USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 359 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 710 GLN : amide:sc= -0.177 K(o=1,f=-0.46) USER MOD Set 1.2: A 713 SER OG : rot -68:sc= 1.18 USER MOD Single : A 677 ASN : amide:sc= -0.662 K(o=-0.66,f=-1.5!) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot -40:sc= 0.821 USER MOD Single : A 703 SER OG : rot -41:sc= 0.964 USER MOD Single : A 706 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.8!) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 -0.458 -9.074 -15.260 1.00 0.00 N ATOM 2 CA ASN A 677 -0.388 -7.905 -14.339 1.00 0.00 C ATOM 3 C ASN A 677 1.045 -7.735 -13.846 1.00 0.00 C ATOM 4 O ASN A 677 1.743 -8.715 -13.590 1.00 0.00 O ATOM 5 CB ASN A 677 -1.325 -8.136 -13.151 1.00 0.00 C ATOM 6 CG ASN A 677 -1.668 -6.806 -12.491 1.00 0.00 C ATOM 7 OD1 ASN A 677 -1.802 -5.790 -13.172 1.00 0.00 O ATOM 8 ND2 ASN A 677 -1.819 -6.750 -11.196 1.00 0.00 N ATOM 0 HA ASN A 677 -0.695 -7.002 -14.866 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -2.237 -8.630 -13.487 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -0.851 -8.799 -12.427 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -2.048 -5.863 -10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -1.708 -7.593 -10.633 1.00 0.00 H new ATOM 17 N TRP A 678 1.466 -6.483 -13.690 1.00 0.00 N ATOM 18 CA TRP A 678 2.808 -6.193 -13.198 1.00 0.00 C ATOM 19 C TRP A 678 2.936 -6.591 -11.731 1.00 0.00 C ATOM 20 O TRP A 678 3.916 -7.222 -11.332 1.00 0.00 O ATOM 21 CB TRP A 678 3.111 -4.702 -13.350 1.00 0.00 C ATOM 22 CG TRP A 678 3.291 -4.377 -14.797 1.00 0.00 C ATOM 23 CD1 TRP A 678 2.327 -3.885 -15.609 1.00 0.00 C ATOM 24 CD2 TRP A 678 4.490 -4.505 -15.618 1.00 0.00 C ATOM 25 NE1 TRP A 678 2.855 -3.707 -16.875 1.00 0.00 N ATOM 26 CE2 TRP A 678 4.186 -4.074 -16.931 1.00 0.00 C ATOM 27 CE3 TRP A 678 5.797 -4.950 -15.353 1.00 0.00 C ATOM 28 CZ2 TRP A 678 5.143 -4.083 -17.945 1.00 0.00 C ATOM 29 CZ3 TRP A 678 6.765 -4.961 -16.373 1.00 0.00 C ATOM 30 CH2 TRP A 678 6.438 -4.528 -17.665 1.00 0.00 C ATOM 0 H TRP A 678 0.901 -5.659 -13.896 1.00 0.00 H new ATOM 0 HA TRP A 678 3.522 -6.770 -13.786 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.297 -4.110 -12.931 1.00 0.00 H new ATOM 0 HB3 TRP A 678 4.012 -4.444 -12.793 1.00 0.00 H new ATOM 0 HD1 TRP A 678 1.311 -3.667 -15.316 1.00 0.00 H new ATOM 0 HE1 TRP A 678 2.326 -3.349 -17.670 1.00 0.00 H new ATOM 0 HE3 TRP A 678 6.059 -5.285 -14.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 4.886 -3.749 -18.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 7.766 -5.305 -16.159 1.00 0.00 H new ATOM 0 HH2 TRP A 678 7.186 -4.538 -18.444 1.00 0.00 H new ATOM 41 N LEU A 679 1.943 -6.220 -10.931 1.00 0.00 N ATOM 42 CA LEU A 679 1.955 -6.543 -9.509 1.00 0.00 C ATOM 43 C LEU A 679 2.093 -8.046 -9.304 1.00 0.00 C ATOM 44 O LEU A 679 2.764 -8.499 -8.375 1.00 0.00 O ATOM 45 CB LEU A 679 0.661 -6.049 -8.851 1.00 0.00 C ATOM 46 CG LEU A 679 0.661 -6.392 -7.356 1.00 0.00 C ATOM 47 CD1 LEU A 679 1.827 -5.686 -6.658 1.00 0.00 C ATOM 48 CD2 LEU A 679 -0.658 -5.932 -6.730 1.00 0.00 C ATOM 0 H LEU A 679 1.123 -5.698 -11.241 1.00 0.00 H new ATOM 0 HA LEU A 679 2.809 -6.046 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 679 0.565 -4.971 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -0.200 -6.508 -9.337 1.00 0.00 H new ATOM 0 HG LEU A 679 0.771 -7.470 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.820 -5.935 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 679 2.768 -6.013 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 679 1.724 -4.608 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.661 -6.175 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -0.765 -4.855 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -1.489 -6.439 -7.220 1.00 0.00 H new ATOM 60 N TRP A 680 1.455 -8.820 -10.176 1.00 0.00 N ATOM 61 CA TRP A 680 1.515 -10.273 -10.081 1.00 0.00 C ATOM 62 C TRP A 680 2.961 -10.754 -10.096 1.00 0.00 C ATOM 63 O TRP A 680 3.365 -11.569 -9.265 1.00 0.00 O ATOM 64 CB TRP A 680 0.756 -10.906 -11.249 1.00 0.00 C ATOM 65 CG TRP A 680 0.867 -12.394 -11.169 1.00 0.00 C ATOM 66 CD1 TRP A 680 1.650 -13.159 -11.965 1.00 0.00 C ATOM 67 CD2 TRP A 680 0.192 -13.309 -10.257 1.00 0.00 C ATOM 68 NE1 TRP A 680 1.495 -14.485 -11.601 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.608 -14.628 -10.553 1.00 0.00 C ATOM 70 CE3 TRP A 680 -0.732 -13.123 -9.213 1.00 0.00 C ATOM 71 CZ2 TRP A 680 0.125 -15.725 -9.838 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -1.221 -14.224 -8.491 1.00 0.00 C ATOM 73 CH2 TRP A 680 -0.792 -15.522 -8.803 1.00 0.00 C ATOM 0 H TRP A 680 0.894 -8.468 -10.952 1.00 0.00 H new ATOM 0 HA TRP A 680 1.053 -10.573 -9.140 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.292 -10.607 -11.220 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.163 -10.551 -12.196 1.00 0.00 H new ATOM 0 HD1 TRP A 680 2.290 -12.794 -12.754 1.00 0.00 H new ATOM 0 HE1 TRP A 680 1.977 -15.262 -12.052 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -1.068 -12.127 -8.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 0.457 -16.723 -10.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -1.931 -14.070 -7.692 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -1.170 -16.365 -8.244 1.00 0.00 H new ATOM 84 N TYR A 681 3.738 -10.243 -11.045 1.00 0.00 N ATOM 85 CA TYR A 681 5.142 -10.627 -11.160 1.00 0.00 C ATOM 86 C TYR A 681 5.941 -10.110 -9.968 1.00 0.00 C ATOM 87 O TYR A 681 6.868 -10.770 -9.498 1.00 0.00 O ATOM 88 CB TYR A 681 5.740 -10.072 -12.454 1.00 0.00 C ATOM 89 CG TYR A 681 5.166 -10.818 -13.634 1.00 0.00 C ATOM 90 CD1 TYR A 681 4.131 -10.248 -14.384 1.00 0.00 C ATOM 91 CD2 TYR A 681 5.666 -12.079 -13.977 1.00 0.00 C ATOM 92 CE1 TYR A 681 3.597 -10.940 -15.478 1.00 0.00 C ATOM 93 CE2 TYR A 681 5.132 -12.772 -15.070 1.00 0.00 C ATOM 94 CZ TYR A 681 4.098 -12.202 -15.822 1.00 0.00 C ATOM 95 OH TYR A 681 3.572 -12.883 -16.901 1.00 0.00 O ATOM 0 H TYR A 681 3.424 -9.567 -11.741 1.00 0.00 H new ATOM 0 HA TYR A 681 5.195 -11.716 -11.176 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.521 -9.008 -12.541 1.00 0.00 H new ATOM 0 HB3 TYR A 681 6.825 -10.174 -12.439 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.744 -9.275 -14.119 1.00 0.00 H new ATOM 0 HD2 TYR A 681 6.465 -12.518 -13.398 1.00 0.00 H new ATOM 0 HE1 TYR A 681 2.798 -10.500 -16.057 1.00 0.00 H new ATOM 0 HE2 TYR A 681 5.518 -13.746 -15.333 1.00 0.00 H new ATOM 0 HH TYR A 681 4.033 -13.742 -17.002 1.00 0.00 H new ATOM 105 N ILE A 682 5.576 -8.928 -9.485 1.00 0.00 N ATOM 106 CA ILE A 682 6.267 -8.333 -8.346 1.00 0.00 C ATOM 107 C ILE A 682 6.108 -9.211 -7.108 1.00 0.00 C ATOM 108 O ILE A 682 7.071 -9.459 -6.384 1.00 0.00 O ATOM 109 CB ILE A 682 5.725 -6.930 -8.068 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.148 -5.994 -9.207 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.296 -6.415 -6.745 1.00 0.00 C ATOM 112 CD1 ILE A 682 5.405 -4.659 -9.095 1.00 0.00 C ATOM 0 H ILE A 682 4.812 -8.366 -9.860 1.00 0.00 H new ATOM 0 HA ILE A 682 7.327 -8.258 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 682 4.637 -6.962 -8.003 1.00 0.00 H new ATOM 0 HG12 ILE A 682 7.224 -5.825 -9.168 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.933 -6.459 -10.169 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.910 -5.415 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 682 6.002 -7.084 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.384 -6.378 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 682 5.713 -4.002 -9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 682 4.331 -4.834 -9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 682 5.642 -4.190 -8.140 1.00 0.00 H new ATOM 124 N ARG A 683 4.887 -9.677 -6.874 1.00 0.00 N ATOM 125 CA ARG A 683 4.614 -10.527 -5.721 1.00 0.00 C ATOM 126 C ARG A 683 5.422 -11.817 -5.801 1.00 0.00 C ATOM 127 O ARG A 683 6.009 -12.256 -4.811 1.00 0.00 O ATOM 128 CB ARG A 683 3.124 -10.860 -5.657 1.00 0.00 C ATOM 129 CG ARG A 683 2.845 -11.727 -4.426 1.00 0.00 C ATOM 130 CD ARG A 683 1.346 -12.021 -4.335 1.00 0.00 C ATOM 131 NE ARG A 683 1.067 -12.872 -3.183 1.00 0.00 N ATOM 132 CZ ARG A 683 -0.172 -13.275 -2.890 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.188 -12.916 -3.634 1.00 0.00 N ATOM 134 NH2 ARG A 683 -0.372 -14.037 -1.850 1.00 0.00 N ATOM 0 H ARG A 683 4.076 -9.483 -7.462 1.00 0.00 H new ATOM 0 HA ARG A 683 4.904 -9.986 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.538 -9.942 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.819 -11.386 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 683 3.406 -12.660 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 683 3.181 -11.215 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.790 -11.088 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 683 1.008 -12.511 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 683 1.839 -13.167 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -1.038 -12.321 -4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.129 -13.231 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 683 0.415 -14.321 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -1.316 -14.349 -1.620 1.00 0.00 H new ATOM 148 N ILE A 684 5.446 -12.423 -6.983 1.00 0.00 N ATOM 149 CA ILE A 684 6.183 -13.666 -7.179 1.00 0.00 C ATOM 150 C ILE A 684 7.657 -13.472 -6.839 1.00 0.00 C ATOM 151 O ILE A 684 8.246 -14.271 -6.108 1.00 0.00 O ATOM 152 CB ILE A 684 6.049 -14.128 -8.634 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.601 -14.560 -8.922 1.00 0.00 C ATOM 154 CG2 ILE A 684 6.994 -15.306 -8.886 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.291 -15.908 -8.256 1.00 0.00 C ATOM 0 H ILE A 684 4.967 -12.077 -7.815 1.00 0.00 H new ATOM 0 HA ILE A 684 5.765 -14.424 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 684 6.310 -13.301 -9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 684 3.910 -13.801 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.447 -14.637 -9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 684 6.898 -15.634 -9.921 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.022 -14.995 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.736 -16.129 -8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.262 -16.193 -8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 684 4.968 -16.669 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 684 4.423 -15.820 -7.178 1.00 0.00 H new ATOM 167 N PHE A 685 8.250 -12.412 -7.376 1.00 0.00 N ATOM 168 CA PHE A 685 9.658 -12.129 -7.123 1.00 0.00 C ATOM 169 C PHE A 685 9.903 -11.922 -5.633 1.00 0.00 C ATOM 170 O PHE A 685 10.902 -12.393 -5.086 1.00 0.00 O ATOM 171 CB PHE A 685 10.086 -10.877 -7.889 1.00 0.00 C ATOM 172 CG PHE A 685 11.546 -10.598 -7.622 1.00 0.00 C ATOM 173 CD1 PHE A 685 12.533 -11.328 -8.296 1.00 0.00 C ATOM 174 CD2 PHE A 685 11.914 -9.608 -6.703 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.886 -11.069 -8.049 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.268 -9.349 -6.456 1.00 0.00 C ATOM 177 CZ PHE A 685 14.254 -10.080 -7.129 1.00 0.00 C ATOM 0 H PHE A 685 7.783 -11.740 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 685 10.246 -12.981 -7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.921 -11.017 -8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.480 -10.025 -7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 685 12.250 -12.091 -9.006 1.00 0.00 H new ATOM 0 HD2 PHE A 685 11.153 -9.044 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 685 14.647 -11.633 -8.569 1.00 0.00 H new ATOM 0 HE2 PHE A 685 13.551 -8.586 -5.747 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.298 -9.881 -6.939 1.00 0.00 H new ATOM 187 N ILE A 686 8.984 -11.217 -4.980 1.00 0.00 N ATOM 188 CA ILE A 686 9.111 -10.957 -3.551 1.00 0.00 C ATOM 189 C ILE A 686 9.144 -12.268 -2.772 1.00 0.00 C ATOM 190 O ILE A 686 9.968 -12.449 -1.875 1.00 0.00 O ATOM 191 CB ILE A 686 7.955 -10.086 -3.057 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.118 -8.667 -3.609 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.962 -10.042 -1.527 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.822 -7.881 -3.399 1.00 0.00 C ATOM 0 H ILE A 686 8.151 -10.819 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 686 10.047 -10.423 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 686 7.010 -10.507 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.945 -8.164 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.364 -8.705 -4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.138 -9.421 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.848 -11.052 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.906 -9.622 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.941 -6.872 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 686 6.005 -8.380 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.595 -7.831 -2.334 1.00 0.00 H new ATOM 206 N ILE A 687 8.241 -13.179 -3.121 1.00 0.00 N ATOM 207 CA ILE A 687 8.174 -14.473 -2.447 1.00 0.00 C ATOM 208 C ILE A 687 9.485 -15.231 -2.617 1.00 0.00 C ATOM 209 O ILE A 687 9.997 -15.824 -1.668 1.00 0.00 O ATOM 210 CB ILE A 687 7.022 -15.302 -3.025 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.669 -14.673 -2.647 1.00 0.00 C ATOM 212 CG2 ILE A 687 7.093 -16.729 -2.475 1.00 0.00 C ATOM 213 CD1 ILE A 687 5.357 -14.908 -1.162 1.00 0.00 C ATOM 0 H ILE A 687 7.550 -13.048 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 687 8.001 -14.303 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 687 7.112 -15.321 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.689 -13.603 -2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 687 4.878 -15.102 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.274 -17.319 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 687 8.043 -17.181 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 687 7.013 -16.704 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 687 4.396 -14.455 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 687 5.315 -15.979 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 687 6.138 -14.457 -0.550 1.00 0.00 H new ATOM 225 N ILE A 688 10.022 -15.210 -3.831 1.00 0.00 N ATOM 226 CA ILE A 688 11.275 -15.900 -4.115 1.00 0.00 C ATOM 227 C ILE A 688 12.401 -15.351 -3.245 1.00 0.00 C ATOM 228 O ILE A 688 13.203 -16.109 -2.700 1.00 0.00 O ATOM 229 CB ILE A 688 11.640 -15.733 -5.590 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.643 -16.513 -6.450 1.00 0.00 C ATOM 231 CG2 ILE A 688 13.051 -16.272 -5.833 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.827 -16.131 -7.920 1.00 0.00 C ATOM 0 H ILE A 688 9.613 -14.726 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 688 11.143 -16.958 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 688 11.605 -14.676 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.795 -17.584 -6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.624 -16.295 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.310 -16.152 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.762 -15.720 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 688 13.087 -17.329 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 688 10.117 -16.687 -8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.653 -15.062 -8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.843 -16.372 -8.234 1.00 0.00 H new ATOM 244 N VAL A 689 12.455 -14.028 -3.121 1.00 0.00 N ATOM 245 CA VAL A 689 13.487 -13.388 -2.314 1.00 0.00 C ATOM 246 C VAL A 689 13.347 -13.785 -0.848 1.00 0.00 C ATOM 247 O VAL A 689 14.336 -14.094 -0.181 1.00 0.00 O ATOM 248 CB VAL A 689 13.384 -11.869 -2.446 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.320 -11.201 -1.436 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.786 -11.454 -3.863 1.00 0.00 C ATOM 0 H VAL A 689 11.801 -13.383 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 689 14.461 -13.719 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 689 12.358 -11.557 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.245 -10.118 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.036 -11.497 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.346 -11.512 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.713 -10.371 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.812 -11.767 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.120 -11.928 -4.584 1.00 0.00 H new ATOM 260 N GLY A 690 12.116 -13.776 -0.352 1.00 0.00 N ATOM 261 CA GLY A 690 11.859 -14.137 1.037 1.00 0.00 C ATOM 262 C GLY A 690 12.204 -15.602 1.284 1.00 0.00 C ATOM 263 O GLY A 690 12.750 -15.954 2.328 1.00 0.00 O ATOM 0 H GLY A 690 11.285 -13.524 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.449 -13.502 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.811 -13.959 1.276 1.00 0.00 H new ATOM 267 N SER A 691 11.881 -16.452 0.312 1.00 0.00 N ATOM 268 CA SER A 691 12.163 -17.879 0.436 1.00 0.00 C ATOM 269 C SER A 691 13.663 -18.119 0.560 1.00 0.00 C ATOM 270 O SER A 691 14.107 -18.929 1.374 1.00 0.00 O ATOM 271 CB SER A 691 11.610 -18.653 -0.762 1.00 0.00 C ATOM 272 OG SER A 691 12.307 -18.275 -1.937 1.00 0.00 O ATOM 0 H SER A 691 11.429 -16.181 -0.561 1.00 0.00 H new ATOM 0 HA SER A 691 11.670 -18.239 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 691 11.714 -19.725 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.545 -18.451 -0.878 1.00 0.00 H new ATOM 0 HG SER A 691 12.468 -17.308 -1.925 1.00 0.00 H new ATOM 278 N LEU A 692 14.441 -17.411 -0.255 1.00 0.00 N ATOM 279 CA LEU A 692 15.891 -17.558 -0.228 1.00 0.00 C ATOM 280 C LEU A 692 16.444 -17.147 1.132 1.00 0.00 C ATOM 281 O LEU A 692 17.301 -17.826 1.696 1.00 0.00 O ATOM 282 CB LEU A 692 16.523 -16.696 -1.322 1.00 0.00 C ATOM 283 CG LEU A 692 18.042 -16.870 -1.299 1.00 0.00 C ATOM 284 CD1 LEU A 692 18.571 -16.912 -2.733 1.00 0.00 C ATOM 285 CD2 LEU A 692 18.680 -15.692 -0.559 1.00 0.00 C ATOM 0 H LEU A 692 14.094 -16.736 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 692 16.136 -18.605 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.129 -16.982 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 692 16.265 -15.648 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 692 18.293 -17.800 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 692 19.654 -17.036 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 692 18.117 -17.749 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 692 18.320 -15.981 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 692 19.763 -15.816 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.429 -14.762 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 692 18.303 -15.657 0.463 1.00 0.00 H new ATOM 297 N ILE A 693 15.946 -16.030 1.653 1.00 0.00 N ATOM 298 CA ILE A 693 16.395 -15.537 2.950 1.00 0.00 C ATOM 299 C ILE A 693 16.078 -16.547 4.048 1.00 0.00 C ATOM 300 O ILE A 693 16.895 -16.790 4.936 1.00 0.00 O ATOM 301 CB ILE A 693 15.715 -14.205 3.267 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.238 -13.129 2.312 1.00 0.00 C ATOM 303 CG2 ILE A 693 16.028 -13.800 4.708 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.371 -11.874 2.431 1.00 0.00 C ATOM 0 H ILE A 693 15.237 -15.453 1.201 1.00 0.00 H new ATOM 0 HA ILE A 693 17.474 -15.392 2.907 1.00 0.00 H new ATOM 0 HB ILE A 693 14.637 -14.310 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.275 -12.891 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.222 -13.499 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.543 -12.850 4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.659 -14.566 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 693 17.106 -13.694 4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.744 -11.108 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.340 -12.118 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.410 -11.500 3.454 1.00 0.00 H new ATOM 316 N GLY A 694 14.887 -17.133 3.980 1.00 0.00 N ATOM 317 CA GLY A 694 14.471 -18.114 4.976 1.00 0.00 C ATOM 318 C GLY A 694 15.432 -19.300 4.995 1.00 0.00 C ATOM 319 O GLY A 694 15.924 -19.693 6.050 1.00 0.00 O ATOM 0 H GLY A 694 14.197 -16.948 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.439 -17.649 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.462 -18.460 4.754 1.00 0.00 H new ATOM 323 N LEU A 695 15.688 -19.867 3.820 1.00 0.00 N ATOM 324 CA LEU A 695 16.589 -21.009 3.715 1.00 0.00 C ATOM 325 C LEU A 695 17.939 -20.683 4.345 1.00 0.00 C ATOM 326 O LEU A 695 18.487 -21.478 5.107 1.00 0.00 O ATOM 327 CB LEU A 695 16.785 -21.398 2.248 1.00 0.00 C ATOM 328 CG LEU A 695 15.793 -22.501 1.871 1.00 0.00 C ATOM 329 CD1 LEU A 695 14.370 -21.941 1.868 1.00 0.00 C ATOM 330 CD2 LEU A 695 16.132 -23.031 0.476 1.00 0.00 C ATOM 0 H LEU A 695 15.288 -19.557 2.934 1.00 0.00 H new ATOM 0 HA LEU A 695 16.142 -21.847 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 695 16.637 -20.528 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.806 -21.743 2.086 1.00 0.00 H new ATOM 0 HG LEU A 695 15.859 -23.309 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 695 13.669 -22.731 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 695 14.126 -21.562 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 695 14.299 -21.131 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 695 15.427 -23.817 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.066 -22.219 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 695 17.144 -23.436 0.477 1.00 0.00 H new ATOM 342 N ARG A 696 18.470 -19.510 4.020 1.00 0.00 N ATOM 343 CA ARG A 696 19.756 -19.088 4.558 1.00 0.00 C ATOM 344 C ARG A 696 19.704 -19.012 6.081 1.00 0.00 C ATOM 345 O ARG A 696 20.586 -19.526 6.769 1.00 0.00 O ATOM 346 CB ARG A 696 20.138 -17.719 3.991 1.00 0.00 C ATOM 347 CG ARG A 696 21.501 -17.298 4.541 1.00 0.00 C ATOM 348 CD ARG A 696 21.939 -15.992 3.877 1.00 0.00 C ATOM 349 NE ARG A 696 21.010 -14.917 4.215 1.00 0.00 N ATOM 350 CZ ARG A 696 21.083 -13.719 3.634 1.00 0.00 C ATOM 351 NH1 ARG A 696 21.998 -13.465 2.733 1.00 0.00 N ATOM 352 NH2 ARG A 696 20.230 -12.788 3.967 1.00 0.00 N ATOM 0 H ARG A 696 18.032 -18.838 3.390 1.00 0.00 H new ATOM 0 HA ARG A 696 20.506 -19.824 4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 696 20.171 -17.762 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 696 19.383 -16.980 4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 696 21.444 -17.167 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 696 22.238 -18.079 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 696 22.945 -15.729 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 696 21.979 -16.121 2.795 1.00 0.00 H new ATOM 0 HE ARG A 696 20.287 -15.087 4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 696 22.667 -14.188 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 696 22.042 -12.544 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 696 19.514 -12.979 4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 696 20.280 -11.869 3.527 1.00 0.00 H new ATOM 366 N ILE A 697 18.666 -18.366 6.601 1.00 0.00 N ATOM 367 CA ILE A 697 18.510 -18.228 8.044 1.00 0.00 C ATOM 368 C ILE A 697 18.471 -19.600 8.712 1.00 0.00 C ATOM 369 O ILE A 697 19.133 -19.828 9.724 1.00 0.00 O ATOM 370 CB ILE A 697 17.223 -17.465 8.362 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.377 -16.007 7.924 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.954 -17.519 9.866 1.00 0.00 C ATOM 373 CD1 ILE A 697 16.016 -15.311 7.972 1.00 0.00 C ATOM 0 H ILE A 697 17.925 -17.933 6.050 1.00 0.00 H new ATOM 0 HA ILE A 697 19.364 -17.672 8.431 1.00 0.00 H new ATOM 0 HB ILE A 697 16.389 -17.921 7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 697 18.083 -15.493 8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 697 17.785 -15.961 6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.037 -16.975 10.091 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.846 -18.557 10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.787 -17.063 10.401 1.00 0.00 H new ATOM 0 HD11 ILE A 697 16.127 -14.273 7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 697 15.323 -15.819 7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 697 15.626 -15.344 8.989 1.00 0.00 H new ATOM 385 N VAL A 698 17.686 -20.508 8.141 1.00 0.00 N ATOM 386 CA VAL A 698 17.567 -21.854 8.689 1.00 0.00 C ATOM 387 C VAL A 698 18.930 -22.537 8.722 1.00 0.00 C ATOM 388 O VAL A 698 19.292 -23.177 9.711 1.00 0.00 O ATOM 389 CB VAL A 698 16.601 -22.681 7.840 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.658 -24.146 8.279 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.179 -22.147 8.024 1.00 0.00 C ATOM 0 H VAL A 698 17.127 -20.338 7.305 1.00 0.00 H new ATOM 0 HA VAL A 698 17.183 -21.781 9.706 1.00 0.00 H new ATOM 0 HB VAL A 698 16.885 -22.608 6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 698 15.969 -24.734 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.671 -24.526 8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.374 -24.223 9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.488 -22.735 7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.896 -22.221 9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.138 -21.104 7.710 1.00 0.00 H new ATOM 401 N PHE A 699 19.681 -22.397 7.637 1.00 0.00 N ATOM 402 CA PHE A 699 21.005 -23.001 7.550 1.00 0.00 C ATOM 403 C PHE A 699 21.918 -22.443 8.636 1.00 0.00 C ATOM 404 O PHE A 699 22.653 -23.185 9.287 1.00 0.00 O ATOM 405 CB PHE A 699 21.617 -22.727 6.176 1.00 0.00 C ATOM 406 CG PHE A 699 22.995 -23.339 6.107 1.00 0.00 C ATOM 407 CD1 PHE A 699 23.139 -24.713 5.886 1.00 0.00 C ATOM 408 CD2 PHE A 699 24.129 -22.532 6.263 1.00 0.00 C ATOM 409 CE1 PHE A 699 24.415 -25.282 5.820 1.00 0.00 C ATOM 410 CE2 PHE A 699 25.406 -23.101 6.197 1.00 0.00 C ATOM 411 CZ PHE A 699 25.549 -24.476 5.977 1.00 0.00 C ATOM 0 H PHE A 699 19.398 -21.873 6.809 1.00 0.00 H new ATOM 0 HA PHE A 699 20.903 -24.077 7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 699 20.983 -23.144 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 699 21.675 -21.653 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 699 22.264 -25.335 5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 699 24.018 -21.471 6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 699 24.525 -26.342 5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 699 26.281 -22.479 6.316 1.00 0.00 H new ATOM 0 HZ PHE A 699 26.534 -24.915 5.928 1.00 0.00 H new ATOM 421 N ALA A 700 21.862 -21.129 8.830 1.00 0.00 N ATOM 422 CA ALA A 700 22.685 -20.479 9.843 1.00 0.00 C ATOM 423 C ALA A 700 22.343 -21.011 11.229 1.00 0.00 C ATOM 424 O ALA A 700 23.231 -21.317 12.025 1.00 0.00 O ATOM 425 CB ALA A 700 22.464 -18.968 9.805 1.00 0.00 C ATOM 0 H ALA A 700 21.259 -20.497 8.303 1.00 0.00 H new ATOM 0 HA ALA A 700 23.732 -20.697 9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.083 -18.491 10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.737 -18.585 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.414 -18.749 10.001 1.00 0.00 H new ATOM 431 N VAL A 701 21.049 -21.120 11.513 1.00 0.00 N ATOM 432 CA VAL A 701 20.602 -21.615 12.809 1.00 0.00 C ATOM 433 C VAL A 701 21.160 -23.010 13.068 1.00 0.00 C ATOM 434 O VAL A 701 21.639 -23.305 14.162 1.00 0.00 O ATOM 435 CB VAL A 701 19.074 -21.658 12.853 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.619 -22.390 14.117 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.527 -20.229 12.867 1.00 0.00 C ATOM 0 H VAL A 701 20.297 -20.874 10.869 1.00 0.00 H new ATOM 0 HA VAL A 701 20.968 -20.939 13.582 1.00 0.00 H new ATOM 0 HB VAL A 701 18.699 -22.184 11.975 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.530 -22.420 14.148 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.010 -23.407 14.109 1.00 0.00 H new ATOM 0 HG13 VAL A 701 18.992 -21.865 14.996 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.438 -20.257 12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.902 -19.704 13.746 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.851 -19.707 11.967 1.00 0.00 H new ATOM 447 N LEU A 702 21.096 -23.865 12.052 1.00 0.00 N ATOM 448 CA LEU A 702 21.597 -25.229 12.178 1.00 0.00 C ATOM 449 C LEU A 702 23.103 -25.226 12.426 1.00 0.00 C ATOM 450 O LEU A 702 23.602 -25.962 13.279 1.00 0.00 O ATOM 451 CB LEU A 702 21.285 -26.030 10.910 1.00 0.00 C ATOM 452 CG LEU A 702 19.968 -26.797 11.080 1.00 0.00 C ATOM 453 CD1 LEU A 702 20.186 -27.981 12.027 1.00 0.00 C ATOM 454 CD2 LEU A 702 18.889 -25.868 11.655 1.00 0.00 C ATOM 0 H LEU A 702 20.705 -23.639 11.138 1.00 0.00 H new ATOM 0 HA LEU A 702 21.100 -25.697 13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 702 21.215 -25.358 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 702 22.097 -26.727 10.703 1.00 0.00 H new ATOM 0 HG LEU A 702 19.639 -27.163 10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 702 19.250 -28.527 12.148 1.00 0.00 H new ATOM 0 HD12 LEU A 702 20.942 -28.646 11.610 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.521 -27.614 12.997 1.00 0.00 H new ATOM 0 HD21 LEU A 702 17.957 -26.421 11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 702 19.212 -25.492 12.626 1.00 0.00 H new ATOM 0 HD23 LEU A 702 18.730 -25.030 10.976 1.00 0.00 H new ATOM 466 N SER A 703 23.821 -24.397 11.679 1.00 0.00 N ATOM 467 CA SER A 703 25.269 -24.308 11.828 1.00 0.00 C ATOM 468 C SER A 703 25.636 -23.869 13.242 1.00 0.00 C ATOM 469 O SER A 703 26.565 -24.404 13.847 1.00 0.00 O ATOM 470 CB SER A 703 25.865 -23.333 10.810 1.00 0.00 C ATOM 471 OG SER A 703 25.402 -22.019 11.077 1.00 0.00 O ATOM 0 H SER A 703 23.428 -23.780 10.968 1.00 0.00 H new ATOM 0 HA SER A 703 25.685 -25.299 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 703 26.954 -23.362 10.859 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.583 -23.630 9.800 1.00 0.00 H new ATOM 0 HG SER A 703 24.452 -22.049 11.315 1.00 0.00 H new ATOM 477 N LEU A 704 24.901 -22.891 13.760 1.00 0.00 N ATOM 478 CA LEU A 704 25.155 -22.385 15.103 1.00 0.00 C ATOM 479 C LEU A 704 24.904 -23.469 16.145 1.00 0.00 C ATOM 480 O LEU A 704 25.667 -23.613 17.102 1.00 0.00 O ATOM 481 CB LEU A 704 24.263 -21.174 15.394 1.00 0.00 C ATOM 482 CG LEU A 704 25.026 -19.871 15.121 1.00 0.00 C ATOM 483 CD1 LEU A 704 26.076 -19.649 16.215 1.00 0.00 C ATOM 484 CD2 LEU A 704 25.718 -19.937 13.753 1.00 0.00 C ATOM 0 H LEU A 704 24.129 -22.435 13.273 1.00 0.00 H new ATOM 0 HA LEU A 704 26.200 -22.081 15.157 1.00 0.00 H new ATOM 0 HB2 LEU A 704 23.368 -21.216 14.773 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.932 -21.199 16.432 1.00 0.00 H new ATOM 0 HG LEU A 704 24.318 -19.042 15.121 1.00 0.00 H new ATOM 0 HD11 LEU A 704 26.616 -18.723 16.018 1.00 0.00 H new ATOM 0 HD12 LEU A 704 25.583 -19.582 17.185 1.00 0.00 H new ATOM 0 HD13 LEU A 704 26.777 -20.484 16.221 1.00 0.00 H new ATOM 0 HD21 LEU A 704 26.256 -19.006 13.572 1.00 0.00 H new ATOM 0 HD22 LEU A 704 26.421 -20.770 13.740 1.00 0.00 H new ATOM 0 HD23 LEU A 704 24.970 -20.081 12.973 1.00 0.00 H new ATOM 496 N VAL A 705 23.829 -24.228 15.959 1.00 0.00 N ATOM 497 CA VAL A 705 23.488 -25.295 16.893 1.00 0.00 C ATOM 498 C VAL A 705 24.557 -26.384 16.875 1.00 0.00 C ATOM 499 O VAL A 705 24.956 -26.891 17.924 1.00 0.00 O ATOM 500 CB VAL A 705 22.136 -25.901 16.522 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.888 -27.153 17.366 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.030 -24.877 16.792 1.00 0.00 C ATOM 0 H VAL A 705 23.183 -24.126 15.176 1.00 0.00 H new ATOM 0 HA VAL A 705 23.433 -24.871 17.896 1.00 0.00 H new ATOM 0 HB VAL A 705 22.135 -26.170 15.466 1.00 0.00 H new ATOM 0 HG11 VAL A 705 20.923 -27.585 17.101 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.676 -27.882 17.177 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.888 -26.885 18.423 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.064 -25.307 16.528 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.032 -24.610 17.849 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.206 -23.984 16.192 1.00 0.00 H new ATOM 512 N ASN A 706 25.015 -26.738 15.679 1.00 0.00 N ATOM 513 CA ASN A 706 26.038 -27.769 15.539 1.00 0.00 C ATOM 514 C ASN A 706 27.307 -27.365 16.280 1.00 0.00 C ATOM 515 O ASN A 706 27.939 -28.187 16.945 1.00 0.00 O ATOM 516 CB ASN A 706 26.357 -27.992 14.060 1.00 0.00 C ATOM 517 CG ASN A 706 25.193 -28.697 13.373 1.00 0.00 C ATOM 518 OD1 ASN A 706 24.364 -29.323 14.034 1.00 0.00 O ATOM 519 ND2 ASN A 706 25.080 -28.631 12.074 1.00 0.00 N ATOM 0 H ASN A 706 24.698 -26.331 14.799 1.00 0.00 H new ATOM 0 HA ASN A 706 25.657 -28.695 15.970 1.00 0.00 H new ATOM 0 HB2 ASN A 706 26.551 -27.036 13.574 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.263 -28.590 13.962 1.00 0.00 H new ATOM 0 HD21 ASN A 706 24.304 -29.098 11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 706 25.768 -28.112 11.528 1.00 0.00 H new ATOM 526 N ARG A 707 27.678 -26.094 16.161 1.00 0.00 N ATOM 527 CA ARG A 707 28.875 -25.593 16.824 1.00 0.00 C ATOM 528 C ARG A 707 28.724 -25.674 18.340 1.00 0.00 C ATOM 529 O ARG A 707 29.628 -26.129 19.039 1.00 0.00 O ATOM 530 CB ARG A 707 29.131 -24.143 16.412 1.00 0.00 C ATOM 531 CG ARG A 707 30.404 -23.636 17.092 1.00 0.00 C ATOM 532 CD ARG A 707 30.686 -22.202 16.642 1.00 0.00 C ATOM 533 NE ARG A 707 31.881 -21.688 17.307 1.00 0.00 N ATOM 534 CZ ARG A 707 32.329 -20.450 17.090 1.00 0.00 C ATOM 535 NH1 ARG A 707 31.706 -19.646 16.265 1.00 0.00 N ATOM 536 NH2 ARG A 707 33.399 -20.034 17.709 1.00 0.00 N ATOM 0 H ARG A 707 27.171 -25.397 15.616 1.00 0.00 H new ATOM 0 HA ARG A 707 29.720 -26.212 16.522 1.00 0.00 H new ATOM 0 HB2 ARG A 707 29.233 -24.074 15.329 1.00 0.00 H new ATOM 0 HB3 ARG A 707 28.283 -23.519 16.693 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.290 -23.673 18.175 1.00 0.00 H new ATOM 0 HG3 ARG A 707 31.246 -24.280 16.838 1.00 0.00 H new ATOM 0 HD2 ARG A 707 30.822 -22.173 15.561 1.00 0.00 H new ATOM 0 HD3 ARG A 707 29.831 -21.566 16.873 1.00 0.00 H new ATOM 0 HE ARG A 707 32.387 -22.292 17.955 1.00 0.00 H new ATOM 0 HH11 ARG A 707 30.867 -19.964 15.779 1.00 0.00 H new ATOM 0 HH12 ARG A 707 32.059 -18.702 16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 707 33.888 -20.654 18.355 1.00 0.00 H new ATOM 0 HH22 ARG A 707 33.747 -19.089 17.547 1.00 0.00 H new ATOM 550 N VAL A 708 27.575 -25.229 18.839 1.00 0.00 N ATOM 551 CA VAL A 708 27.319 -25.256 20.276 1.00 0.00 C ATOM 552 C VAL A 708 27.361 -26.688 20.800 1.00 0.00 C ATOM 553 O VAL A 708 27.913 -26.951 21.868 1.00 0.00 O ATOM 554 CB VAL A 708 25.953 -24.639 20.573 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.595 -24.873 22.041 1.00 0.00 C ATOM 556 CG2 VAL A 708 26.005 -23.134 20.296 1.00 0.00 C ATOM 0 H VAL A 708 26.813 -24.849 18.277 1.00 0.00 H new ATOM 0 HA VAL A 708 28.094 -24.676 20.777 1.00 0.00 H new ATOM 0 HB VAL A 708 25.199 -25.102 19.937 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.621 -24.433 22.253 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.560 -25.944 22.241 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.349 -24.409 22.678 1.00 0.00 H new ATOM 0 HG21 VAL A 708 25.032 -22.691 20.507 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.759 -22.673 20.933 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.261 -22.965 19.250 1.00 0.00 H new ATOM 566 N ARG A 709 26.771 -27.608 20.043 1.00 0.00 N ATOM 567 CA ARG A 709 26.748 -29.012 20.442 1.00 0.00 C ATOM 568 C ARG A 709 28.158 -29.590 20.450 1.00 0.00 C ATOM 569 O ARG A 709 28.517 -30.366 21.336 1.00 0.00 O ATOM 570 CB ARG A 709 25.862 -29.807 19.480 1.00 0.00 C ATOM 571 CG ARG A 709 25.744 -31.255 19.962 1.00 0.00 C ATOM 572 CD ARG A 709 24.755 -32.013 19.075 1.00 0.00 C ATOM 573 NE ARG A 709 23.407 -31.477 19.243 1.00 0.00 N ATOM 574 CZ ARG A 709 22.381 -31.915 18.509 1.00 0.00 C ATOM 575 NH1 ARG A 709 22.553 -32.845 17.604 1.00 0.00 N ATOM 576 NH2 ARG A 709 21.192 -31.409 18.697 1.00 0.00 N ATOM 0 H ARG A 709 26.306 -27.410 19.157 1.00 0.00 H new ATOM 0 HA ARG A 709 26.341 -29.083 21.451 1.00 0.00 H new ATOM 0 HB2 ARG A 709 24.873 -29.352 19.421 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.285 -29.781 18.476 1.00 0.00 H new ATOM 0 HG2 ARG A 709 26.720 -31.739 19.932 1.00 0.00 H new ATOM 0 HG3 ARG A 709 25.409 -31.277 20.999 1.00 0.00 H new ATOM 0 HD2 ARG A 709 25.058 -31.933 18.031 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.766 -33.073 19.330 1.00 0.00 H new ATOM 0 HE ARG A 709 23.245 -30.749 19.939 1.00 0.00 H new ATOM 0 HH11 ARG A 709 23.479 -33.244 17.453 1.00 0.00 H new ATOM 0 HH12 ARG A 709 21.761 -33.171 17.050 1.00 0.00 H new ATOM 0 HH21 ARG A 709 21.052 -30.684 19.401 1.00 0.00 H new ATOM 0 HH22 ARG A 709 20.404 -31.739 18.140 1.00 0.00 H new ATOM 590 N GLN A 710 28.955 -29.208 19.457 1.00 0.00 N ATOM 591 CA GLN A 710 30.325 -29.695 19.361 1.00 0.00 C ATOM 592 C GLN A 710 31.194 -28.703 18.596 1.00 0.00 C ATOM 593 O GLN A 710 30.940 -28.413 17.426 1.00 0.00 O ATOM 594 CB GLN A 710 30.378 -31.048 18.644 1.00 0.00 C ATOM 595 CG GLN A 710 29.797 -32.146 19.535 1.00 0.00 C ATOM 596 CD GLN A 710 29.943 -33.498 18.842 1.00 0.00 C ATOM 597 OE1 GLN A 710 30.973 -33.769 18.224 1.00 0.00 O ATOM 598 NE2 GLN A 710 28.971 -34.366 18.906 1.00 0.00 N ATOM 0 H GLN A 710 28.678 -28.568 18.713 1.00 0.00 H new ATOM 0 HA GLN A 710 30.702 -29.809 20.377 1.00 0.00 H new ATOM 0 HB2 GLN A 710 29.818 -30.994 17.710 1.00 0.00 H new ATOM 0 HB3 GLN A 710 31.409 -31.289 18.384 1.00 0.00 H new ATOM 0 HG2 GLN A 710 30.313 -32.160 20.495 1.00 0.00 H new ATOM 0 HG3 GLN A 710 28.746 -31.943 19.741 1.00 0.00 H new ATOM 0 HE21 GLN A 710 28.118 -34.140 19.418 1.00 0.00 H new ATOM 0 HE22 GLN A 710 29.064 -35.271 18.444 1.00 0.00 H new ATOM 607 N GLY A 711 32.244 -28.211 19.241 1.00 0.00 N ATOM 608 CA GLY A 711 33.142 -27.277 18.577 1.00 0.00 C ATOM 609 C GLY A 711 33.759 -27.930 17.344 1.00 0.00 C ATOM 610 O GLY A 711 33.887 -27.300 16.299 1.00 0.00 O ATOM 0 H GLY A 711 32.491 -28.438 20.204 1.00 0.00 H new ATOM 0 HA2 GLY A 711 32.596 -26.379 18.288 1.00 0.00 H new ATOM 0 HA3 GLY A 711 33.928 -26.965 19.265 1.00 0.00 H new ATOM 614 N TYR A 712 34.122 -29.201 17.471 1.00 0.00 N ATOM 615 CA TYR A 712 34.705 -29.931 16.349 1.00 0.00 C ATOM 616 C TYR A 712 33.937 -31.224 16.103 1.00 0.00 C ATOM 617 O TYR A 712 33.955 -32.129 16.941 1.00 0.00 O ATOM 618 CB TYR A 712 36.172 -30.261 16.642 1.00 0.00 C ATOM 619 CG TYR A 712 36.735 -31.080 15.508 1.00 0.00 C ATOM 620 CD1 TYR A 712 36.897 -32.465 15.651 1.00 0.00 C ATOM 621 CD2 TYR A 712 37.097 -30.452 14.312 1.00 0.00 C ATOM 622 CE1 TYR A 712 37.420 -33.219 14.595 1.00 0.00 C ATOM 623 CE2 TYR A 712 37.620 -31.206 13.255 1.00 0.00 C ATOM 624 CZ TYR A 712 37.782 -32.589 13.397 1.00 0.00 C ATOM 625 OH TYR A 712 38.293 -33.332 12.355 1.00 0.00 O ATOM 0 H TYR A 712 34.025 -29.744 18.329 1.00 0.00 H new ATOM 0 HA TYR A 712 34.645 -29.303 15.460 1.00 0.00 H new ATOM 0 HB2 TYR A 712 36.746 -29.342 16.762 1.00 0.00 H new ATOM 0 HB3 TYR A 712 36.253 -30.812 17.579 1.00 0.00 H new ATOM 0 HD1 TYR A 712 36.618 -32.949 16.575 1.00 0.00 H new ATOM 0 HD2 TYR A 712 36.973 -29.385 14.204 1.00 0.00 H new ATOM 0 HE1 TYR A 712 37.545 -34.286 14.703 1.00 0.00 H new ATOM 0 HE2 TYR A 712 37.898 -30.721 12.331 1.00 0.00 H new ATOM 0 HH TYR A 712 38.491 -32.741 11.598 1.00 0.00 H new ATOM 635 N SER A 713 33.264 -31.328 14.956 1.00 0.00 N ATOM 636 CA SER A 713 32.521 -32.548 14.672 1.00 0.00 C ATOM 637 C SER A 713 32.366 -32.904 13.168 1.00 0.00 C ATOM 638 O SER A 713 31.320 -33.427 12.789 1.00 0.00 O ATOM 639 CB SER A 713 31.134 -32.424 15.300 1.00 0.00 C ATOM 640 OG SER A 713 30.409 -33.630 15.099 1.00 0.00 O ATOM 0 H SER A 713 33.219 -30.609 14.234 1.00 0.00 H new ATOM 0 HA SER A 713 33.108 -33.361 15.099 1.00 0.00 H new ATOM 0 HB2 SER A 713 31.224 -32.216 16.366 1.00 0.00 H new ATOM 0 HB3 SER A 713 30.596 -31.586 14.856 1.00 0.00 H new ATOM 0 HG SER A 713 30.210 -33.737 14.145 1.00 0.00 H new ATOM 646 N PRO A 714 33.359 -32.724 12.301 1.00 0.00 N ATOM 647 CA PRO A 714 33.216 -33.154 10.870 1.00 0.00 C ATOM 648 C PRO A 714 32.967 -34.660 10.787 1.00 0.00 C ATOM 649 O PRO A 714 33.611 -35.436 11.496 1.00 0.00 O ATOM 650 CB PRO A 714 34.568 -32.812 10.228 1.00 0.00 C ATOM 651 CG PRO A 714 35.190 -31.803 11.128 1.00 0.00 C ATOM 652 CD PRO A 714 34.678 -32.104 12.535 1.00 0.00 C ATOM 0 HA PRO A 714 32.378 -32.664 10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 714 35.196 -33.699 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 714 34.435 -32.413 9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 714 36.277 -31.866 11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 714 34.918 -30.792 10.824 1.00 0.00 H new ATOM 0 HD2 PRO A 714 35.348 -32.777 13.070 1.00 0.00 H new ATOM 0 HD3 PRO A 714 34.594 -31.197 13.133 1.00 0.00 H new ATOM 660 N LEU A 715 32.044 -35.076 9.925 1.00 0.00 N ATOM 661 CA LEU A 715 31.746 -36.498 9.779 1.00 0.00 C ATOM 662 C LEU A 715 31.846 -36.916 8.317 1.00 0.00 C ATOM 663 O LEU A 715 31.440 -36.176 7.421 1.00 0.00 O ATOM 664 CB LEU A 715 30.344 -36.810 10.319 1.00 0.00 C ATOM 665 CG LEU A 715 30.257 -36.436 11.804 1.00 0.00 C ATOM 666 CD1 LEU A 715 28.828 -36.649 12.306 1.00 0.00 C ATOM 667 CD2 LEU A 715 31.206 -37.324 12.617 1.00 0.00 C ATOM 0 H LEU A 715 31.496 -34.460 9.325 1.00 0.00 H new ATOM 0 HA LEU A 715 32.478 -37.062 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 715 29.596 -36.256 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 715 30.123 -37.869 10.189 1.00 0.00 H new ATOM 0 HG LEU A 715 30.538 -35.390 11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 715 28.770 -36.382 13.361 1.00 0.00 H new ATOM 0 HD12 LEU A 715 28.144 -36.021 11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 715 28.550 -37.696 12.180 1.00 0.00 H new ATOM 0 HD21 LEU A 715 31.142 -37.056 13.671 1.00 0.00 H new ATOM 0 HD22 LEU A 715 30.924 -38.369 12.491 1.00 0.00 H new ATOM 0 HD23 LEU A 715 32.228 -37.179 12.268 1.00 0.00 H new ATOM 679 N SER A 716 32.390 -38.105 8.086 1.00 0.00 N ATOM 680 CA SER A 716 32.542 -38.614 6.731 1.00 0.00 C ATOM 681 C SER A 716 32.877 -40.103 6.751 1.00 0.00 C ATOM 682 O SER A 716 32.319 -40.826 5.942 1.00 0.00 O ATOM 683 CB SER A 716 33.652 -37.847 6.013 1.00 0.00 C ATOM 684 OG SER A 716 34.738 -38.727 5.762 1.00 0.00 O ATOM 685 OXT SER A 716 33.688 -40.496 7.572 1.00 0.00 O ATOM 0 H SER A 716 32.731 -38.731 8.816 1.00 0.00 H new ATOM 0 HA SER A 716 31.600 -38.475 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 716 33.278 -37.434 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 716 33.983 -37.006 6.622 1.00 0.00 H new ATOM 0 HG SER A 716 35.453 -38.241 5.300 1.00 0.00 H new TER 691 SER A 716