2.607 1.00 0.00 C ATOM 961 O ALA A 64 0.557 -10.265 -3.644 1.00 0.00 O ATOM 962 CB ALA A 64 -0.331 -13.236 -3.078 1.00 0.00 C ATOM 0 H ALA A 64 0.519 -12.973 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 64 1.687 -12.557 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.638 -12.899 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.046 -14.287 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.160 -13.116 -2.380 1.00 0.00 H new ATOM 968 N ASP A 65 0.137 -10.407 -1.439 1.00 0.00 N ATOM 969 CA ASP A 65 -0.225 -9.001 -1.305 1.00 0.00 C ATOM 970 C ASP A 65 1.019 -8.132 -1.143 1.00 0.00 C ATOM 971 O ASP A 65 0.991 -6.934 -1.421 1.00 0.00 O ATOM 972 CB ASP A 65 -1.159 -8.804 -0.110 1.00 0.00 C ATOM 973 CG ASP A 65 -2.424 -9.633 -0.221 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.828 -9.947 -1.359 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.010 -9.965 0.831 1.00 0.00 O ATOM 0 H ASP A 65 0.085 -10.940 -0.571 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.743 -8.697 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.633 -9.070 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.425 -7.750 -0.030 1.00 0.00 H new ATOM 980 N SER A 66 2.108 -8.746 -0.691 1.00 0.00 N ATOM 981 CA SER A 66 3.361 -8.028 -0.488 1.00 0.00 C ATOM 982 C SER A 66 3.746 -7.243 -1.738 1.00 0.00 C ATOM 983 O SER A 66 3.108 -7.364 -2.782 1.00 0.00 O ATOM 984 CB SER A 66 4.479 -9.005 -0.120 1.00 0.00 C ATOM 985 OG SER A 66 4.670 -9.969 -1.140 1.00 0.00 O ATOM 0 H SER A 66 2.148 -9.738 -0.459 1.00 0.00 H new ATOM 0 HA SER A 66 3.219 -7.324 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.406 -8.456 0.044 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.235 -9.506 0.817 1.00 0.00 H new ATOM 0 HG SER A 66 4.072 -10.730 -0.987 1.00 0.00 H new ATOM 991 N GLY A 67 4.797 -6.437 -1.622 1.00 0.00 N ATOM 992 CA GLY A 67 5.251 -5.643 -2.749 1.00 0.00 C ATOM 993 C GLY A 67 5.845 -4.315 -2.322 1.00 0.00 C ATOM 994 O GLY A 67 6.486 -4.222 -1.274 1.00 0.00 O ATOM 0 H GLY A 67 5.342 -6.320 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.996 -6.207 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.414 -5.463 -3.423 1.00 0.00 H new ATOM 998 N LEU A 68 5.633 -3.286 -3.134 1.00 0.00 N ATOM 999 CA LEU A 68 6.153 -1.956 -2.835 1.00 0.00 C ATOM 1000 C LEU A 68 5.033 -0.920 -2.836 1.00 0.00 C ATOM 1001 O LEU A 68 4.595 -0.466 -3.893 1.00 0.00 O ATOM 1002 CB LEU A 68 7.225 -1.565 -3.854 1.00 0.00 C ATOM 1003 CG LEU A 68 7.893 -0.207 -3.639 1.00 0.00 C ATOM 1004 CD1 LEU A 68 7.079 0.898 -4.294 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.072 0.070 -2.153 1.00 0.00 C ATOM 0 H LEU A 68 5.105 -3.346 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 68 6.598 -1.982 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.999 -2.333 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.774 -1.572 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 68 8.878 -0.230 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.570 1.857 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.002 0.708 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.081 0.922 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.549 1.041 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.098 0.073 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.697 -0.706 -1.711 1.00 0.00 H new ATOM 1017 N TYR A 69 4.576 -0.550 -1.645 1.00 0.00 N ATOM 1018 CA TYR A 69 3.508 0.432 -1.507 1.00 0.00 C ATOM 1019 C TYR A 69 4.059 1.853 -1.589 1.00 0.00 C ATOM 1020 O TYR A 69 5.133 2.144 -1.064 1.00 0.00 O ATOM 1021 CB TYR A 69 2.772 0.235 -0.181 1.00 0.00 C ATOM 1022 CG TYR A 69 2.067 -1.099 -0.073 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.785 -2.274 0.113 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.683 -1.183 -0.154 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.146 -3.494 0.212 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.034 -2.399 -0.055 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.770 -3.552 0.127 1.00 0.00 C ATOM 1028 OH TYR A 69 0.129 -4.765 0.227 1.00 0.00 O ATOM 0 H TYR A 69 4.929 -0.916 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 69 2.807 0.285 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.485 0.327 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.041 1.034 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.862 -2.232 0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.104 -0.283 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.720 -4.398 0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.043 -2.447 -0.120 1.00 0.00 H new ATOM 0 HH TYR A 69 0.585 -5.423 -0.338 1.00 0.00 H new ATOM 1038 N ALA A 70 3.315 2.732 -2.251 1.00 0.00 N ATOM 1039 CA ALA A 70 3.726 4.123 -2.400 1.00 0.00 C ATOM 1040 C ALA A 70 2.539 5.067 -2.239 1.00 0.00 C ATOM 1041 O ALA A 70 1.640 5.098 -3.079 1.00 0.00 O ATOM 1042 CB ALA A 70 4.391 4.334 -3.752 1.00 0.00 C ATOM 0 H ALA A 70 2.424 2.506 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 70 4.446 4.350 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.693 5.377 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.269 3.693 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.688 4.084 -4.546 1.00 0.00 H new ATOM 1048 N CYS A 71 2.543 5.834 -1.154 1.00 0.00 N ATOM 1049 CA CYS A 71 1.467 6.778 -0.881 1.00 0.00 C ATOM 1050 C CYS A 71 1.840 8.180 -1.355 1.00 0.00 C ATOM 1051 O CYS A 71 2.896 8.705 -1.003 1.00 0.00 O ATOM 1052 CB CYS A 71 1.148 6.802 0.615 1.00 0.00 C ATOM 1053 SG CYS A 71 2.182 7.952 1.578 1.00 0.00 S ATOM 0 H CYS A 71 3.280 5.820 -0.449 1.00 0.00 H new ATOM 0 HA CYS A 71 0.583 6.451 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.101 7.074 0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.270 5.796 1.018 1.00 0.00 H new ATOM 1058 N VAL A 72 0.964 8.781 -2.154 1.00 0.00 N ATOM 1059 CA VAL A 72 1.200 10.122 -2.676 1.00 0.00 C ATOM 1060 C VAL A 72 0.123 11.092 -2.205 1.00 0.00 C ATOM 1061 O VAL A 72 -1.061 10.913 -2.495 1.00 0.00 O ATOM 1062 CB VAL A 72 1.242 10.127 -4.215 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.720 11.475 -4.733 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.133 9.004 -4.727 1.00 0.00 C ATOM 0 H VAL A 72 0.084 8.360 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 72 2.168 10.444 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 72 0.232 9.959 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.743 11.459 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.039 12.257 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.721 11.677 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.151 9.022 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.145 9.139 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.742 8.045 -4.387 1.00 0.00 H new ATOM 1074 N THR A 73 0.539 12.123 -1.476 1.00 0.00 N ATOM 1075 CA THR A 73 -0.390 13.122 -0.963 1.00 0.00 C ATOM 1076 C THR A 73 -0.337 14.399 -1.795 1.00 0.00 C ATOM 1077 O THR A 73 0.738 14.937 -2.056 1.00 0.00 O ATOM 1078 CB THR A 73 -0.088 13.468 0.507 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.082 14.289 0.587 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.115 12.204 1.329 1.00 0.00 C ATOM 0 H THR A 73 1.514 12.288 -1.227 1.00 0.00 H new ATOM 0 HA THR A 73 -1.388 12.689 -1.028 1.00 0.00 H new ATOM 0 HB THR A 73 -0.941 14.013 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.223 14.742 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.327 12.473 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.789 11.596 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.952 11.636 0.923 1.00 0.00 H new ATOM 1088 N SER A 74 -1.506 14.880 -2.207 1.00 0.00 N ATOM 1089 CA SER A 74 -1.593 16.092 -3.012 1.00 0.00 C ATOM 1090 C SER A 74 -1.687 17.329 -2.123 1.00 0.00 C ATOM 1091 O SER A 74 -2.615 17.465 -1.326 1.00 0.00 O ATOM 1092 CB SER A 74 -2.805 16.027 -3.942 1.00 0.00 C ATOM 1093 OG SER A 74 -2.575 16.759 -5.133 1.00 0.00 O ATOM 0 H SER A 74 -2.406 14.448 -1.996 1.00 0.00 H new ATOM 0 HA SER A 74 -0.686 16.164 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.024 14.988 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.681 16.425 -3.430 1.00 0.00 H new ATOM 0 HG SER A 74 -3.364 16.700 -5.711 1.00 0.00 H new ATOM 1153 N ASP A 80 3.954 14.886 -2.194 1.00 0.00 N ATOM 1154 CA ASP A 80 5.002 14.039 -1.635 1.00 0.00 C ATOM 1155 C ASP A 80 4.758 12.573 -1.979 1.00 0.00 C ATOM 1156 O ASP A 80 3.783 12.236 -2.652 1.00 0.00 O ATOM 1157 CB ASP A 80 5.075 14.215 -0.118 1.00 0.00 C ATOM 1158 CG ASP A 80 6.480 14.027 0.420 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.347 13.545 -0.339 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.713 14.363 1.600 1.00 0.00 O ATOM 0 HA ASP A 80 5.952 14.343 -2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.718 15.210 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.407 13.499 0.360 1.00 0.00 H new ATOM 1165 N THR A 81 5.649 11.704 -1.514 1.00 0.00 N ATOM 1166 CA THR A 81 5.532 10.275 -1.773 1.00 0.00 C ATOM 1167 C THR A 81 6.264 9.462 -0.712 1.00 0.00 C ATOM 1168 O THR A 81 7.400 9.770 -0.351 1.00 0.00 O ATOM 1169 CB THR A 81 6.092 9.909 -3.161 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.571 10.803 -4.151 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.735 8.476 -3.527 1.00 0.00 C ATOM 0 H THR A 81 6.461 11.966 -0.955 1.00 0.00 H new ATOM 0 HA THR A 81 4.469 10.034 -1.742 1.00 0.00 H new ATOM 0 HB THR A 81 7.178 9.999 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.933 10.565 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.141 8.240 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.157 7.796 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.651 8.364 -3.545 1.00 0.00 H new ATOM 1179 N THR A 82 5.606 8.419 -0.215 1.00 0.00 N ATOM 1180 CA THR A 82 6.193 7.560 0.806 1.00 0.00 C ATOM 1181 C THR A 82 6.127 6.094 0.396 1.00 0.00 C ATOM 1182 O THR A 82 5.049 5.562 0.129 1.00 0.00 O ATOM 1183 CB THR A 82 5.485 7.735 2.163 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.139 9.110 2.361 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.375 7.262 3.303 1.00 0.00 C ATOM 0 H THR A 82 4.666 8.149 -0.503 1.00 0.00 H new ATOM 0 HA THR A 82 7.236 7.859 0.908 1.00 0.00 H new ATOM 0 HB THR A 82 4.579 7.130 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.180 9.232 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.854 7.395 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.613 6.207 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.297 7.844 3.311 1.00 0.00 H new ATOM 1193 N TYR A 83 7.285 5.444 0.349 1.00 0.00 N ATOM 1194 CA TYR A 83 7.358 4.038 -0.031 1.00 0.00 C ATOM 1195 C TYR A 83 7.315 3.139 1.201 1.00 0.00 C ATOM 1196 O TYR A 83 7.582 3.583 2.318 1.00 0.00 O ATOM 1197 CB TYR A 83 8.635 3.769 -0.828 1.00 0.00 C ATOM 1198 CG TYR A 83 8.700 4.521 -2.139 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.188 5.821 -2.194 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.274 3.931 -3.322 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.248 6.511 -3.389 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.332 4.613 -4.522 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.819 5.903 -4.550 1.00 0.00 C ATOM 1204 OH TYR A 83 8.879 6.587 -5.742 1.00 0.00 O ATOM 0 H TYR A 83 8.186 5.868 0.569 1.00 0.00 H new ATOM 0 HA TYR A 83 6.494 3.811 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.497 4.041 -0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.710 2.700 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.526 6.300 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.891 2.921 -3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.629 7.521 -3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.998 4.139 -5.433 1.00 0.00 H new ATOM 0 HH TYR A 83 8.540 6.017 -6.464 1.00 0.00 H new ATOM 1214 N PHE A 84 6.978 1.871 0.988 1.00 0.00 N ATOM 1215 CA PHE A 84 6.900 0.907 2.080 1.00 0.00 C ATOM 1216 C PHE A 84 7.132 -0.512 1.570 1.00 0.00 C ATOM 1217 O PHE A 84 6.264 -1.101 0.924 1.00 0.00 O ATOM 1218 CB PHE A 84 5.538 0.997 2.771 1.00 0.00 C ATOM 1219 CG PHE A 84 5.094 2.407 3.040 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.405 3.126 2.076 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.364 3.012 4.257 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.997 4.423 2.321 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.958 4.309 4.507 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.272 5.015 3.539 1.00 0.00 C ATOM 0 H PHE A 84 6.755 1.487 0.070 1.00 0.00 H new ATOM 0 HA PHE A 84 7.682 1.147 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.791 0.502 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.581 0.452 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.185 2.668 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.898 2.464 5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.463 4.974 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.177 4.770 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.951 6.028 3.733 1.00 0.00 H new ATOM 1234 N SER A 85 8.309 -1.055 1.864 1.00 0.00 N ATOM 1235 CA SER A 85 8.657 -2.404 1.432 1.00 0.00 C ATOM 1236 C SER A 85 8.002 -3.448 2.330 1.00 0.00 C ATOM 1237 O SER A 85 8.410 -3.644 3.475 1.00 0.00 O ATOM 1238 CB SER A 85 10.176 -2.588 1.441 1.00 0.00 C ATOM 1239 OG SER A 85 10.525 -3.937 1.700 1.00 0.00 O ATOM 0 H SER A 85 9.037 -0.582 2.399 1.00 0.00 H new ATOM 0 HA SER A 85 8.287 -2.541 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.588 -2.281 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.619 -1.942 2.199 1.00 0.00 H new ATOM 0 HG SER A 85 11.501 -4.028 1.699 1.00 0.00 H new ATOM 1245 N VAL A 86 6.982 -4.117 1.802 1.00 0.00 N ATOM 1246 CA VAL A 86 6.269 -5.143 2.554 1.00 0.00 C ATOM 1247 C VAL A 86 6.692 -6.540 2.115 1.00 0.00 C ATOM 1248 O VAL A 86 6.906 -6.791 0.930 1.00 0.00 O ATOM 1249 CB VAL A 86 4.744 -5.004 2.387 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.024 -6.151 3.079 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.270 -3.663 2.927 1.00 0.00 C ATOM 0 H VAL A 86 6.631 -3.967 0.856 1.00 0.00 H new ATOM 0 HA VAL A 86 6.526 -5.002 3.604 1.00 0.00 H new ATOM 0 HB VAL A 86 4.507 -5.047 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.948 -6.036 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.342 -7.097 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.265 -6.143 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.190 -3.581 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.519 -3.589 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.761 -2.857 2.382 1.00 0.00 H new ATOM 1261 N ASN A 87 6.810 -7.447 3.079 1.00 0.00 N ATOM 1262 CA ASN A 87 7.208 -8.821 2.791 1.00 0.00 C ATOM 1263 C ASN A 87 6.465 -9.802 3.693 1.00 0.00 C ATOM 1264 O ASN A 87 6.769 -9.924 4.880 1.00 0.00 O ATOM 1265 CB ASN A 87 8.718 -8.985 2.975 1.00 0.00 C ATOM 1266 CG ASN A 87 9.305 -10.022 2.036 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.146 -9.934 0.819 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.987 -11.012 2.601 1.00 0.00 N ATOM 0 H ASN A 87 6.636 -7.256 4.066 1.00 0.00 H new ATOM 0 HA ASN A 87 6.949 -9.039 1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.208 -8.026 2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.927 -9.272 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.404 -11.740 2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.093 -11.044 3.615 1.00 0.00 H new ATOM 1275 N VAL A 88 5.490 -10.502 3.120 1.00 0.00 N ATOM 1276 CA VAL A 88 4.705 -11.474 3.871 1.00 0.00 C ATOM 1277 C VAL A 88 5.184 -12.895 3.599 1.00 0.00 C ATOM 1278 O VAL A 88 5.146 -13.368 2.463 1.00 0.00 O ATOM 1279 CB VAL A 88 3.208 -11.374 3.524 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.392 -12.309 4.403 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.724 -9.939 3.664 1.00 0.00 C ATOM 0 H VAL A 88 5.226 -10.414 2.139 1.00 0.00 H new ATOM 0 HA VAL A 88 4.842 -11.243 4.927 1.00 0.00 H new ATOM 0 HB VAL A 88 3.072 -11.680 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.337 -12.224 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.723 -13.336 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.531 -12.038 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.664 -9.887 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.873 -9.603 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.288 -9.297 2.987 1.00 0.00 H new ATOM 1291 N SER A 89 5.636 -13.573 4.650 1.00 0.00 N ATOM 1292 CA SER A 89 6.126 -14.941 4.524 1.00 0.00 C ATOM 1293 C SER A 89 6.175 -15.628 5.885 1.00 0.00 C ATOM 1294 O SER A 89 6.567 -15.024 6.884 1.00 0.00 O ATOM 1295 CB SER A 89 7.516 -14.949 3.885 1.00 0.00 C ATOM 1296 OG SER A 89 7.828 -16.228 3.360 1.00 0.00 O ATOM 0 H SER A 89 5.673 -13.197 5.598 1.00 0.00 H new ATOM 0 HA SER A 89 5.436 -15.491 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.558 -14.205 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.262 -14.665 4.627 1.00 0.00 H new ATOM 0 HG SER A 89 8.720 -16.207 2.956 1.00 0.00 H new ATOM 1302 N ASP A 90 5.774 -16.893 5.917 1.00 0.00 N ATOM 1303 CA ASP A 90 5.772 -17.665 7.154 1.00 0.00 C ATOM 1304 C ASP A 90 7.136 -17.603 7.835 1.00 0.00 C ATOM 1305 O ASP A 90 7.241 -17.754 9.051 1.00 0.00 O ATOM 1306 CB ASP A 90 5.393 -19.120 6.873 1.00 0.00 C ATOM 1307 CG ASP A 90 6.030 -20.084 7.855 1.00 0.00 C ATOM 1308 OD1 ASP A 90 7.249 -20.328 7.741 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.309 -20.593 8.738 1.00 0.00 O ATOM 0 H ASP A 90 5.446 -17.407 5.099 1.00 0.00 H new ATOM 0 HA ASP A 90 5.031 -17.229 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.309 -19.225 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.698 -19.383 5.860 1.00 0.00 H new