USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot -29:sc= 0.332 USER MOD Set 1.2: A 81 THR OG1 : rot 48:sc= 1.16 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 33 ASN : amide:sc=-0.00614 K(o=-0.0061,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00261) USER MOD Single : A 62 SER OG : rot 180:sc= 0.53 USER MOD Single : A 65 HIS : no HE2:sc= -4.47! C(o=-4.5!,f=-4.4!) USER MOD Single : A 68 SER OG : rot 120:sc= -1.12 USER MOD Single : A 71 SER OG : rot 20:sc= -5.16! USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.841 -8.495 -2.396 1.00 0.00 N ATOM 64 CA HIS A 3 2.776 -8.196 -3.384 1.00 0.00 C ATOM 65 C HIS A 3 2.689 -6.675 -3.488 1.00 0.00 C ATOM 66 O HIS A 3 1.724 -6.119 -3.973 1.00 0.00 O ATOM 67 CB HIS A 3 1.440 -8.764 -2.898 1.00 0.00 C ATOM 68 CG HIS A 3 1.533 -10.263 -2.811 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.917 -10.914 -1.647 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.296 -11.252 -3.734 1.00 0.00 C ATOM 71 CE1 HIS A 3 1.899 -12.236 -1.897 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.528 -12.493 -3.153 1.00 0.00 N ATOM 0 HA HIS A 3 3.000 -8.644 -4.352 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.189 -8.348 -1.922 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.641 -8.478 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.978 -11.090 -4.754 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.153 -12.995 -1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.434 -13.408 -3.594 1.00 0.00 H new ATOM 81 N ALA A 4 3.706 -6.006 -3.006 1.00 0.00 N ATOM 82 CA ALA A 4 3.723 -4.519 -3.033 1.00 0.00 C ATOM 83 C ALA A 4 3.429 -4.020 -4.449 1.00 0.00 C ATOM 84 O ALA A 4 2.730 -3.044 -4.641 1.00 0.00 O ATOM 85 CB ALA A 4 5.106 -4.025 -2.604 1.00 0.00 C ATOM 0 H ALA A 4 4.533 -6.436 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 4 2.962 -4.138 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.125 -2.935 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.320 -4.375 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.860 -4.412 -3.290 1.00 0.00 H new ATOM 91 N SER A 5 3.960 -4.679 -5.443 1.00 0.00 N ATOM 92 CA SER A 5 3.714 -4.237 -6.845 1.00 0.00 C ATOM 93 C SER A 5 2.213 -4.268 -7.141 1.00 0.00 C ATOM 94 O SER A 5 1.688 -3.414 -7.827 1.00 0.00 O ATOM 95 CB SER A 5 4.442 -5.175 -7.808 1.00 0.00 C ATOM 96 OG SER A 5 5.820 -5.229 -7.460 1.00 0.00 O ATOM 0 H SER A 5 4.553 -5.503 -5.345 1.00 0.00 H new ATOM 0 HA SER A 5 4.085 -3.220 -6.973 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.004 -6.172 -7.763 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.328 -4.823 -8.833 1.00 0.00 H new ATOM 0 HG SER A 5 6.289 -5.831 -8.075 1.00 0.00 H new ATOM 102 N VAL A 6 1.519 -5.245 -6.629 1.00 0.00 N ATOM 103 CA VAL A 6 0.053 -5.327 -6.882 1.00 0.00 C ATOM 104 C VAL A 6 -0.637 -4.101 -6.289 1.00 0.00 C ATOM 105 O VAL A 6 -1.507 -3.505 -6.896 1.00 0.00 O ATOM 106 CB VAL A 6 -0.504 -6.591 -6.232 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.031 -6.551 -6.266 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.009 -7.819 -6.998 1.00 0.00 C ATOM 0 H VAL A 6 1.902 -5.990 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.129 -5.360 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.165 -6.647 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.429 -7.453 -5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.384 -5.676 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.371 -6.495 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.406 -8.722 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.348 -7.763 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.080 -7.848 -6.974 1.00 0.00 H new ATOM 118 N ILE A 7 -0.252 -3.717 -5.106 1.00 0.00 N ATOM 119 CA ILE A 7 -0.876 -2.529 -4.465 1.00 0.00 C ATOM 120 C ILE A 7 -0.655 -1.306 -5.350 1.00 0.00 C ATOM 121 O ILE A 7 -1.533 -0.487 -5.532 1.00 0.00 O ATOM 122 CB ILE A 7 -0.216 -2.290 -3.110 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.384 -3.538 -2.240 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.877 -1.094 -2.422 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.462 -3.401 -0.973 1.00 0.00 C ATOM 0 H ILE A 7 0.471 -4.177 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.944 -2.700 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 7 0.845 -2.083 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.433 -3.670 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.081 -4.425 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.405 -0.924 -1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.760 -0.206 -3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.938 -1.298 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.340 -4.291 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.511 -3.290 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.138 -2.524 -0.412 1.00 0.00 H new ATOM 137 N ALA A 8 0.520 -1.176 -5.900 1.00 0.00 N ATOM 138 CA ALA A 8 0.808 -0.006 -6.771 1.00 0.00 C ATOM 139 C ALA A 8 -0.120 -0.032 -7.987 1.00 0.00 C ATOM 140 O ALA A 8 -0.594 0.993 -8.436 1.00 0.00 O ATOM 141 CB ALA A 8 2.265 -0.068 -7.231 1.00 0.00 C ATOM 0 H ALA A 8 1.293 -1.831 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 8 0.641 0.916 -6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.481 0.788 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.922 -0.047 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.431 -0.989 -7.789 1.00 0.00 H new ATOM 147 N GLN A 9 -0.387 -1.192 -8.526 1.00 0.00 N ATOM 148 CA GLN A 9 -1.288 -1.262 -9.711 1.00 0.00 C ATOM 149 C GLN A 9 -2.673 -0.738 -9.332 1.00 0.00 C ATOM 150 O GLN A 9 -3.291 -0.002 -10.074 1.00 0.00 O ATOM 151 CB GLN A 9 -1.404 -2.712 -10.185 1.00 0.00 C ATOM 152 CG GLN A 9 -0.044 -3.194 -10.690 1.00 0.00 C ATOM 153 CD GLN A 9 -0.184 -4.604 -11.263 1.00 0.00 C ATOM 154 OE1 GLN A 9 0.114 -5.630 -10.516 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -0.570 -4.774 -12.403 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.023 -2.087 -8.199 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.875 -0.651 -10.514 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.746 -3.347 -9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.146 -2.788 -10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.333 -2.515 -11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.680 -3.191 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.803 -3.971 -12.988 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.661 -5.719 -12.775 1.00 0.00 H new ATOM 164 N PHE A 10 -3.160 -1.099 -8.178 1.00 0.00 N ATOM 165 CA PHE A 10 -4.504 -0.602 -7.758 1.00 0.00 C ATOM 166 C PHE A 10 -4.472 0.922 -7.654 1.00 0.00 C ATOM 167 O PHE A 10 -5.389 1.604 -8.067 1.00 0.00 O ATOM 168 CB PHE A 10 -4.878 -1.194 -6.398 1.00 0.00 C ATOM 169 CG PHE A 10 -5.425 -2.590 -6.579 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.745 -2.768 -7.011 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.621 -3.702 -6.309 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.261 -4.060 -7.172 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.137 -4.994 -6.472 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.457 -5.172 -6.903 1.00 0.00 C ATOM 0 H PHE A 10 -2.692 -1.712 -7.511 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.245 -0.906 -8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.003 -1.218 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.620 -0.564 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.365 -1.909 -7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.603 -3.565 -5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.280 -4.197 -7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.516 -5.853 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.854 -6.168 -7.028 1.00 0.00 H new ATOM 184 N VAL A 11 -3.421 1.460 -7.105 1.00 0.00 N ATOM 185 CA VAL A 11 -3.323 2.940 -6.971 1.00 0.00 C ATOM 186 C VAL A 11 -3.355 3.582 -8.357 1.00 0.00 C ATOM 187 O VAL A 11 -4.043 4.557 -8.588 1.00 0.00 O ATOM 188 CB VAL A 11 -2.004 3.294 -6.287 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.748 4.794 -6.421 1.00 0.00 C ATOM 190 CG2 VAL A 11 -2.082 2.916 -4.808 1.00 0.00 C ATOM 0 H VAL A 11 -2.623 0.938 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.161 3.309 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.189 2.745 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.807 5.047 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.693 5.061 -7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.561 5.345 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.141 3.168 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.896 3.465 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.264 1.845 -4.715 1.00 0.00 H new ATOM 200 N VAL A 12 -2.610 3.043 -9.277 1.00 0.00 N ATOM 201 CA VAL A 12 -2.584 3.613 -10.650 1.00 0.00 C ATOM 202 C VAL A 12 -3.972 3.499 -11.283 1.00 0.00 C ATOM 203 O VAL A 12 -4.482 4.435 -11.863 1.00 0.00 O ATOM 204 CB VAL A 12 -1.571 2.827 -11.482 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.588 3.310 -12.933 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.171 3.028 -10.900 1.00 0.00 C ATOM 0 H VAL A 12 -2.014 2.227 -9.137 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.300 4.665 -10.612 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.836 1.770 -11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.862 2.742 -13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.583 3.164 -13.353 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.331 4.369 -12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.553 2.468 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.084 4.088 -10.922 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.151 2.672 -9.870 1.00 0.00 H new ATOM 216 N GLU A 13 -4.580 2.352 -11.180 1.00 0.00 N ATOM 217 CA GLU A 13 -5.927 2.159 -11.779 1.00 0.00 C ATOM 218 C GLU A 13 -6.985 2.889 -10.950 1.00 0.00 C ATOM 219 O GLU A 13 -8.098 3.097 -11.392 1.00 0.00 O ATOM 220 CB GLU A 13 -6.242 0.668 -11.808 1.00 0.00 C ATOM 221 CG GLU A 13 -5.188 -0.051 -12.643 1.00 0.00 C ATOM 222 CD GLU A 13 -5.553 -1.531 -12.768 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.472 -1.954 -12.086 1.00 0.00 O ATOM 224 OE2 GLU A 13 -4.907 -2.217 -13.543 1.00 0.00 O ATOM 0 H GLU A 13 -4.199 1.535 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.935 2.565 -12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.256 0.267 -10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.233 0.502 -12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.122 0.402 -13.632 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.208 0.054 -12.178 1.00 0.00 H new ATOM 231 N GLU A 14 -6.659 3.257 -9.744 1.00 0.00 N ATOM 232 CA GLU A 14 -7.658 3.948 -8.881 1.00 0.00 C ATOM 233 C GLU A 14 -8.052 5.293 -9.497 1.00 0.00 C ATOM 234 O GLU A 14 -9.168 5.747 -9.342 1.00 0.00 O ATOM 235 CB GLU A 14 -7.057 4.182 -7.493 1.00 0.00 C ATOM 236 CG GLU A 14 -8.137 4.727 -6.555 1.00 0.00 C ATOM 237 CD GLU A 14 -7.512 5.067 -5.200 1.00 0.00 C ATOM 238 OE1 GLU A 14 -6.312 4.894 -5.063 1.00 0.00 O ATOM 239 OE2 GLU A 14 -8.244 5.496 -4.323 1.00 0.00 O ATOM 0 H GLU A 14 -5.744 3.110 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.547 3.322 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.654 3.250 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.228 4.886 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.596 5.615 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.929 3.989 -6.427 1.00 0.00 H new ATOM 246 N PHE A 15 -7.156 5.942 -10.190 1.00 0.00 N ATOM 247 CA PHE A 15 -7.513 7.257 -10.796 1.00 0.00 C ATOM 248 C PHE A 15 -6.691 7.502 -12.064 1.00 0.00 C ATOM 249 O PHE A 15 -7.127 8.190 -12.966 1.00 0.00 O ATOM 250 CB PHE A 15 -7.236 8.372 -9.784 1.00 0.00 C ATOM 251 CG PHE A 15 -7.765 9.682 -10.318 1.00 0.00 C ATOM 252 CD1 PHE A 15 -9.128 9.982 -10.209 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.894 10.594 -10.923 1.00 0.00 C ATOM 254 CE1 PHE A 15 -9.620 11.195 -10.705 1.00 0.00 C ATOM 255 CE2 PHE A 15 -7.386 11.808 -11.420 1.00 0.00 C ATOM 256 CZ PHE A 15 -8.749 12.108 -11.311 1.00 0.00 C ATOM 0 H PHE A 15 -6.202 5.623 -10.362 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.570 7.250 -11.060 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.710 8.138 -8.831 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.165 8.450 -9.597 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.800 9.277 -9.742 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.842 10.362 -11.007 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.671 11.426 -10.620 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.714 12.512 -11.887 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.128 13.044 -11.694 1.00 0.00 H new ATOM 266 N LEU A 16 -5.504 6.958 -12.139 1.00 0.00 N ATOM 267 CA LEU A 16 -4.656 7.176 -13.347 1.00 0.00 C ATOM 268 C LEU A 16 -4.300 5.832 -13.989 1.00 0.00 C ATOM 269 O LEU A 16 -3.216 5.321 -13.799 1.00 0.00 O ATOM 270 CB LEU A 16 -3.369 7.876 -12.924 1.00 0.00 C ATOM 271 CG LEU A 16 -3.539 9.386 -13.078 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.477 10.110 -12.246 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.383 9.770 -14.551 1.00 0.00 C ATOM 0 H LEU A 16 -5.086 6.373 -11.416 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.204 7.785 -14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.131 7.629 -11.889 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.535 7.529 -13.534 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.531 9.676 -12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.600 11.187 -12.357 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.589 9.838 -11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.485 9.820 -12.591 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.504 10.848 -14.661 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.392 9.479 -14.900 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.141 9.257 -15.143 1.00 0.00 H new ATOM 285 N PRO A 17 -5.200 5.266 -14.750 1.00 0.00 N ATOM 286 CA PRO A 17 -4.966 3.963 -15.431 1.00 0.00 C ATOM 287 C PRO A 17 -4.073 4.104 -16.671 1.00 0.00 C ATOM 288 O PRO A 17 -3.596 3.130 -17.217 1.00 0.00 O ATOM 289 CB PRO A 17 -6.368 3.501 -15.825 1.00 0.00 C ATOM 290 CG PRO A 17 -7.193 4.743 -15.928 1.00 0.00 C ATOM 291 CD PRO A 17 -6.538 5.806 -15.042 1.00 0.00 C ATOM 0 HA PRO A 17 -4.443 3.258 -14.785 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.350 2.964 -16.773 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.779 2.820 -15.080 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.244 5.084 -16.962 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.216 4.552 -15.604 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.476 6.766 -15.554 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.109 5.968 -14.128 1.00 0.00 H new ATOM 299 N ASP A 18 -3.854 5.309 -17.125 1.00 0.00 N ATOM 300 CA ASP A 18 -3.007 5.512 -18.332 1.00 0.00 C ATOM 301 C ASP A 18 -1.555 5.785 -17.922 1.00 0.00 C ATOM 302 O ASP A 18 -0.735 6.153 -18.738 1.00 0.00 O ATOM 303 CB ASP A 18 -3.543 6.704 -19.119 1.00 0.00 C ATOM 304 CG ASP A 18 -4.911 6.356 -19.708 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.266 5.189 -19.679 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.580 7.261 -20.177 1.00 0.00 O ATOM 0 H ASP A 18 -4.227 6.163 -16.710 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.036 4.612 -18.947 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.627 7.574 -18.468 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.849 6.968 -19.917 1.00 0.00 H new ATOM 311 N VAL A 19 -1.233 5.611 -16.668 1.00 0.00 N ATOM 312 CA VAL A 19 0.166 5.867 -16.211 1.00 0.00 C ATOM 313 C VAL A 19 0.844 4.541 -15.858 1.00 0.00 C ATOM 314 O VAL A 19 0.255 3.677 -15.243 1.00 0.00 O ATOM 315 CB VAL A 19 0.142 6.769 -14.976 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.575 7.101 -14.558 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.603 8.063 -15.308 1.00 0.00 C ATOM 0 H VAL A 19 -1.877 5.303 -15.940 1.00 0.00 H new ATOM 0 HA VAL A 19 0.722 6.356 -17.011 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.364 6.254 -14.159 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.558 7.744 -13.678 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.108 6.180 -14.324 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.082 7.616 -15.374 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.622 8.708 -14.429 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.095 8.576 -16.124 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.624 7.828 -15.607 1.00 0.00 H new ATOM 327 N ALA A 20 2.081 4.372 -16.244 1.00 0.00 N ATOM 328 CA ALA A 20 2.792 3.101 -15.927 1.00 0.00 C ATOM 329 C ALA A 20 3.257 3.126 -14.458 1.00 0.00 C ATOM 330 O ALA A 20 4.061 3.958 -14.086 1.00 0.00 O ATOM 331 CB ALA A 20 4.018 2.978 -16.836 1.00 0.00 C ATOM 0 H ALA A 20 2.628 5.058 -16.764 1.00 0.00 H new ATOM 0 HA ALA A 20 2.122 2.256 -16.084 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.546 2.051 -16.612 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.699 2.971 -17.878 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.684 3.824 -16.666 1.00 0.00 H new ATOM 337 N PRO A 21 2.776 2.229 -13.621 1.00 0.00 N ATOM 338 CA PRO A 21 3.190 2.188 -12.186 1.00 0.00 C ATOM 339 C PRO A 21 4.711 2.119 -12.028 1.00 0.00 C ATOM 340 O PRO A 21 5.259 2.514 -11.019 1.00 0.00 O ATOM 341 CB PRO A 21 2.553 0.911 -11.636 1.00 0.00 C ATOM 342 CG PRO A 21 1.455 0.550 -12.581 1.00 0.00 C ATOM 343 CD PRO A 21 1.794 1.174 -13.934 1.00 0.00 C ATOM 0 HA PRO A 21 2.873 3.089 -11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.287 0.108 -11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.164 1.072 -10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.365 -0.533 -12.669 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.497 0.921 -12.216 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.211 0.435 -14.618 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.907 1.588 -14.413 1.00 0.00 H new ATOM 351 N ALA A 22 5.395 1.619 -13.019 1.00 0.00 N ATOM 352 CA ALA A 22 6.880 1.523 -12.926 1.00 0.00 C ATOM 353 C ALA A 22 7.473 2.930 -12.838 1.00 0.00 C ATOM 354 O ALA A 22 8.557 3.126 -12.327 1.00 0.00 O ATOM 355 CB ALA A 22 7.424 0.816 -14.169 1.00 0.00 C ATOM 0 H ALA A 22 4.991 1.273 -13.889 1.00 0.00 H new ATOM 0 HA ALA A 22 7.155 0.955 -12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.510 0.746 -14.102 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.999 -0.186 -14.233 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.152 1.384 -15.059 1.00 0.00 H new ATOM 361 N ASP A 23 6.768 3.911 -13.331 1.00 0.00 N ATOM 362 CA ASP A 23 7.289 5.305 -13.274 1.00 0.00 C ATOM 363 C ASP A 23 7.008 5.895 -11.889 1.00 0.00 C ATOM 364 O ASP A 23 7.293 7.046 -11.627 1.00 0.00 O ATOM 365 CB ASP A 23 6.593 6.153 -14.341 1.00 0.00 C ATOM 366 CG ASP A 23 7.235 7.541 -14.387 1.00 0.00 C ATOM 367 OD1 ASP A 23 8.223 7.739 -13.701 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.726 8.384 -15.110 1.00 0.00 O ATOM 0 H ASP A 23 5.854 3.807 -13.771 1.00 0.00 H new ATOM 0 HA ASP A 23 8.363 5.301 -13.458 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.675 5.670 -15.315 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.530 6.239 -14.116 1.00 0.00 H new ATOM 373 N VAL A 24 6.453 5.113 -11.002 1.00 0.00 N ATOM 374 CA VAL A 24 6.154 5.627 -9.634 1.00 0.00 C ATOM 375 C VAL A 24 7.099 4.971 -8.631 1.00 0.00 C ATOM 376 O VAL A 24 7.299 3.774 -8.645 1.00 0.00 O ATOM 377 CB VAL A 24 4.718 5.268 -9.253 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.321 6.025 -7.986 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.773 5.647 -10.397 1.00 0.00 C ATOM 0 H VAL A 24 6.194 4.140 -11.166 1.00 0.00 H new ATOM 0 HA VAL A 24 6.283 6.709 -9.623 1.00 0.00 H new ATOM 0 HB VAL A 24 4.649 4.196 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.297 5.769 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.992 5.749 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.391 7.098 -8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.750 5.390 -10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.841 6.719 -10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.055 5.102 -11.298 1.00 0.00 H new ATOM 389 N ASP A 25 7.676 5.739 -7.752 1.00 0.00 N ATOM 390 CA ASP A 25 8.597 5.142 -6.749 1.00 0.00 C ATOM 391 C ASP A 25 7.790 4.714 -5.523 1.00 0.00 C ATOM 392 O ASP A 25 7.158 5.522 -4.873 1.00 0.00 O ATOM 393 CB ASP A 25 9.638 6.183 -6.333 1.00 0.00 C ATOM 394 CG ASP A 25 10.690 5.528 -5.438 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.567 4.340 -5.185 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.603 6.222 -5.024 1.00 0.00 O ATOM 0 H ASP A 25 7.551 6.749 -7.685 1.00 0.00 H new ATOM 0 HA ASP A 25 9.101 4.277 -7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.113 6.610 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.155 7.003 -5.803 1.00 0.00 H new ATOM 401 N VAL A 26 7.809 3.450 -5.195 1.00 0.00 N ATOM 402 CA VAL A 26 7.047 2.985 -4.007 1.00 0.00 C ATOM 403 C VAL A 26 7.782 3.415 -2.736 1.00 0.00 C ATOM 404 O VAL A 26 7.383 3.092 -1.635 1.00 0.00 O ATOM 405 CB VAL A 26 6.933 1.461 -4.041 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.228 1.026 -5.326 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.332 0.844 -3.994 1.00 0.00 C ATOM 0 H VAL A 26 8.318 2.724 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 26 6.049 3.423 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 26 6.356 1.123 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.148 -0.061 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.230 1.464 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.802 1.365 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.251 -0.243 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.909 1.184 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.834 1.150 -3.076 1.00 0.00 H new ATOM 417 N ASP A 27 8.850 4.153 -2.881 1.00 0.00 N ATOM 418 CA ASP A 27 9.605 4.616 -1.687 1.00 0.00 C ATOM 419 C ASP A 27 9.045 5.969 -1.243 1.00 0.00 C ATOM 420 O ASP A 27 9.435 6.516 -0.231 1.00 0.00 O ATOM 421 CB ASP A 27 11.081 4.767 -2.052 1.00 0.00 C ATOM 422 CG ASP A 27 11.679 3.390 -2.342 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.028 2.405 -2.033 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.779 3.343 -2.869 1.00 0.00 O ATOM 0 H ASP A 27 9.231 4.454 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 27 9.506 3.893 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.187 5.412 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.621 5.245 -1.235 1.00 0.00 H new ATOM 429 N LEU A 28 8.127 6.504 -1.999 1.00 0.00 N ATOM 430 CA LEU A 28 7.526 7.817 -1.638 1.00 0.00 C ATOM 431 C LEU A 28 6.196 7.580 -0.927 1.00 0.00 C ATOM 432 O LEU A 28 5.432 6.711 -1.295 1.00 0.00 O ATOM 433 CB LEU A 28 7.290 8.635 -2.908 1.00 0.00 C ATOM 434 CG LEU A 28 6.745 10.018 -2.539 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.823 10.823 -1.807 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.338 10.759 -3.815 1.00 0.00 C ATOM 0 H LEU A 28 7.766 6.085 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 28 8.201 8.362 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.222 8.737 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.585 8.118 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 28 5.879 9.902 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.430 11.806 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.115 10.297 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.692 10.940 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.950 11.744 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.207 10.871 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.567 10.191 -4.336 1.00 0.00 H new ATOM 448 N ASP A 29 5.916 8.336 0.096 1.00 0.00 N ATOM 449 CA ASP A 29 4.639 8.135 0.829 1.00 0.00 C ATOM 450 C ASP A 29 3.464 8.315 -0.128 1.00 0.00 C ATOM 451 O ASP A 29 3.445 9.207 -0.954 1.00 0.00 O ATOM 452 CB ASP A 29 4.536 9.148 1.971 1.00 0.00 C ATOM 453 CG ASP A 29 5.599 8.840 3.025 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.192 7.776 2.948 1.00 0.00 O ATOM 455 OD2 ASP A 29 5.805 9.673 3.893 1.00 0.00 O ATOM 0 H ASP A 29 6.514 9.081 0.454 1.00 0.00 H new ATOM 0 HA ASP A 29 4.615 7.126 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.672 10.159 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.543 9.107 2.418 1.00 0.00 H new ATOM 460 N LEU A 30 2.490 7.458 -0.024 1.00 0.00 N ATOM 461 CA LEU A 30 1.310 7.544 -0.925 1.00 0.00 C ATOM 462 C LEU A 30 0.526 8.829 -0.643 1.00 0.00 C ATOM 463 O LEU A 30 0.014 9.465 -1.541 1.00 0.00 O ATOM 464 CB LEU A 30 0.407 6.338 -0.663 1.00 0.00 C ATOM 465 CG LEU A 30 -0.358 5.976 -1.935 1.00 0.00 C ATOM 466 CD1 LEU A 30 -1.286 4.796 -1.645 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.186 7.172 -2.398 1.00 0.00 C ATOM 0 H LEU A 30 2.461 6.695 0.652 1.00 0.00 H new ATOM 0 HA LEU A 30 1.644 7.552 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.006 5.489 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.293 6.565 0.141 1.00 0.00 H new ATOM 0 HG LEU A 30 0.349 5.705 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.834 4.534 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.695 3.940 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.991 5.072 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.730 6.909 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.895 7.448 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.525 8.015 -2.602 1.00 0.00 H new ATOM 479 N VAL A 31 0.406 9.205 0.597 1.00 0.00 N ATOM 480 CA VAL A 31 -0.370 10.433 0.928 1.00 0.00 C ATOM 481 C VAL A 31 0.286 11.668 0.312 1.00 0.00 C ATOM 482 O VAL A 31 -0.387 12.585 -0.115 1.00 0.00 O ATOM 483 CB VAL A 31 -0.449 10.604 2.439 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.093 11.953 2.752 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.302 9.478 3.024 1.00 0.00 C ATOM 0 H VAL A 31 0.810 8.717 1.396 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.374 10.325 0.518 1.00 0.00 H new ATOM 0 HB VAL A 31 0.549 10.567 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.154 12.085 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.490 12.753 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.095 11.985 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.364 9.593 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.304 9.521 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.847 8.516 2.787 1.00 0.00 H new ATOM 495 N ASP A 32 1.585 11.709 0.258 1.00 0.00 N ATOM 496 CA ASP A 32 2.251 12.898 -0.337 1.00 0.00 C ATOM 497 C ASP A 32 1.651 13.140 -1.718 1.00 0.00 C ATOM 498 O ASP A 32 1.507 14.263 -2.162 1.00 0.00 O ATOM 499 CB ASP A 32 3.754 12.641 -0.465 1.00 0.00 C ATOM 500 CG ASP A 32 4.385 12.590 0.928 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.704 12.937 1.878 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.539 12.205 1.020 1.00 0.00 O ATOM 0 H ASP A 32 2.211 10.978 0.597 1.00 0.00 H new ATOM 0 HA ASP A 32 2.099 13.770 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.929 11.702 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.219 13.429 -1.058 1.00 0.00 H new ATOM 507 N ASN A 33 1.289 12.088 -2.393 1.00 0.00 N ATOM 508 CA ASN A 33 0.685 12.229 -3.743 1.00 0.00 C ATOM 509 C ASN A 33 -0.728 12.807 -3.628 1.00 0.00 C ATOM 510 O ASN A 33 -1.176 13.551 -4.476 1.00 0.00 O ATOM 511 CB ASN A 33 0.606 10.853 -4.391 1.00 0.00 C ATOM 512 CG ASN A 33 2.015 10.357 -4.720 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.952 11.130 -4.751 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.207 9.090 -4.969 1.00 0.00 N ATOM 0 H ASN A 33 1.387 11.128 -2.064 1.00 0.00 H new ATOM 0 HA ASN A 33 1.298 12.899 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.111 10.152 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.006 10.902 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.143 8.750 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.421 8.440 -4.943 1.00 0.00 H new ATOM 521 N GLY A 34 -1.436 12.459 -2.589 1.00 0.00 N ATOM 522 CA GLY A 34 -2.825 12.977 -2.426 1.00 0.00 C ATOM 523 C GLY A 34 -3.781 12.094 -3.223 1.00 0.00 C ATOM 524 O GLY A 34 -4.961 12.366 -3.323 1.00 0.00 O ATOM 0 H GLY A 34 -1.114 11.839 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.105 12.980 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.886 14.008 -2.774 1.00 0.00 H new ATOM 528 N VAL A 35 -3.279 11.030 -3.785 1.00 0.00 N ATOM 529 CA VAL A 35 -4.155 10.120 -4.568 1.00 0.00 C ATOM 530 C VAL A 35 -5.243 9.575 -3.644 1.00 0.00 C ATOM 531 O VAL A 35 -6.364 9.347 -4.053 1.00 0.00 O ATOM 532 CB VAL A 35 -3.327 8.964 -5.128 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.257 7.925 -5.757 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.366 9.496 -6.192 1.00 0.00 C ATOM 0 H VAL A 35 -2.299 10.753 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.609 10.663 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.759 8.501 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.665 7.101 -6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.943 7.545 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.826 8.387 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.775 8.673 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.936 9.959 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.702 10.236 -5.745 1.00 0.00 H new ATOM 544 N ILE A 36 -4.918 9.370 -2.397 1.00 0.00 N ATOM 545 CA ILE A 36 -5.931 8.844 -1.444 1.00 0.00 C ATOM 546 C ILE A 36 -6.770 9.999 -0.897 1.00 0.00 C ATOM 547 O ILE A 36 -6.258 10.948 -0.339 1.00 0.00 O ATOM 548 CB ILE A 36 -5.231 8.137 -0.283 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.430 6.951 -0.810 1.00 0.00 C ATOM 550 CG2 ILE A 36 -6.273 7.627 0.706 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.595 6.356 0.327 1.00 0.00 C ATOM 0 H ILE A 36 -3.995 9.544 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.576 8.137 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.563 8.842 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.103 6.195 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.780 7.270 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.773 7.123 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.852 8.467 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.939 6.926 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.022 5.508 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.913 7.114 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.255 6.022 1.127 1.00 0.00 H new ATOM 563 N ASP A 37 -8.059 9.911 -1.051 1.00 0.00 N ATOM 564 CA ASP A 37 -8.961 10.980 -0.544 1.00 0.00 C ATOM 565 C ASP A 37 -10.038 10.333 0.329 1.00 0.00 C ATOM 566 O ASP A 37 -9.872 9.229 0.811 1.00 0.00 O ATOM 567 CB ASP A 37 -9.617 11.698 -1.727 1.00 0.00 C ATOM 568 CG ASP A 37 -10.299 12.977 -1.238 1.00 0.00 C ATOM 569 OD1 ASP A 37 -10.153 13.293 -0.069 1.00 0.00 O ATOM 570 OD2 ASP A 37 -10.956 13.618 -2.041 1.00 0.00 O ATOM 0 H ASP A 37 -8.533 9.134 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.394 11.705 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.867 11.939 -2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.347 11.044 -2.203 1.00 0.00 H new ATOM 575 N ALA A 38 -11.141 10.995 0.539 1.00 0.00 N ATOM 576 CA ALA A 38 -12.211 10.390 1.381 1.00 0.00 C ATOM 577 C ALA A 38 -12.769 9.166 0.658 1.00 0.00 C ATOM 578 O ALA A 38 -12.769 8.066 1.178 1.00 0.00 O ATOM 579 CB ALA A 38 -13.331 11.410 1.603 1.00 0.00 C ATOM 0 H ALA A 38 -11.348 11.922 0.167 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.801 10.097 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.112 10.964 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.928 12.289 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.751 11.704 0.641 1.00 0.00 H new ATOM 585 N LEU A 39 -13.212 9.343 -0.554 1.00 0.00 N ATOM 586 CA LEU A 39 -13.731 8.191 -1.328 1.00 0.00 C ATOM 587 C LEU A 39 -12.542 7.321 -1.701 1.00 0.00 C ATOM 588 O LEU A 39 -12.624 6.111 -1.752 1.00 0.00 O ATOM 589 CB LEU A 39 -14.427 8.689 -2.594 1.00 0.00 C ATOM 590 CG LEU A 39 -15.504 9.704 -2.222 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.322 10.061 -3.464 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.426 9.107 -1.156 1.00 0.00 C ATOM 0 H LEU A 39 -13.236 10.239 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.453 7.625 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.700 9.145 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.873 7.851 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.032 10.604 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.091 10.786 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.666 10.490 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.793 9.162 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.195 9.833 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.898 8.205 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.843 8.857 -0.270 1.00 0.00 H new ATOM 604 N GLY A 40 -11.425 7.946 -1.948 1.00 0.00 N ATOM 605 CA GLY A 40 -10.206 7.182 -2.304 1.00 0.00 C ATOM 606 C GLY A 40 -9.871 6.231 -1.160 1.00 0.00 C ATOM 607 O GLY A 40 -9.498 5.094 -1.369 1.00 0.00 O ATOM 0 H GLY A 40 -11.307 8.959 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.367 6.622 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.374 7.862 -2.485 1.00 0.00 H new ATOM 611 N LEU A 41 -10.019 6.688 0.052 1.00 0.00 N ATOM 612 CA LEU A 41 -9.729 5.815 1.217 1.00 0.00 C ATOM 613 C LEU A 41 -10.727 4.663 1.245 1.00 0.00 C ATOM 614 O LEU A 41 -10.370 3.519 1.441 1.00 0.00 O ATOM 615 CB LEU A 41 -9.858 6.635 2.502 1.00 0.00 C ATOM 616 CG LEU A 41 -9.781 5.706 3.712 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.988 6.388 4.826 1.00 0.00 C ATOM 618 CD2 LEU A 41 -11.198 5.396 4.211 1.00 0.00 C ATOM 0 H LEU A 41 -10.329 7.632 0.284 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.718 5.416 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.064 7.380 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.804 7.177 2.506 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.285 4.778 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.932 5.726 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.981 6.609 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.485 7.316 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.143 4.733 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.694 6.324 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.765 4.911 3.417 1.00 0.00 H new ATOM 630 N LEU A 42 -11.979 4.959 1.052 1.00 0.00 N ATOM 631 CA LEU A 42 -13.008 3.884 1.070 1.00 0.00 C ATOM 632 C LEU A 42 -12.698 2.854 -0.010 1.00 0.00 C ATOM 633 O LEU A 42 -12.759 1.662 0.217 1.00 0.00 O ATOM 634 CB LEU A 42 -14.386 4.506 0.812 1.00 0.00 C ATOM 635 CG LEU A 42 -15.412 3.407 0.512 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.410 2.367 1.631 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.804 4.032 0.405 1.00 0.00 C ATOM 0 H LEU A 42 -12.336 5.899 0.882 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.004 3.390 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.702 5.082 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.329 5.200 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 42 -15.150 2.920 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.142 1.591 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.419 1.919 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.667 2.848 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.537 3.254 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -17.057 4.520 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -16.812 4.768 -0.399 1.00 0.00 H new ATOM 649 N LYS A 43 -12.363 3.294 -1.184 1.00 0.00 N ATOM 650 CA LYS A 43 -12.056 2.326 -2.264 1.00 0.00 C ATOM 651 C LYS A 43 -10.851 1.473 -1.861 1.00 0.00 C ATOM 652 O LYS A 43 -10.764 0.307 -2.192 1.00 0.00 O ATOM 653 CB LYS A 43 -11.739 3.081 -3.552 1.00 0.00 C ATOM 654 CG LYS A 43 -12.989 3.815 -4.042 1.00 0.00 C ATOM 655 CD LYS A 43 -12.694 4.478 -5.389 1.00 0.00 C ATOM 656 CE LYS A 43 -13.901 5.314 -5.822 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.661 6.745 -5.484 1.00 0.00 N ATOM 0 H LYS A 43 -12.289 4.278 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.919 1.680 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.932 3.793 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.391 2.386 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.819 3.116 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.292 4.566 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.810 5.111 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.476 3.719 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.066 5.205 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.802 4.957 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.488 7.311 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.506 6.839 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.821 7.086 -5.993 1.00 0.00 H new ATOM 671 N VAL A 44 -9.916 2.050 -1.157 1.00 0.00 N ATOM 672 CA VAL A 44 -8.709 1.282 -0.741 1.00 0.00 C ATOM 673 C VAL A 44 -9.108 0.118 0.169 1.00 0.00 C ATOM 674 O VAL A 44 -8.710 -1.011 -0.038 1.00 0.00 O ATOM 675 CB VAL A 44 -7.759 2.213 0.013 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.638 1.390 0.652 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.153 3.221 -0.966 1.00 0.00 C ATOM 0 H VAL A 44 -9.936 3.023 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.216 0.883 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.310 2.743 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.961 2.053 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.067 0.669 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.087 0.861 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.475 3.886 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.602 2.689 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.950 3.807 -1.424 1.00 0.00 H new ATOM 687 N ILE A 45 -9.885 0.385 1.179 1.00 0.00 N ATOM 688 CA ILE A 45 -10.306 -0.695 2.110 1.00 0.00 C ATOM 689 C ILE A 45 -11.247 -1.684 1.412 1.00 0.00 C ATOM 690 O ILE A 45 -11.271 -2.852 1.736 1.00 0.00 O ATOM 691 CB ILE A 45 -11.034 -0.072 3.302 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.035 0.667 4.203 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.720 -1.171 4.104 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.798 2.079 3.666 1.00 0.00 C ATOM 0 H ILE A 45 -10.249 1.312 1.401 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.418 -1.233 2.442 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.776 0.638 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.418 0.715 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.093 0.120 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.240 -0.730 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.438 -1.690 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.974 -1.880 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.088 2.599 4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.396 2.021 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.741 2.625 3.650 1.00 0.00 H new ATOM 706 N ALA A 46 -12.047 -1.227 0.489 1.00 0.00 N ATOM 707 CA ALA A 46 -13.014 -2.149 -0.184 1.00 0.00 C ATOM 708 C ALA A 46 -12.296 -3.193 -1.050 1.00 0.00 C ATOM 709 O ALA A 46 -12.572 -4.376 -0.962 1.00 0.00 O ATOM 710 CB ALA A 46 -13.945 -1.325 -1.071 1.00 0.00 C ATOM 0 H ALA A 46 -12.076 -0.259 0.170 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.574 -2.677 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.655 -1.987 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.487 -0.604 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.358 -0.795 -1.821 1.00 0.00 H new ATOM 716 N TRP A 47 -11.393 -2.782 -1.895 1.00 0.00 N ATOM 717 CA TRP A 47 -10.699 -3.778 -2.763 1.00 0.00 C ATOM 718 C TRP A 47 -9.578 -4.460 -1.985 1.00 0.00 C ATOM 719 O TRP A 47 -9.392 -5.658 -2.067 1.00 0.00 O ATOM 720 CB TRP A 47 -10.113 -3.076 -3.989 1.00 0.00 C ATOM 721 CG TRP A 47 -8.635 -3.302 -4.035 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.031 -4.479 -4.317 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.570 -2.343 -3.798 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.660 -4.302 -4.258 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.326 -3.000 -3.942 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.566 -0.980 -3.472 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.119 -2.324 -3.767 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.354 -0.293 -3.297 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.132 -0.964 -3.442 1.00 0.00 C ATOM 0 H TRP A 47 -11.106 -1.811 -2.023 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.421 -4.529 -3.084 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.578 -3.459 -4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.327 -2.008 -3.947 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.536 -5.405 -4.550 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.979 -5.043 -4.427 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.502 -0.454 -3.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.181 -2.847 -3.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.363 0.758 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.203 -0.432 -3.303 1.00 0.00 H new ATOM 740 N LEU A 48 -8.819 -3.709 -1.244 1.00 0.00 N ATOM 741 CA LEU A 48 -7.698 -4.314 -0.479 1.00 0.00 C ATOM 742 C LEU A 48 -8.232 -5.381 0.481 1.00 0.00 C ATOM 743 O LEU A 48 -7.647 -6.434 0.634 1.00 0.00 O ATOM 744 CB LEU A 48 -6.990 -3.217 0.319 1.00 0.00 C ATOM 745 CG LEU A 48 -5.753 -3.791 1.011 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.663 -4.088 -0.023 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.228 -2.773 2.026 1.00 0.00 C ATOM 0 H LEU A 48 -8.926 -2.701 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.998 -4.781 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.701 -2.402 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.670 -2.798 1.060 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.022 -4.717 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.786 -4.496 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.036 -4.812 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.390 -3.167 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.346 -3.176 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.964 -1.849 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.000 -2.567 2.768 1.00 0.00 H new ATOM 759 N GLU A 49 -9.332 -5.122 1.130 1.00 0.00 N ATOM 760 CA GLU A 49 -9.886 -6.125 2.074 1.00 0.00 C ATOM 761 C GLU A 49 -10.496 -7.287 1.288 1.00 0.00 C ATOM 762 O GLU A 49 -10.405 -8.433 1.681 1.00 0.00 O ATOM 763 CB GLU A 49 -10.951 -5.450 2.938 1.00 0.00 C ATOM 764 CG GLU A 49 -12.252 -5.339 2.156 1.00 0.00 C ATOM 765 CD GLU A 49 -13.242 -4.466 2.928 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.922 -4.084 4.042 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.305 -4.195 2.393 1.00 0.00 O ATOM 0 H GLU A 49 -9.870 -4.259 1.046 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.095 -6.517 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.112 -6.025 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.612 -4.459 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.062 -4.908 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.676 -6.330 1.993 1.00 0.00 H new ATOM 774 N ASP A 50 -11.126 -6.995 0.183 1.00 0.00 N ATOM 775 CA ASP A 50 -11.756 -8.074 -0.629 1.00 0.00 C ATOM 776 C ASP A 50 -10.709 -9.106 -1.060 1.00 0.00 C ATOM 777 O ASP A 50 -10.978 -10.290 -1.112 1.00 0.00 O ATOM 778 CB ASP A 50 -12.391 -7.455 -1.871 1.00 0.00 C ATOM 779 CG ASP A 50 -13.203 -8.517 -2.616 1.00 0.00 C ATOM 780 OD1 ASP A 50 -14.341 -8.735 -2.240 1.00 0.00 O ATOM 781 OD2 ASP A 50 -12.669 -9.092 -3.550 1.00 0.00 O ATOM 0 H ASP A 50 -11.232 -6.053 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.513 -8.574 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.036 -6.623 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.618 -7.050 -2.524 1.00 0.00 H new ATOM 786 N ARG A 51 -9.528 -8.668 -1.392 1.00 0.00 N ATOM 787 CA ARG A 51 -8.477 -9.622 -1.845 1.00 0.00 C ATOM 788 C ARG A 51 -8.140 -10.643 -0.754 1.00 0.00 C ATOM 789 O ARG A 51 -7.904 -11.800 -1.042 1.00 0.00 O ATOM 790 CB ARG A 51 -7.217 -8.846 -2.210 1.00 0.00 C ATOM 791 CG ARG A 51 -7.479 -8.007 -3.461 1.00 0.00 C ATOM 792 CD ARG A 51 -6.176 -7.347 -3.910 1.00 0.00 C ATOM 793 NE ARG A 51 -5.205 -8.401 -4.324 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.921 -8.201 -4.193 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.477 -7.071 -3.713 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.079 -9.132 -4.546 1.00 0.00 N ATOM 0 H ARG A 51 -9.244 -7.689 -1.369 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.858 -10.161 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.922 -8.201 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.391 -9.535 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.875 -8.636 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.232 -7.247 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.367 -6.667 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.759 -6.751 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.545 -9.281 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.134 -6.340 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.473 -6.919 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.423 -10.015 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.076 -8.978 -4.444 1.00 0.00 H new ATOM 810 N PHE A 52 -8.097 -10.239 0.488 1.00 0.00 N ATOM 811 CA PHE A 52 -7.751 -11.212 1.559 1.00 0.00 C ATOM 812 C PHE A 52 -9.018 -11.755 2.222 1.00 0.00 C ATOM 813 O PHE A 52 -8.967 -12.670 3.019 1.00 0.00 O ATOM 814 CB PHE A 52 -6.857 -10.523 2.590 1.00 0.00 C ATOM 815 CG PHE A 52 -5.483 -10.339 1.991 1.00 0.00 C ATOM 816 CD1 PHE A 52 -5.180 -9.175 1.275 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.516 -11.340 2.143 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.909 -9.015 0.709 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.245 -11.177 1.580 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.941 -10.015 0.863 1.00 0.00 C ATOM 0 H PHE A 52 -8.285 -9.287 0.803 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.216 -12.055 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.279 -9.558 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.796 -11.122 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.925 -8.402 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.751 -12.238 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.675 -8.119 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.499 -11.949 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.960 -9.889 0.428 1.00 0.00 H new ATOM 830 N GLY A 53 -10.156 -11.214 1.892 1.00 0.00 N ATOM 831 CA GLY A 53 -11.418 -11.719 2.499 1.00 0.00 C ATOM 832 C GLY A 53 -11.489 -11.271 3.953 1.00 0.00 C ATOM 833 O GLY A 53 -12.056 -11.943 4.791 1.00 0.00 O ATOM 0 H GLY A 53 -10.267 -10.446 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.278 -11.340 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.455 -12.807 2.439 1.00 0.00 H new ATOM 837 N ILE A 54 -10.917 -10.139 4.260 1.00 0.00 N ATOM 838 CA ILE A 54 -10.947 -9.650 5.663 1.00 0.00 C ATOM 839 C ILE A 54 -11.922 -8.477 5.776 1.00 0.00 C ATOM 840 O ILE A 54 -12.175 -7.776 4.819 1.00 0.00 O ATOM 841 CB ILE A 54 -9.543 -9.204 6.067 1.00 0.00 C ATOM 842 CG1 ILE A 54 -9.085 -8.076 5.140 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.579 -10.386 5.953 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.687 -7.616 5.548 1.00 0.00 C ATOM 0 H ILE A 54 -10.431 -9.533 3.599 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.278 -10.449 6.326 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.554 -8.847 7.097 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.078 -8.421 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.784 -7.241 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.577 -10.068 6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.908 -11.189 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.564 -10.745 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.361 -6.813 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.709 -7.254 6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.992 -8.452 5.472 1.00 0.00 H new ATOM 856 N ALA A 55 -12.480 -8.264 6.937 1.00 0.00 N ATOM 857 CA ALA A 55 -13.445 -7.142 7.103 1.00 0.00 C ATOM 858 C ALA A 55 -12.753 -5.965 7.795 1.00 0.00 C ATOM 859 O ALA A 55 -12.001 -6.138 8.733 1.00 0.00 O ATOM 860 CB ALA A 55 -14.627 -7.608 7.955 1.00 0.00 C ATOM 0 H ALA A 55 -12.309 -8.818 7.776 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.803 -6.826 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.334 -6.787 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.123 -8.444 7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.267 -7.925 8.934 1.00 0.00 H new ATOM 866 N ALA A 56 -13.003 -4.770 7.337 1.00 0.00 N ATOM 867 CA ALA A 56 -12.365 -3.579 7.965 1.00 0.00 C ATOM 868 C ALA A 56 -12.895 -3.400 9.389 1.00 0.00 C ATOM 869 O ALA A 56 -12.237 -2.840 10.240 1.00 0.00 O ATOM 870 CB ALA A 56 -12.692 -2.332 7.140 1.00 0.00 C ATOM 0 H ALA A 56 -13.623 -4.566 6.553 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.285 -3.724 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.226 -1.460 7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.311 -2.456 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.772 -2.191 7.107 1.00 0.00 H new ATOM 876 N ASP A 57 -14.085 -3.865 9.654 1.00 0.00 N ATOM 877 CA ASP A 57 -14.655 -3.711 11.021 1.00 0.00 C ATOM 878 C ASP A 57 -13.765 -4.418 12.050 1.00 0.00 C ATOM 879 O ASP A 57 -13.660 -3.996 13.184 1.00 0.00 O ATOM 880 CB ASP A 57 -16.072 -4.297 11.059 1.00 0.00 C ATOM 881 CG ASP A 57 -16.043 -5.784 10.691 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.960 -6.315 10.523 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.110 -6.366 10.586 1.00 0.00 O ATOM 0 H ASP A 57 -14.686 -4.344 8.984 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.699 -2.651 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.499 -4.170 12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.715 -3.756 10.365 1.00 0.00 H new ATOM 888 N ASP A 58 -13.124 -5.489 11.669 1.00 0.00 N ATOM 889 CA ASP A 58 -12.248 -6.212 12.635 1.00 0.00 C ATOM 890 C ASP A 58 -11.173 -5.263 13.167 1.00 0.00 C ATOM 891 O ASP A 58 -10.838 -5.281 14.335 1.00 0.00 O ATOM 892 CB ASP A 58 -11.583 -7.393 11.932 1.00 0.00 C ATOM 893 CG ASP A 58 -10.881 -8.275 12.967 1.00 0.00 C ATOM 894 OD1 ASP A 58 -11.029 -8.001 14.146 1.00 0.00 O ATOM 895 OD2 ASP A 58 -10.209 -9.209 12.562 1.00 0.00 O ATOM 0 H ASP A 58 -13.168 -5.894 10.734 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.851 -6.575 13.467 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.329 -7.974 11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.863 -7.034 11.197 1.00 0.00 H new ATOM 900 N VAL A 59 -10.630 -4.434 12.319 1.00 0.00 N ATOM 901 CA VAL A 59 -9.575 -3.483 12.775 1.00 0.00 C ATOM 902 C VAL A 59 -9.828 -2.105 12.158 1.00 0.00 C ATOM 903 O VAL A 59 -10.253 -1.990 11.027 1.00 0.00 O ATOM 904 CB VAL A 59 -8.203 -3.993 12.332 1.00 0.00 C ATOM 905 CG1 VAL A 59 -8.120 -3.979 10.805 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.112 -3.087 12.909 1.00 0.00 C ATOM 0 H VAL A 59 -10.871 -4.373 11.330 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.602 -3.406 13.862 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.061 -5.011 12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.142 -4.343 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.896 -4.623 10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.263 -2.961 10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.134 -3.450 12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.255 -2.069 12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.169 -3.097 13.997 1.00 0.00 H new ATOM 916 N GLU A 60 -9.565 -1.056 12.890 1.00 0.00 N ATOM 917 CA GLU A 60 -9.791 0.309 12.334 1.00 0.00 C ATOM 918 C GLU A 60 -8.513 0.790 11.645 1.00 0.00 C ATOM 919 O GLU A 60 -7.429 0.686 12.183 1.00 0.00 O ATOM 920 CB GLU A 60 -10.153 1.269 13.470 1.00 0.00 C ATOM 921 CG GLU A 60 -10.523 2.629 12.890 1.00 0.00 C ATOM 922 CD GLU A 60 -10.782 3.619 14.027 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.643 3.223 15.173 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.115 4.755 13.734 1.00 0.00 O ATOM 0 H GLU A 60 -9.205 -1.085 13.844 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.607 0.281 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.987 0.869 14.046 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.312 1.371 14.156 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.718 2.995 12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.410 2.539 12.263 1.00 0.00 H new ATOM 931 N LEU A 61 -8.630 1.311 10.454 1.00 0.00 N ATOM 932 CA LEU A 61 -7.427 1.790 9.729 1.00 0.00 C ATOM 933 C LEU A 61 -7.283 3.302 9.908 1.00 0.00 C ATOM 934 O LEU A 61 -8.243 4.041 9.822 1.00 0.00 O ATOM 935 CB LEU A 61 -7.581 1.465 8.244 1.00 0.00 C ATOM 936 CG LEU A 61 -7.843 -0.030 8.070 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.899 -0.368 6.579 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.715 -0.827 8.729 1.00 0.00 C ATOM 0 H LEU A 61 -9.511 1.424 9.953 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.539 1.298 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.404 2.040 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.679 1.752 7.703 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.793 -0.288 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.086 -1.435 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.702 0.199 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.949 -0.109 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.902 -1.894 8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.765 -0.568 8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.673 -0.588 9.792 1.00 0.00 H new ATOM 950 N SER A 62 -6.085 3.765 10.145 1.00 0.00 N ATOM 951 CA SER A 62 -5.864 5.226 10.317 1.00 0.00 C ATOM 952 C SER A 62 -5.088 5.753 9.111 1.00 0.00 C ATOM 953 O SER A 62 -4.392 5.014 8.446 1.00 0.00 O ATOM 954 CB SER A 62 -5.057 5.475 11.593 1.00 0.00 C ATOM 955 OG SER A 62 -3.996 6.377 11.309 1.00 0.00 O ATOM 0 H SER A 62 -5.247 3.189 10.227 1.00 0.00 H new ATOM 0 HA SER A 62 -6.823 5.739 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.701 5.886 12.370 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.658 4.535 11.974 1.00 0.00 H new ATOM 0 HG SER A 62 -3.478 6.540 12.125 1.00 0.00 H new ATOM 961 N PRO A 63 -5.197 7.020 8.832 1.00 0.00 N ATOM 962 CA PRO A 63 -4.489 7.647 7.683 1.00 0.00 C ATOM 963 C PRO A 63 -2.985 7.355 7.717 1.00 0.00 C ATOM 964 O PRO A 63 -2.311 7.396 6.707 1.00 0.00 O ATOM 965 CB PRO A 63 -4.750 9.152 7.845 1.00 0.00 C ATOM 966 CG PRO A 63 -5.370 9.331 9.197 1.00 0.00 C ATOM 967 CD PRO A 63 -5.998 7.994 9.576 1.00 0.00 C ATOM 0 HA PRO A 63 -4.845 7.257 6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.822 9.718 7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.414 9.517 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.620 9.627 9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.123 10.119 9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.949 7.817 10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.050 7.949 9.293 1.00 0.00 H new ATOM 975 N GLU A 64 -2.458 7.056 8.873 1.00 0.00 N ATOM 976 CA GLU A 64 -1.009 6.754 8.984 1.00 0.00 C ATOM 977 C GLU A 64 -0.717 5.406 8.333 1.00 0.00 C ATOM 978 O GLU A 64 0.370 5.162 7.856 1.00 0.00 O ATOM 979 CB GLU A 64 -0.615 6.708 10.458 1.00 0.00 C ATOM 980 CG GLU A 64 -0.811 8.084 11.083 1.00 0.00 C ATOM 981 CD GLU A 64 -0.343 8.058 12.539 1.00 0.00 C ATOM 982 OE1 GLU A 64 -0.061 6.977 13.030 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.275 9.119 13.137 1.00 0.00 O ATOM 0 H GLU A 64 -2.976 7.009 9.750 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.434 7.529 8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.220 5.969 10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.425 6.397 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.249 8.832 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.861 8.371 11.033 1.00 0.00 H new ATOM 990 N HIS A 65 -1.679 4.528 8.311 1.00 0.00 N ATOM 991 CA HIS A 65 -1.452 3.195 7.693 1.00 0.00 C ATOM 992 C HIS A 65 -1.220 3.373 6.197 1.00 0.00 C ATOM 993 O HIS A 65 -0.700 2.505 5.526 1.00 0.00 O ATOM 994 CB HIS A 65 -2.679 2.311 7.932 1.00 0.00 C ATOM 995 CG HIS A 65 -2.868 1.354 6.784 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.744 -0.020 6.937 1.00 0.00 N ATOM 997 CD2 HIS A 65 -3.201 1.555 5.467 1.00 0.00 C ATOM 998 CE1 HIS A 65 -3.002 -0.586 5.743 1.00 0.00 C ATOM 999 NE2 HIS A 65 -3.285 0.330 4.817 1.00 0.00 N ATOM 0 H HIS A 65 -2.612 4.676 8.694 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.578 2.720 8.139 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.559 1.755 8.862 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.567 2.933 8.045 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.502 -0.511 7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.371 2.517 5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.982 -1.650 5.558 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.599 4.501 5.672 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.402 4.755 4.222 1.00 0.00 C ATOM 1010 C PHE A 66 -0.125 5.572 4.040 1.00 0.00 C ATOM 1011 O PHE A 66 0.114 6.163 3.006 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.600 5.531 3.679 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.873 4.832 4.092 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.310 4.905 5.422 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.616 4.108 3.152 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.486 4.254 5.810 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.793 3.458 3.541 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.227 3.533 4.870 1.00 0.00 C ATOM 0 H PHE A 66 -2.039 5.262 6.188 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.315 3.813 3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.591 6.552 4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.543 5.597 2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.738 5.464 6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.281 4.051 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.821 4.309 6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.366 2.899 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.136 3.033 5.169 1.00 0.00 H new ATOM 1028 N ARG A 67 0.687 5.612 5.056 1.00 0.00 N ATOM 1029 CA ARG A 67 1.952 6.385 4.992 1.00 0.00 C ATOM 1030 C ARG A 67 2.722 6.052 3.709 1.00 0.00 C ATOM 1031 O ARG A 67 3.317 6.916 3.100 1.00 0.00 O ATOM 1032 CB ARG A 67 2.794 6.017 6.212 1.00 0.00 C ATOM 1033 CG ARG A 67 3.109 4.520 6.175 1.00 0.00 C ATOM 1034 CD ARG A 67 3.048 3.938 7.590 1.00 0.00 C ATOM 1035 NE ARG A 67 3.948 2.756 7.685 1.00 0.00 N ATOM 1036 CZ ARG A 67 3.816 1.916 8.676 1.00 0.00 C ATOM 1037 NH1 ARG A 67 2.911 2.125 9.591 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.587 0.868 8.749 1.00 0.00 N ATOM 0 H ARG A 67 0.524 5.133 5.942 1.00 0.00 H new ATOM 0 HA ARG A 67 1.733 7.453 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.718 6.595 6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.257 6.265 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.396 4.006 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.099 4.359 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.346 4.693 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.025 3.649 7.831 1.00 0.00 H new ATOM 0 HE ARG A 67 4.666 2.603 6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.306 2.944 9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.808 1.469 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.294 0.704 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.484 0.212 9.523 1.00 0.00 H new ATOM 1052 N SER A 68 2.725 4.814 3.292 1.00 0.00 N ATOM 1053 CA SER A 68 3.470 4.462 2.049 1.00 0.00 C ATOM 1054 C SER A 68 2.981 3.118 1.501 1.00 0.00 C ATOM 1055 O SER A 68 2.407 2.317 2.211 1.00 0.00 O ATOM 1056 CB SER A 68 4.963 4.372 2.360 1.00 0.00 C ATOM 1057 OG SER A 68 5.672 4.057 1.169 1.00 0.00 O ATOM 0 H SER A 68 2.249 4.039 3.753 1.00 0.00 H new ATOM 0 HA SER A 68 3.295 5.234 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.319 5.317 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.143 3.609 3.117 1.00 0.00 H new ATOM 0 HG SER A 68 6.312 4.772 0.970 1.00 0.00 H new ATOM 1063 N ILE A 69 3.207 2.867 0.238 1.00 0.00 N ATOM 1064 CA ILE A 69 2.765 1.583 -0.366 1.00 0.00 C ATOM 1065 C ILE A 69 3.397 0.415 0.391 1.00 0.00 C ATOM 1066 O ILE A 69 2.748 -0.568 0.690 1.00 0.00 O ATOM 1067 CB ILE A 69 3.227 1.536 -1.823 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.735 2.772 -2.572 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.657 0.299 -2.493 1.00 0.00 C ATOM 1070 CD1 ILE A 69 1.232 2.945 -2.358 1.00 0.00 C ATOM 0 H ILE A 69 3.682 3.503 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 69 1.679 1.509 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 69 4.316 1.508 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.266 3.657 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.951 2.673 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.985 0.264 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.008 -0.592 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.568 0.335 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.887 3.829 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.708 2.066 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.027 3.064 -1.294 1.00 0.00 H new ATOM 1082 N ARG A 70 4.662 0.510 0.696 1.00 0.00 N ATOM 1083 CA ARG A 70 5.337 -0.598 1.424 1.00 0.00 C ATOM 1084 C ARG A 70 4.629 -0.842 2.757 1.00 0.00 C ATOM 1085 O ARG A 70 4.455 -1.967 3.181 1.00 0.00 O ATOM 1086 CB ARG A 70 6.802 -0.225 1.674 1.00 0.00 C ATOM 1087 CG ARG A 70 6.880 1.172 2.294 1.00 0.00 C ATOM 1088 CD ARG A 70 7.745 2.077 1.414 1.00 0.00 C ATOM 1089 NE ARG A 70 9.166 1.635 1.490 1.00 0.00 N ATOM 1090 CZ ARG A 70 9.885 1.930 2.538 1.00 0.00 C ATOM 1091 NH1 ARG A 70 9.361 2.611 3.519 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.130 1.543 2.604 1.00 0.00 N ATOM 0 H ARG A 70 5.257 1.308 0.472 1.00 0.00 H new ATOM 0 HA ARG A 70 5.294 -1.508 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.265 -0.955 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.358 -0.249 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.880 1.593 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.302 1.113 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.396 2.039 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.657 3.113 1.742 1.00 0.00 H new ATOM 0 HE ARG A 70 9.576 1.102 0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.388 2.913 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.924 2.841 4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.540 1.010 1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.693 1.773 3.423 1.00 0.00 H new ATOM 1106 N SER A 71 4.216 0.202 3.419 1.00 0.00 N ATOM 1107 CA SER A 71 3.516 0.027 4.722 1.00 0.00 C ATOM 1108 C SER A 71 2.215 -0.748 4.508 1.00 0.00 C ATOM 1109 O SER A 71 1.861 -1.611 5.286 1.00 0.00 O ATOM 1110 CB SER A 71 3.192 1.398 5.311 1.00 0.00 C ATOM 1111 OG SER A 71 2.550 1.226 6.567 1.00 0.00 O ATOM 0 H SER A 71 4.333 1.168 3.115 1.00 0.00 H new ATOM 0 HA SER A 71 4.160 -0.526 5.406 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.105 1.980 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.547 1.956 4.632 1.00 0.00 H new ATOM 0 HG SER A 71 2.741 0.329 6.912 1.00 0.00 H new ATOM 1117 N ILE A 72 1.497 -0.442 3.462 1.00 0.00 N ATOM 1118 CA ILE A 72 0.221 -1.150 3.202 1.00 0.00 C ATOM 1119 C ILE A 72 0.484 -2.643 3.010 1.00 0.00 C ATOM 1120 O ILE A 72 -0.181 -3.479 3.588 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.415 -0.574 1.939 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.672 0.922 2.135 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.735 -1.285 1.670 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.178 1.529 0.826 1.00 0.00 C ATOM 0 H ILE A 72 1.744 0.271 2.776 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.451 -1.017 4.050 1.00 0.00 H new ATOM 0 HB ILE A 72 0.257 -0.719 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.406 1.075 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.245 1.421 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.192 -0.876 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.553 -2.351 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.407 -1.138 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.361 2.594 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.429 1.389 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.105 1.037 0.531 1.00 0.00 H new ATOM 1136 N ASP A 73 1.450 -2.988 2.203 1.00 0.00 N ATOM 1137 CA ASP A 73 1.746 -4.431 1.982 1.00 0.00 C ATOM 1138 C ASP A 73 2.124 -5.075 3.314 1.00 0.00 C ATOM 1139 O ASP A 73 1.695 -6.166 3.633 1.00 0.00 O ATOM 1140 CB ASP A 73 2.918 -4.567 1.007 1.00 0.00 C ATOM 1141 CG ASP A 73 2.926 -5.978 0.414 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.043 -6.747 0.755 1.00 0.00 O ATOM 1143 OD2 ASP A 73 3.816 -6.265 -0.369 1.00 0.00 O ATOM 0 H ASP A 73 2.044 -2.337 1.690 1.00 0.00 H new ATOM 0 HA ASP A 73 0.867 -4.925 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.831 -3.827 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.858 -4.372 1.522 1.00 0.00 H new ATOM 1148 N ALA A 74 2.927 -4.406 4.090 1.00 0.00 N ATOM 1149 CA ALA A 74 3.344 -4.969 5.402 1.00 0.00 C ATOM 1150 C ALA A 74 2.140 -5.051 6.341 1.00 0.00 C ATOM 1151 O ALA A 74 1.990 -5.993 7.091 1.00 0.00 O ATOM 1152 CB ALA A 74 4.414 -4.070 6.018 1.00 0.00 C ATOM 0 H ALA A 74 3.315 -3.488 3.871 1.00 0.00 H new ATOM 0 HA ALA A 74 3.747 -5.971 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.723 -4.479 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.275 -4.020 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.009 -3.069 6.163 1.00 0.00 H new ATOM 1158 N PHE A 75 1.284 -4.072 6.310 1.00 0.00 N ATOM 1159 CA PHE A 75 0.096 -4.105 7.207 1.00 0.00 C ATOM 1160 C PHE A 75 -0.760 -5.325 6.866 1.00 0.00 C ATOM 1161 O PHE A 75 -1.119 -6.105 7.725 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.727 -2.834 7.006 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.881 -2.823 7.980 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.698 -2.331 9.277 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.136 -3.303 7.584 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.768 -2.320 10.180 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.206 -3.292 8.486 1.00 0.00 C ATOM 1168 CZ PHE A 75 -4.022 -2.801 9.784 1.00 0.00 C ATOM 0 H PHE A 75 1.353 -3.253 5.706 1.00 0.00 H new ATOM 0 HA PHE A 75 0.422 -4.166 8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.101 -1.955 7.157 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.100 -2.787 5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.731 -1.959 9.582 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.278 -3.682 6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.626 -1.941 11.181 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.174 -3.662 8.181 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.848 -2.793 10.480 1.00 0.00 H new ATOM 1178 N VAL A 76 -1.089 -5.495 5.615 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.918 -6.658 5.211 1.00 0.00 C ATOM 1180 C VAL A 76 -1.107 -7.951 5.354 1.00 0.00 C ATOM 1181 O VAL A 76 -1.572 -8.924 5.914 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.338 -6.475 3.756 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -3.034 -7.740 3.272 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -3.301 -5.290 3.648 1.00 0.00 C ATOM 0 H VAL A 76 -0.816 -4.873 4.854 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.799 -6.723 5.849 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.458 -6.283 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.336 -7.614 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.350 -8.585 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.915 -7.928 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.601 -5.159 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.183 -5.481 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.805 -4.385 3.999 1.00 0.00 H new ATOM 1194 N VAL A 77 0.099 -7.972 4.851 1.00 0.00 N ATOM 1195 CA VAL A 77 0.928 -9.200 4.959 1.00 0.00 C ATOM 1196 C VAL A 77 1.340 -9.419 6.415 1.00 0.00 C ATOM 1197 O VAL A 77 1.240 -10.508 6.945 1.00 0.00 O ATOM 1198 CB VAL A 77 2.174 -9.034 4.091 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.113 -10.212 4.324 1.00 0.00 C ATOM 1200 CG2 VAL A 77 1.765 -8.991 2.617 1.00 0.00 C ATOM 0 H VAL A 77 0.543 -7.189 4.370 1.00 0.00 H new ATOM 0 HA VAL A 77 0.354 -10.062 4.620 1.00 0.00 H new ATOM 0 HB VAL A 77 2.682 -8.106 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.003 -10.096 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.403 -10.244 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.606 -11.140 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.653 -8.873 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.259 -9.919 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.091 -8.150 2.451 1.00 0.00 H new ATOM 1210 N GLY A 78 1.808 -8.390 7.063 1.00 0.00 N ATOM 1211 CA GLY A 78 2.236 -8.525 8.484 1.00 0.00 C ATOM 1212 C GLY A 78 1.042 -8.934 9.349 1.00 0.00 C ATOM 1213 O GLY A 78 1.171 -9.708 10.277 1.00 0.00 O ATOM 0 H GLY A 78 1.913 -7.456 6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.028 -9.270 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.648 -7.581 8.840 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.118 -8.411 9.062 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.316 -8.762 9.875 1.00 0.00 C ATOM 1219 C ALA A 79 -1.686 -10.231 9.656 1.00 0.00 C ATOM 1220 O ALA A 79 -2.065 -10.928 10.575 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.490 -7.875 9.461 1.00 0.00 C ATOM 0 H ALA A 79 -0.288 -7.755 8.299 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.090 -8.604 10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.367 -8.131 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.232 -6.829 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.709 -8.031 8.405 1.00 0.00 H new ATOM 1227 N THR A 80 -1.582 -10.704 8.446 1.00 0.00 N ATOM 1228 CA THR A 80 -1.931 -12.124 8.173 1.00 0.00 C ATOM 1229 C THR A 80 -0.759 -13.020 8.552 1.00 0.00 C ATOM 1230 O THR A 80 -0.935 -14.154 8.954 1.00 0.00 O ATOM 1231 CB THR A 80 -2.249 -12.296 6.686 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.073 -12.062 5.922 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.334 -11.300 6.274 1.00 0.00 C ATOM 0 H THR A 80 -1.271 -10.169 7.635 1.00 0.00 H new ATOM 0 HA THR A 80 -2.804 -12.402 8.764 1.00 0.00 H new ATOM 0 HB THR A 80 -2.605 -13.310 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.497 -11.426 6.395 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.559 -11.424 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.235 -11.481 6.860 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.982 -10.284 6.453 1.00 0.00 H new ATOM 1241 N THR A 81 0.440 -12.525 8.418 1.00 0.00 N ATOM 1242 CA THR A 81 1.625 -13.345 8.761 1.00 0.00 C ATOM 1243 C THR A 81 2.597 -12.525 9.620 1.00 0.00 C ATOM 1244 O THR A 81 2.641 -11.316 9.523 1.00 0.00 O ATOM 1245 CB THR A 81 2.318 -13.768 7.469 1.00 0.00 C ATOM 1246 OG1 THR A 81 1.994 -12.846 6.438 1.00 0.00 O ATOM 1247 CG2 THR A 81 1.848 -15.167 7.071 1.00 0.00 C ATOM 0 H THR A 81 0.646 -11.584 8.084 1.00 0.00 H new ATOM 0 HA THR A 81 1.313 -14.225 9.324 1.00 0.00 H new ATOM 0 HB THR A 81 3.397 -13.780 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.111 -11.931 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.343 -15.468 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.096 -15.873 7.863 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.769 -15.158 6.917 1.00 0.00 H new