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 Single : A 677 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.9!) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot -47:sc= 0.896 USER MOD Single : A 703 SER OG : rot 78:sc= 0.257 USER MOD Single : A 706 ASN : amide:sc= -0.0125 K(o=-0.013,f=-1.2!) USER MOD Single : A 710 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 180:sc= -0.0329 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 0.126 -7.743 -15.674 1.00 0.00 N ATOM 2 CA ASN A 677 0.840 -8.746 -14.835 1.00 0.00 C ATOM 3 C ASN A 677 2.101 -8.117 -14.251 1.00 0.00 C ATOM 4 O ASN A 677 3.071 -8.812 -13.949 1.00 0.00 O ATOM 5 CB ASN A 677 1.206 -9.958 -15.695 1.00 0.00 C ATOM 6 CG ASN A 677 1.853 -9.500 -16.997 1.00 0.00 C ATOM 7 OD1 ASN A 677 2.779 -8.689 -16.978 1.00 0.00 O ATOM 8 ND2 ASN A 677 1.418 -9.972 -18.132 1.00 0.00 N ATOM 0 HA ASN A 677 0.195 -9.069 -14.018 1.00 0.00 H new ATOM 0 HB2 ASN A 677 1.890 -10.608 -15.149 1.00 0.00 H new ATOM 0 HB3 ASN A 677 0.313 -10.544 -15.910 1.00 0.00 H new ATOM 0 HD21 ASN A 677 1.845 -9.669 -19.007 1.00 0.00 H new ATOM 0 HD22 ASN A 677 0.651 -10.644 -18.144 1.00 0.00 H new ATOM 17 N TRP A 678 2.062 -6.804 -14.049 1.00 0.00 N ATOM 18 CA TRP A 678 3.186 -6.098 -13.444 1.00 0.00 C ATOM 19 C TRP A 678 3.232 -6.354 -11.941 1.00 0.00 C ATOM 20 O TRP A 678 4.308 -6.509 -11.361 1.00 0.00 O ATOM 21 CB TRP A 678 3.066 -4.595 -13.712 1.00 0.00 C ATOM 22 CG TRP A 678 4.305 -3.900 -13.243 1.00 0.00 C ATOM 23 CD1 TRP A 678 5.410 -3.696 -13.995 1.00 0.00 C ATOM 24 CD2 TRP A 678 4.582 -3.307 -11.940 1.00 0.00 C ATOM 25 NE1 TRP A 678 6.350 -3.022 -13.237 1.00 0.00 N ATOM 26 CE2 TRP A 678 5.887 -2.759 -11.963 1.00 0.00 C ATOM 27 CE3 TRP A 678 3.838 -3.195 -10.751 1.00 0.00 C ATOM 28 CZ2 TRP A 678 6.433 -2.123 -10.849 1.00 0.00 C ATOM 29 CZ3 TRP A 678 4.385 -2.554 -9.628 1.00 0.00 C ATOM 30 CH2 TRP A 678 5.679 -2.018 -9.677 1.00 0.00 C ATOM 0 H TRP A 678 1.270 -6.210 -14.294 1.00 0.00 H new ATOM 0 HA TRP A 678 4.109 -6.469 -13.890 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.918 -4.416 -14.777 1.00 0.00 H new ATOM 0 HB3 TRP A 678 2.194 -4.192 -13.197 1.00 0.00 H new ATOM 0 HD1 TRP A 678 5.538 -4.009 -15.021 1.00 0.00 H new ATOM 0 HE1 TRP A 678 7.273 -2.752 -13.578 1.00 0.00 H new ATOM 0 HE3 TRP A 678 2.840 -3.605 -10.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 7.432 -1.714 -10.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 3.805 -2.473 -8.721 1.00 0.00 H new ATOM 0 HH2 TRP A 678 6.093 -1.524 -8.810 1.00 0.00 H new ATOM 41 N LEU A 679 2.060 -6.395 -11.316 1.00 0.00 N ATOM 42 CA LEU A 679 1.978 -6.633 -9.879 1.00 0.00 C ATOM 43 C LEU A 679 2.130 -8.120 -9.574 1.00 0.00 C ATOM 44 O LEU A 679 2.802 -8.501 -8.617 1.00 0.00 O ATOM 45 CB LEU A 679 0.631 -6.141 -9.345 1.00 0.00 C ATOM 46 CG LEU A 679 0.569 -4.613 -9.416 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.861 -4.150 -9.128 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.511 -4.015 -8.367 1.00 0.00 C ATOM 0 H LEU A 679 1.159 -6.268 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 679 2.786 -6.086 -9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.181 -6.574 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.495 -6.472 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 679 0.870 -4.283 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.908 -3.062 -9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.538 -4.577 -9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -1.157 -4.481 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.467 -2.927 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.206 -4.345 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.531 -4.347 -8.563 1.00 0.00 H new ATOM 60 N TRP A 680 1.500 -8.955 -10.396 1.00 0.00 N ATOM 61 CA TRP A 680 1.572 -10.399 -10.204 1.00 0.00 C ATOM 62 C TRP A 680 3.025 -10.861 -10.159 1.00 0.00 C ATOM 63 O TRP A 680 3.426 -11.599 -9.259 1.00 0.00 O ATOM 64 CB TRP A 680 0.841 -11.114 -11.341 1.00 0.00 C ATOM 65 CG TRP A 680 0.958 -12.592 -11.157 1.00 0.00 C ATOM 66 CD1 TRP A 680 1.757 -13.405 -11.885 1.00 0.00 C ATOM 67 CD2 TRP A 680 0.270 -13.447 -10.198 1.00 0.00 C ATOM 68 NE1 TRP A 680 1.603 -14.704 -11.435 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.698 -14.781 -10.396 1.00 0.00 C ATOM 70 CE3 TRP A 680 -0.675 -13.197 -9.186 1.00 0.00 C ATOM 71 CZ2 TRP A 680 0.206 -15.830 -9.618 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -1.171 -14.250 -8.401 1.00 0.00 C ATOM 73 CH2 TRP A 680 -0.732 -15.564 -8.616 1.00 0.00 C ATOM 0 H TRP A 680 0.939 -8.659 -11.195 1.00 0.00 H new ATOM 0 HA TRP A 680 1.095 -10.645 -9.255 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.209 -10.820 -11.354 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.266 -10.822 -12.301 1.00 0.00 H new ATOM 0 HD1 TRP A 680 2.409 -13.091 -12.687 1.00 0.00 H new ATOM 0 HE1 TRP A 680 2.098 -15.507 -11.824 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -1.021 -12.189 -9.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 0.547 -16.840 -9.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -1.896 -14.046 -7.626 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -1.118 -16.369 -8.009 1.00 0.00 H new ATOM 84 N TYR A 681 3.810 -10.421 -11.137 1.00 0.00 N ATOM 85 CA TYR A 681 5.218 -10.796 -11.200 1.00 0.00 C ATOM 86 C TYR A 681 5.994 -10.177 -10.042 1.00 0.00 C ATOM 87 O TYR A 681 6.954 -10.763 -9.544 1.00 0.00 O ATOM 88 CB TYR A 681 5.821 -10.328 -12.527 1.00 0.00 C ATOM 89 CG TYR A 681 7.223 -10.870 -12.662 1.00 0.00 C ATOM 90 CD1 TYR A 681 7.427 -12.182 -13.106 1.00 0.00 C ATOM 91 CD2 TYR A 681 8.320 -10.060 -12.345 1.00 0.00 C ATOM 92 CE1 TYR A 681 8.728 -12.684 -13.233 1.00 0.00 C ATOM 93 CE2 TYR A 681 9.621 -10.562 -12.471 1.00 0.00 C ATOM 94 CZ TYR A 681 9.825 -11.874 -12.916 1.00 0.00 C ATOM 95 OH TYR A 681 11.107 -12.369 -13.041 1.00 0.00 O ATOM 0 H TYR A 681 3.498 -9.809 -11.891 1.00 0.00 H new ATOM 0 HA TYR A 681 5.288 -11.881 -11.128 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.206 -10.670 -13.359 1.00 0.00 H new ATOM 0 HB3 TYR A 681 5.835 -9.239 -12.568 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.581 -12.807 -13.351 1.00 0.00 H new ATOM 0 HD2 TYR A 681 8.163 -9.048 -12.003 1.00 0.00 H new ATOM 0 HE1 TYR A 681 8.885 -13.696 -13.576 1.00 0.00 H new ATOM 0 HE2 TYR A 681 10.467 -9.937 -12.225 1.00 0.00 H new ATOM 0 HH TYR A 681 11.751 -11.678 -12.782 1.00 0.00 H new ATOM 105 N ILE A 682 5.570 -8.992 -9.619 1.00 0.00 N ATOM 106 CA ILE A 682 6.235 -8.304 -8.517 1.00 0.00 C ATOM 107 C ILE A 682 6.081 -9.097 -7.222 1.00 0.00 C ATOM 108 O ILE A 682 7.033 -9.248 -6.459 1.00 0.00 O ATOM 109 CB ILE A 682 5.680 -6.889 -8.339 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.274 -5.972 -9.417 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.045 -6.362 -6.945 1.00 0.00 C ATOM 112 CD1 ILE A 682 7.688 -5.536 -9.018 1.00 0.00 C ATOM 0 H ILE A 682 4.776 -8.490 -10.017 1.00 0.00 H new ATOM 0 HA ILE A 682 7.295 -8.227 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 682 4.595 -6.907 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 682 6.302 -6.494 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.639 -5.096 -9.550 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.648 -5.354 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 682 5.617 -7.016 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.129 -6.341 -6.836 1.00 0.00 H new ATOM 0 HD11 ILE A 682 8.100 -4.886 -9.790 1.00 0.00 H new ATOM 0 HD12 ILE A 682 7.649 -4.996 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 682 8.322 -6.415 -8.908 1.00 0.00 H new ATOM 124 N ARG A 683 4.874 -9.601 -6.984 1.00 0.00 N ATOM 125 CA ARG A 683 4.605 -10.377 -5.779 1.00 0.00 C ATOM 126 C ARG A 683 5.452 -11.647 -5.763 1.00 0.00 C ATOM 127 O ARG A 683 6.046 -11.996 -4.741 1.00 0.00 O ATOM 128 CB ARG A 683 3.121 -10.753 -5.718 1.00 0.00 C ATOM 129 CG ARG A 683 2.261 -9.494 -5.550 1.00 0.00 C ATOM 130 CD ARG A 683 2.460 -8.900 -4.151 1.00 0.00 C ATOM 131 NE ARG A 683 1.548 -7.776 -3.950 1.00 0.00 N ATOM 132 CZ ARG A 683 0.280 -7.954 -3.572 1.00 0.00 C ATOM 133 NH1 ARG A 683 -0.202 -9.156 -3.375 1.00 0.00 N ATOM 134 NH2 ARG A 683 -0.490 -6.916 -3.396 1.00 0.00 N ATOM 0 H ARG A 683 4.072 -9.487 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 683 4.861 -9.768 -4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.834 -11.279 -6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.945 -11.436 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 683 2.530 -8.758 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 683 1.210 -9.740 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 683 2.281 -9.664 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 683 3.491 -8.568 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 683 1.890 -6.827 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 683 0.394 -9.973 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -1.173 -9.275 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -0.122 -5.977 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -1.460 -7.044 -3.107 1.00 0.00 H new ATOM 148 N ILE A 684 5.503 -12.336 -6.898 1.00 0.00 N ATOM 149 CA ILE A 684 6.281 -13.564 -7.001 1.00 0.00 C ATOM 150 C ILE A 684 7.742 -13.302 -6.654 1.00 0.00 C ATOM 151 O ILE A 684 8.351 -14.047 -5.886 1.00 0.00 O ATOM 152 CB ILE A 684 6.184 -14.127 -8.421 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.760 -14.631 -8.672 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.171 -15.286 -8.580 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.582 -14.937 -10.161 1.00 0.00 C ATOM 0 H ILE A 684 5.018 -12.067 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 684 5.876 -14.289 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 684 6.426 -13.344 -9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 684 4.570 -15.527 -8.081 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.036 -13.880 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 684 7.102 -15.687 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.185 -14.928 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.930 -16.070 -7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.568 -15.296 -10.340 1.00 0.00 H new ATOM 0 HD12 ILE A 684 4.754 -14.031 -10.742 1.00 0.00 H new ATOM 0 HD13 ILE A 684 5.297 -15.703 -10.463 1.00 0.00 H new ATOM 167 N PHE A 685 8.300 -12.241 -7.227 1.00 0.00 N ATOM 168 CA PHE A 685 9.693 -11.892 -6.968 1.00 0.00 C ATOM 169 C PHE A 685 9.927 -11.702 -5.473 1.00 0.00 C ATOM 170 O PHE A 685 10.922 -12.174 -4.925 1.00 0.00 O ATOM 171 CB PHE A 685 10.055 -10.603 -7.711 1.00 0.00 C ATOM 172 CG PHE A 685 11.485 -10.227 -7.402 1.00 0.00 C ATOM 173 CD1 PHE A 685 12.537 -10.883 -8.052 1.00 0.00 C ATOM 174 CD2 PHE A 685 11.758 -9.222 -6.468 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.863 -10.535 -7.766 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.084 -8.873 -6.182 1.00 0.00 C ATOM 177 CZ PHE A 685 14.136 -9.530 -6.831 1.00 0.00 C ATOM 0 H PHE A 685 7.815 -11.613 -7.868 1.00 0.00 H new ATOM 0 HA PHE A 685 10.325 -12.706 -7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.928 -10.742 -8.785 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.384 -9.798 -7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 685 12.326 -11.658 -8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 685 10.946 -8.715 -5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 685 14.675 -11.042 -8.267 1.00 0.00 H new ATOM 0 HE2 PHE A 685 13.295 -8.097 -5.461 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.158 -9.261 -6.610 1.00 0.00 H new ATOM 187 N ILE A 686 9.001 -11.007 -4.818 1.00 0.00 N ATOM 188 CA ILE A 686 9.117 -10.763 -3.384 1.00 0.00 C ATOM 189 C ILE A 686 9.131 -12.081 -2.619 1.00 0.00 C ATOM 190 O ILE A 686 9.958 -12.286 -1.730 1.00 0.00 O ATOM 191 CB ILE A 686 7.946 -9.903 -2.904 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.081 -8.492 -3.481 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.959 -9.832 -1.377 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.787 -7.715 -3.236 1.00 0.00 C ATOM 0 H ILE A 686 8.170 -10.606 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 686 10.053 -10.237 -3.197 1.00 0.00 H new ATOM 0 HB ILE A 686 7.008 -10.345 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.921 -7.976 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.290 -8.543 -4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.125 -9.219 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.865 -10.837 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.897 -9.389 -1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.883 -6.710 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 686 5.957 -8.228 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.598 -7.652 -2.164 1.00 0.00 H new ATOM 206 N ILE A 687 8.210 -12.972 -2.970 1.00 0.00 N ATOM 207 CA ILE A 687 8.124 -14.269 -2.310 1.00 0.00 C ATOM 208 C ILE A 687 9.413 -15.058 -2.511 1.00 0.00 C ATOM 209 O ILE A 687 9.935 -15.662 -1.575 1.00 0.00 O ATOM 210 CB ILE A 687 6.946 -15.068 -2.880 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.610 -14.417 -2.481 1.00 0.00 C ATOM 212 CG2 ILE A 687 6.998 -16.501 -2.346 1.00 0.00 C ATOM 213 CD1 ILE A 687 5.324 -14.617 -0.985 1.00 0.00 C ATOM 0 H ILE A 687 7.517 -12.821 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 687 7.972 -14.103 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 687 7.019 -15.076 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.638 -13.352 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 687 4.801 -14.849 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.161 -17.071 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.935 -16.968 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.935 -16.486 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 687 4.374 -14.147 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 687 5.272 -15.683 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 687 6.122 -14.163 -0.398 1.00 0.00 H new ATOM 225 N ILE A 688 9.922 -15.047 -3.740 1.00 0.00 N ATOM 226 CA ILE A 688 11.153 -15.764 -4.053 1.00 0.00 C ATOM 227 C ILE A 688 12.295 -15.291 -3.160 1.00 0.00 C ATOM 228 O ILE A 688 13.060 -16.100 -2.635 1.00 0.00 O ATOM 229 CB ILE A 688 11.526 -15.550 -5.521 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.514 -16.272 -6.414 1.00 0.00 C ATOM 231 CG2 ILE A 688 12.926 -16.112 -5.779 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.708 -15.830 -7.866 1.00 0.00 C ATOM 0 H ILE A 688 9.505 -14.554 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 688 10.985 -16.826 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 688 11.515 -14.484 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.644 -17.351 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.499 -16.047 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.192 -15.960 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.647 -15.599 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 688 12.937 -17.178 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 688 9.987 -16.344 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.556 -14.753 -7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.719 -16.077 -8.190 1.00 0.00 H new ATOM 244 N VAL A 689 12.405 -13.977 -2.994 1.00 0.00 N ATOM 245 CA VAL A 689 13.459 -13.407 -2.161 1.00 0.00 C ATOM 246 C VAL A 689 13.305 -13.863 -0.713 1.00 0.00 C ATOM 247 O VAL A 689 14.270 -14.288 -0.080 1.00 0.00 O ATOM 248 CB VAL A 689 13.409 -11.881 -2.227 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.363 -11.293 -1.187 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.830 -11.418 -3.624 1.00 0.00 C ATOM 0 H VAL A 689 11.783 -13.291 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 689 14.421 -13.754 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 689 12.394 -11.542 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.327 -10.205 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.065 -11.623 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.379 -11.632 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.795 -10.330 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.845 -11.758 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.150 -11.836 -4.366 1.00 0.00 H new ATOM 260 N GLY A 690 12.084 -13.769 -0.194 1.00 0.00 N ATOM 261 CA GLY A 690 11.819 -14.174 1.181 1.00 0.00 C ATOM 262 C GLY A 690 12.145 -15.650 1.379 1.00 0.00 C ATOM 263 O GLY A 690 12.697 -16.042 2.406 1.00 0.00 O ATOM 0 H GLY A 690 11.270 -13.419 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.415 -13.570 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.772 -13.992 1.424 1.00 0.00 H new ATOM 267 N SER A 691 11.803 -16.466 0.386 1.00 0.00 N ATOM 268 CA SER A 691 12.065 -17.898 0.462 1.00 0.00 C ATOM 269 C SER A 691 13.565 -18.161 0.572 1.00 0.00 C ATOM 270 O SER A 691 14.000 -19.002 1.357 1.00 0.00 O ATOM 271 CB SER A 691 11.487 -18.637 -0.749 1.00 0.00 C ATOM 272 OG SER A 691 12.186 -18.260 -1.923 1.00 0.00 O ATOM 0 H SER A 691 11.347 -16.162 -0.474 1.00 0.00 H new ATOM 0 HA SER A 691 11.571 -18.278 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 691 11.564 -19.714 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.427 -18.405 -0.856 1.00 0.00 H new ATOM 0 HG SER A 691 12.278 -17.285 -1.950 1.00 0.00 H new ATOM 278 N LEU A 692 14.348 -17.436 -0.221 1.00 0.00 N ATOM 279 CA LEU A 692 15.795 -17.601 -0.202 1.00 0.00 C ATOM 280 C LEU A 692 16.366 -17.155 1.141 1.00 0.00 C ATOM 281 O LEU A 692 17.243 -17.811 1.702 1.00 0.00 O ATOM 282 CB LEU A 692 16.428 -16.779 -1.331 1.00 0.00 C ATOM 283 CG LEU A 692 17.953 -16.942 -1.313 1.00 0.00 C ATOM 284 CD1 LEU A 692 18.323 -18.407 -1.551 1.00 0.00 C ATOM 285 CD2 LEU A 692 18.566 -16.078 -2.418 1.00 0.00 C ATOM 0 H LEU A 692 14.008 -16.735 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 692 16.026 -18.656 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.032 -17.103 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 692 16.166 -15.727 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 692 18.337 -16.629 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 692 19.408 -18.515 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 692 17.886 -19.025 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 692 17.939 -18.726 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 692 19.650 -16.191 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.176 -16.394 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 692 18.309 -15.033 -2.247 1.00 0.00 H new ATOM 297 N ILE A 693 15.860 -16.034 1.651 1.00 0.00 N ATOM 298 CA ILE A 693 16.326 -15.509 2.927 1.00 0.00 C ATOM 299 C ILE A 693 16.041 -16.500 4.053 1.00 0.00 C ATOM 300 O ILE A 693 16.874 -16.707 4.935 1.00 0.00 O ATOM 301 CB ILE A 693 15.635 -14.178 3.228 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.127 -13.115 2.244 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.965 -13.743 4.656 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.248 -11.868 2.357 1.00 0.00 C ATOM 0 H ILE A 693 15.133 -15.477 1.202 1.00 0.00 H new ATOM 0 HA ILE A 693 17.403 -15.352 2.862 1.00 0.00 H new ATOM 0 HB ILE A 693 14.556 -14.297 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.166 -12.861 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.095 -13.504 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.473 -12.795 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.615 -14.500 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 693 17.043 -13.624 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.599 -11.111 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.216 -12.128 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.302 -11.475 3.372 1.00 0.00 H new ATOM 316 N GLY A 694 14.860 -17.109 4.013 1.00 0.00 N ATOM 317 CA GLY A 694 14.474 -18.077 5.033 1.00 0.00 C ATOM 318 C GLY A 694 15.386 -19.301 4.984 1.00 0.00 C ATOM 319 O GLY A 694 15.879 -19.760 6.014 1.00 0.00 O ATOM 0 H GLY A 694 14.158 -16.951 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.528 -17.616 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.439 -18.382 4.880 1.00 0.00 H new ATOM 323 N LEU A 695 15.603 -19.823 3.782 1.00 0.00 N ATOM 324 CA LEU A 695 16.456 -20.993 3.612 1.00 0.00 C ATOM 325 C LEU A 695 17.829 -20.746 4.229 1.00 0.00 C ATOM 326 O LEU A 695 18.357 -21.590 4.950 1.00 0.00 O ATOM 327 CB LEU A 695 16.614 -21.317 2.123 1.00 0.00 C ATOM 328 CG LEU A 695 15.296 -21.860 1.566 1.00 0.00 C ATOM 329 CD1 LEU A 695 15.382 -21.935 0.039 1.00 0.00 C ATOM 330 CD2 LEU A 695 15.038 -23.263 2.128 1.00 0.00 C ATOM 0 H LEU A 695 15.204 -19.458 2.917 1.00 0.00 H new ATOM 0 HA LEU A 695 15.987 -21.837 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 695 16.909 -20.421 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.408 -22.051 1.984 1.00 0.00 H new ATOM 0 HG LEU A 695 14.481 -21.197 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 695 14.444 -22.322 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 695 15.565 -20.939 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.199 -22.598 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 695 14.099 -23.647 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 695 15.853 -23.926 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 695 14.978 -23.214 3.215 1.00 0.00 H new ATOM 342 N ARG A 696 18.399 -19.582 3.941 1.00 0.00 N ATOM 343 CA ARG A 696 19.712 -19.233 4.473 1.00 0.00 C ATOM 344 C ARG A 696 19.674 -19.171 5.998 1.00 0.00 C ATOM 345 O ARG A 696 20.553 -19.707 6.671 1.00 0.00 O ATOM 346 CB ARG A 696 20.157 -17.880 3.915 1.00 0.00 C ATOM 347 CG ARG A 696 21.547 -17.535 4.453 1.00 0.00 C ATOM 348 CD ARG A 696 22.030 -16.230 3.819 1.00 0.00 C ATOM 349 NE ARG A 696 23.336 -15.860 4.356 1.00 0.00 N ATOM 350 CZ ARG A 696 24.466 -16.403 3.898 1.00 0.00 C ATOM 351 NH1 ARG A 696 24.443 -17.303 2.947 1.00 0.00 N ATOM 352 NH2 ARG A 696 25.610 -16.031 4.405 1.00 0.00 N ATOM 0 H ARG A 696 17.977 -18.868 3.347 1.00 0.00 H new ATOM 0 HA ARG A 696 20.423 -20.002 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 696 20.175 -17.913 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 696 19.444 -17.106 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 696 21.514 -17.434 5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 696 22.246 -18.341 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 696 22.093 -16.345 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 696 21.310 -15.435 4.014 1.00 0.00 H new ATOM 0 HE ARG A 696 23.386 -15.167 5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 696 23.553 -17.598 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 696 25.315 -17.709 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 696 25.636 -15.330 5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 696 26.478 -16.441 4.061 1.00 0.00 H new ATOM 366 N ILE A 697 18.651 -18.513 6.534 1.00 0.00 N ATOM 367 CA ILE A 697 18.512 -18.388 7.980 1.00 0.00 C ATOM 368 C ILE A 697 18.476 -19.765 8.637 1.00 0.00 C ATOM 369 O ILE A 697 19.143 -20.000 9.645 1.00 0.00 O ATOM 370 CB ILE A 697 17.227 -17.624 8.320 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.370 -16.144 7.926 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.953 -17.731 9.823 1.00 0.00 C ATOM 373 CD1 ILE A 697 18.271 -15.405 8.922 1.00 0.00 C ATOM 0 H ILE A 697 17.912 -18.062 5.994 1.00 0.00 H new ATOM 0 HA ILE A 697 19.373 -17.838 8.361 1.00 0.00 H new ATOM 0 HB ILE A 697 16.396 -18.059 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 697 17.789 -16.068 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 697 16.387 -15.673 7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.040 -17.188 10.066 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.836 -18.779 10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.788 -17.302 10.377 1.00 0.00 H new ATOM 0 HD11 ILE A 697 18.360 -14.360 8.626 1.00 0.00 H new ATOM 0 HD12 ILE A 697 17.836 -15.464 9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 697 19.259 -15.865 8.930 1.00 0.00 H new ATOM 385 N VAL A 698 17.692 -20.670 8.060 1.00 0.00 N ATOM 386 CA VAL A 698 17.575 -22.019 8.598 1.00 0.00 C ATOM 387 C VAL A 698 18.942 -22.691 8.658 1.00 0.00 C ATOM 388 O VAL A 698 19.295 -23.319 9.655 1.00 0.00 O ATOM 389 CB VAL A 698 16.632 -22.850 7.727 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.696 -24.316 8.158 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.202 -22.332 7.890 1.00 0.00 C ATOM 0 H VAL A 698 17.132 -20.495 7.226 1.00 0.00 H new ATOM 0 HA VAL A 698 17.170 -21.953 9.608 1.00 0.00 H new ATOM 0 HB VAL A 698 16.933 -22.767 6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 698 16.024 -24.908 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.715 -24.685 8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.395 -24.402 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.528 -22.923 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.901 -22.416 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.156 -21.287 7.582 1.00 0.00 H new ATOM 401 N PHE A 699 19.707 -22.552 7.580 1.00 0.00 N ATOM 402 CA PHE A 699 21.036 -23.149 7.515 1.00 0.00 C ATOM 403 C PHE A 699 21.943 -22.545 8.582 1.00 0.00 C ATOM 404 O PHE A 699 22.713 -23.254 9.229 1.00 0.00 O ATOM 405 CB PHE A 699 21.656 -22.931 6.133 1.00 0.00 C ATOM 406 CG PHE A 699 21.073 -23.922 5.154 1.00 0.00 C ATOM 407 CD1 PHE A 699 20.277 -23.476 4.092 1.00 0.00 C ATOM 408 CD2 PHE A 699 21.327 -25.291 5.311 1.00 0.00 C ATOM 409 CE1 PHE A 699 19.737 -24.396 3.187 1.00 0.00 C ATOM 410 CE2 PHE A 699 20.786 -26.211 4.404 1.00 0.00 C ATOM 411 CZ PHE A 699 19.991 -25.764 3.343 1.00 0.00 C ATOM 0 H PHE A 699 19.432 -22.035 6.745 1.00 0.00 H new ATOM 0 HA PHE A 699 20.936 -24.219 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 699 21.464 -21.913 5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 699 22.738 -23.050 6.186 1.00 0.00 H new ATOM 0 HD1 PHE A 699 20.080 -22.421 3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 699 21.939 -25.637 6.131 1.00 0.00 H new ATOM 0 HE1 PHE A 699 19.124 -24.051 2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 699 20.983 -27.266 4.524 1.00 0.00 H new ATOM 0 HZ PHE A 699 19.573 -26.474 2.645 1.00 0.00 H new ATOM 421 N ALA A 700 21.844 -21.232 8.759 1.00 0.00 N ATOM 422 CA ALA A 700 22.659 -20.543 9.752 1.00 0.00 C ATOM 423 C ALA A 700 22.336 -21.049 11.154 1.00 0.00 C ATOM 424 O ALA A 700 23.233 -21.266 11.969 1.00 0.00 O ATOM 425 CB ALA A 700 22.410 -19.036 9.680 1.00 0.00 C ATOM 0 H ALA A 700 21.213 -20.628 8.233 1.00 0.00 H new ATOM 0 HA ALA A 700 23.708 -20.746 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.023 -18.530 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.671 -18.671 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.358 -18.831 9.876 1.00 0.00 H new ATOM 431 N VAL A 701 21.049 -21.236 11.427 1.00 0.00 N ATOM 432 CA VAL A 701 20.618 -21.717 12.734 1.00 0.00 C ATOM 433 C VAL A 701 21.192 -23.104 13.006 1.00 0.00 C ATOM 434 O VAL A 701 21.682 -23.380 14.101 1.00 0.00 O ATOM 435 CB VAL A 701 19.092 -21.772 12.794 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.656 -22.486 14.075 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.530 -20.348 12.790 1.00 0.00 C ATOM 0 H VAL A 701 20.292 -21.063 10.766 1.00 0.00 H new ATOM 0 HA VAL A 701 20.984 -21.028 13.495 1.00 0.00 H new ATOM 0 HB VAL A 701 18.715 -22.316 11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.568 -22.525 14.117 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.056 -23.500 14.081 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.034 -21.942 14.941 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.442 -20.386 12.833 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.908 -19.805 13.656 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.840 -19.837 11.878 1.00 0.00 H new ATOM 447 N LEU A 702 21.126 -23.973 12.002 1.00 0.00 N ATOM 448 CA LEU A 702 21.640 -25.330 12.143 1.00 0.00 C ATOM 449 C LEU A 702 23.144 -25.309 12.406 1.00 0.00 C ATOM 450 O LEU A 702 23.645 -26.042 13.258 1.00 0.00 O ATOM 451 CB LEU A 702 21.349 -26.131 10.869 1.00 0.00 C ATOM 452 CG LEU A 702 21.903 -27.556 11.002 1.00 0.00 C ATOM 453 CD1 LEU A 702 21.215 -28.274 12.167 1.00 0.00 C ATOM 454 CD2 LEU A 702 21.637 -28.325 9.706 1.00 0.00 C ATOM 0 H LEU A 702 20.724 -23.763 11.088 1.00 0.00 H new ATOM 0 HA LEU A 702 21.144 -25.803 12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 702 20.274 -26.166 10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.800 -25.636 10.009 1.00 0.00 H new ATOM 0 HG LEU A 702 22.976 -27.509 11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 702 21.612 -29.285 12.257 1.00 0.00 H new ATOM 0 HD12 LEU A 702 21.401 -27.728 13.092 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.142 -28.321 11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 702 22.029 -29.338 9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 702 20.564 -28.367 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 702 22.128 -27.819 8.875 1.00 0.00 H new ATOM 466 N SER A 703 23.857 -24.465 11.667 1.00 0.00 N ATOM 467 CA SER A 703 25.302 -24.360 11.831 1.00 0.00 C ATOM 468 C SER A 703 25.649 -23.895 13.242 1.00 0.00 C ATOM 469 O SER A 703 26.590 -24.397 13.858 1.00 0.00 O ATOM 470 CB SER A 703 25.872 -23.372 10.813 1.00 0.00 C ATOM 471 OG SER A 703 25.700 -23.897 9.504 1.00 0.00 O ATOM 0 H SER A 703 23.463 -23.850 10.956 1.00 0.00 H new ATOM 0 HA SER A 703 25.740 -25.345 11.667 1.00 0.00 H new ATOM 0 HB2 SER A 703 25.368 -22.410 10.901 1.00 0.00 H new ATOM 0 HB3 SER A 703 26.929 -23.197 11.011 1.00 0.00 H new ATOM 0 HG SER A 703 24.771 -23.768 9.219 1.00 0.00 H new ATOM 477 N LEU A 704 24.880 -22.936 13.748 1.00 0.00 N ATOM 478 CA LEU A 704 25.112 -22.409 15.087 1.00 0.00 C ATOM 479 C LEU A 704 24.894 -23.492 16.140 1.00 0.00 C ATOM 480 O LEU A 704 25.668 -23.613 17.090 1.00 0.00 O ATOM 481 CB LEU A 704 24.167 -21.232 15.353 1.00 0.00 C ATOM 482 CG LEU A 704 24.397 -20.676 16.763 1.00 0.00 C ATOM 483 CD1 LEU A 704 25.830 -20.154 16.891 1.00 0.00 C ATOM 484 CD2 LEU A 704 23.416 -19.531 17.022 1.00 0.00 C ATOM 0 H LEU A 704 24.096 -22.510 13.254 1.00 0.00 H new ATOM 0 HA LEU A 704 26.145 -22.068 15.149 1.00 0.00 H new ATOM 0 HB2 LEU A 704 24.333 -20.448 14.614 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.132 -21.556 15.246 1.00 0.00 H new ATOM 0 HG LEU A 704 24.238 -21.471 17.492 1.00 0.00 H new ATOM 0 HD11 LEU A 704 25.986 -19.761 17.896 1.00 0.00 H new ATOM 0 HD12 LEU A 704 26.531 -20.968 16.707 1.00 0.00 H new ATOM 0 HD13 LEU A 704 25.995 -19.361 16.161 1.00 0.00 H new ATOM 0 HD21 LEU A 704 23.577 -19.134 18.024 1.00 0.00 H new ATOM 0 HD22 LEU A 704 23.577 -18.741 16.288 1.00 0.00 H new ATOM 0 HD23 LEU A 704 22.394 -19.901 16.939 1.00 0.00 H new ATOM 496 N VAL A 705 23.834 -24.276 15.965 1.00 0.00 N ATOM 497 CA VAL A 705 23.525 -25.344 16.909 1.00 0.00 C ATOM 498 C VAL A 705 24.637 -26.390 16.916 1.00 0.00 C ATOM 499 O VAL A 705 25.038 -26.875 17.975 1.00 0.00 O ATOM 500 CB VAL A 705 22.199 -26.006 16.531 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.995 -27.259 17.385 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.052 -25.026 16.782 1.00 0.00 C ATOM 0 H VAL A 705 23.181 -24.193 15.186 1.00 0.00 H new ATOM 0 HA VAL A 705 23.443 -24.912 17.906 1.00 0.00 H new ATOM 0 HB VAL A 705 22.217 -26.283 15.477 1.00 0.00 H new ATOM 0 HG11 VAL A 705 21.050 -27.732 17.117 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.813 -27.957 17.208 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.976 -26.982 18.439 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.106 -25.496 16.513 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.033 -24.750 17.836 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.198 -24.132 16.176 1.00 0.00 H new ATOM 512 N ASN A 706 25.127 -26.733 15.731 1.00 0.00 N ATOM 513 CA ASN A 706 26.194 -27.721 15.613 1.00 0.00 C ATOM 514 C ASN A 706 27.437 -27.258 16.365 1.00 0.00 C ATOM 515 O ASN A 706 28.085 -28.043 17.056 1.00 0.00 O ATOM 516 CB ASN A 706 26.539 -27.946 14.140 1.00 0.00 C ATOM 517 CG ASN A 706 27.468 -29.146 13.999 1.00 0.00 C ATOM 518 OD1 ASN A 706 27.353 -30.112 14.752 1.00 0.00 O ATOM 519 ND2 ASN A 706 28.386 -29.142 13.073 1.00 0.00 N ATOM 0 H ASN A 706 24.806 -26.345 14.844 1.00 0.00 H new ATOM 0 HA ASN A 706 25.847 -28.657 16.050 1.00 0.00 H new ATOM 0 HB2 ASN A 706 25.627 -28.112 13.566 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.016 -27.056 13.730 1.00 0.00 H new ATOM 0 HD21 ASN A 706 29.011 -29.941 12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 706 28.479 -28.340 12.450 1.00 0.00 H new ATOM 526 N ARG A 707 27.762 -25.977 16.226 1.00 0.00 N ATOM 527 CA ARG A 707 28.928 -25.418 16.899 1.00 0.00 C ATOM 528 C ARG A 707 28.768 -25.501 18.413 1.00 0.00 C ATOM 529 O ARG A 707 29.693 -25.894 19.124 1.00 0.00 O ATOM 530 CB ARG A 707 29.124 -23.958 16.481 1.00 0.00 C ATOM 531 CG ARG A 707 29.566 -23.902 15.017 1.00 0.00 C ATOM 532 CD ARG A 707 29.686 -22.443 14.575 1.00 0.00 C ATOM 533 NE ARG A 707 30.719 -21.763 15.351 1.00 0.00 N ATOM 534 CZ ARG A 707 32.015 -21.876 15.051 1.00 0.00 C ATOM 535 NH1 ARG A 707 32.410 -22.616 14.045 1.00 0.00 N ATOM 536 NH2 ARG A 707 32.900 -21.239 15.768 1.00 0.00 N ATOM 0 H ARG A 707 27.239 -25.311 15.658 1.00 0.00 H new ATOM 0 HA ARG A 707 29.803 -25.999 16.608 1.00 0.00 H new ATOM 0 HB2 ARG A 707 28.195 -23.403 16.613 1.00 0.00 H new ATOM 0 HB3 ARG A 707 29.872 -23.484 17.116 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.523 -24.410 14.895 1.00 0.00 H new ATOM 0 HG3 ARG A 707 28.845 -24.425 14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 707 29.929 -22.396 13.513 1.00 0.00 H new ATOM 0 HD3 ARG A 707 28.730 -21.936 14.706 1.00 0.00 H new ATOM 0 HE ARG A 707 30.443 -21.185 16.145 1.00 0.00 H new ATOM 0 HH11 ARG A 707 31.724 -23.115 13.479 1.00 0.00 H new ATOM 0 HH12 ARG A 707 33.404 -22.693 13.828 1.00 0.00 H new ATOM 0 HH21 ARG A 707 32.600 -20.659 16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 707 33.892 -21.321 15.545 1.00 0.00 H new ATOM 550 N VAL A 708 27.586 -25.133 18.901 1.00 0.00 N ATOM 551 CA VAL A 708 27.319 -25.171 20.334 1.00 0.00 C ATOM 552 C VAL A 708 27.400 -26.601 20.856 1.00 0.00 C ATOM 553 O VAL A 708 27.961 -26.851 21.924 1.00 0.00 O ATOM 554 CB VAL A 708 25.930 -24.599 20.622 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.569 -24.849 22.087 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.931 -23.095 20.347 1.00 0.00 C ATOM 0 H VAL A 708 26.805 -24.808 18.331 1.00 0.00 H new ATOM 0 HA VAL A 708 28.072 -24.568 20.841 1.00 0.00 H new ATOM 0 HB VAL A 708 25.197 -25.086 19.979 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.579 -24.441 22.292 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.568 -25.921 22.284 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.302 -24.363 22.730 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.941 -22.687 20.552 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.665 -22.608 20.990 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.188 -22.916 19.303 1.00 0.00 H new ATOM 566 N ARG A 709 26.841 -27.536 20.096 1.00 0.00 N ATOM 567 CA ARG A 709 26.859 -28.941 20.492 1.00 0.00 C ATOM 568 C ARG A 709 28.288 -29.471 20.519 1.00 0.00 C ATOM 569 O ARG A 709 28.642 -30.282 21.374 1.00 0.00 O ATOM 570 CB ARG A 709 26.021 -29.776 19.518 1.00 0.00 C ATOM 571 CG ARG A 709 24.534 -29.421 19.651 1.00 0.00 C ATOM 572 CD ARG A 709 23.980 -29.952 20.977 1.00 0.00 C ATOM 573 NE ARG A 709 22.544 -29.697 21.059 1.00 0.00 N ATOM 574 CZ ARG A 709 22.054 -28.534 21.496 1.00 0.00 C ATOM 575 NH1 ARG A 709 22.850 -27.559 21.857 1.00 0.00 N ATOM 576 NH2 ARG A 709 20.762 -28.367 21.565 1.00 0.00 N ATOM 0 H ARG A 709 26.373 -27.350 19.209 1.00 0.00 H new ATOM 0 HA ARG A 709 26.433 -29.020 21.492 1.00 0.00 H new ATOM 0 HB2 ARG A 709 26.354 -29.597 18.496 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.167 -30.837 19.720 1.00 0.00 H new ATOM 0 HG2 ARG A 709 24.405 -28.340 19.601 1.00 0.00 H new ATOM 0 HG3 ARG A 709 23.975 -29.847 18.818 1.00 0.00 H new ATOM 0 HD2 ARG A 709 24.172 -31.022 21.058 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.491 -29.472 21.812 1.00 0.00 H new ATOM 0 HE ARG A 709 21.895 -30.430 20.773 1.00 0.00 H new ATOM 0 HH11 ARG A 709 23.861 -27.681 21.807 1.00 0.00 H new ATOM 0 HH12 ARG A 709 22.459 -26.677 22.188 1.00 0.00 H new ATOM 0 HH21 ARG A 709 20.135 -29.121 21.286 1.00 0.00 H new ATOM 0 HH22 ARG A 709 20.379 -27.482 21.898 1.00 0.00 H new ATOM 590 N GLN A 710 29.104 -29.007 19.577 1.00 0.00 N ATOM 591 CA GLN A 710 30.492 -29.445 19.505 1.00 0.00 C ATOM 592 C GLN A 710 30.569 -30.967 19.448 1.00 0.00 C ATOM 593 O GLN A 710 30.732 -31.630 20.472 1.00 0.00 O ATOM 594 CB GLN A 710 31.265 -28.982 20.746 1.00 0.00 C ATOM 595 CG GLN A 710 31.230 -27.461 20.858 1.00 0.00 C ATOM 596 CD GLN A 710 32.021 -27.010 22.081 1.00 0.00 C ATOM 597 OE1 GLN A 710 31.722 -27.422 23.202 1.00 0.00 O ATOM 598 NE2 GLN A 710 33.019 -26.183 21.933 1.00 0.00 N ATOM 0 H GLN A 710 28.831 -28.335 18.860 1.00 0.00 H new ATOM 0 HA GLN A 710 30.928 -29.012 18.605 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.831 -29.429 21.640 1.00 0.00 H new ATOM 0 HB3 GLN A 710 32.298 -29.325 20.688 1.00 0.00 H new ATOM 0 HG2 GLN A 710 31.649 -27.012 19.958 1.00 0.00 H new ATOM 0 HG3 GLN A 710 30.198 -27.117 20.935 1.00 0.00 H new ATOM 0 HE21 GLN A 710 33.266 -25.842 21.004 1.00 0.00 H new ATOM 0 HE22 GLN A 710 33.553 -25.877 22.747 1.00 0.00 H new ATOM 607 N GLY A 711 30.444 -31.509 18.240 1.00 0.00 N ATOM 608 CA GLY A 711 30.502 -32.952 18.039 1.00 0.00 C ATOM 609 C GLY A 711 29.416 -33.679 18.827 1.00 0.00 C ATOM 610 O GLY A 711 28.246 -33.301 18.790 1.00 0.00 O ATOM 0 H GLY A 711 30.302 -30.970 17.386 1.00 0.00 H new ATOM 0 HA2 GLY A 711 30.392 -33.176 16.978 1.00 0.00 H new ATOM 0 HA3 GLY A 711 31.481 -33.322 18.343 1.00 0.00 H new ATOM 614 N TYR A 712 29.819 -34.736 19.527 1.00 0.00 N ATOM 615 CA TYR A 712 28.883 -35.532 20.313 1.00 0.00 C ATOM 616 C TYR A 712 29.118 -35.345 21.809 1.00 0.00 C ATOM 617 O TYR A 712 28.732 -36.194 22.613 1.00 0.00 O ATOM 618 CB TYR A 712 29.033 -37.011 19.958 1.00 0.00 C ATOM 619 CG TYR A 712 28.692 -37.216 18.501 1.00 0.00 C ATOM 620 CD1 TYR A 712 29.700 -37.166 17.531 1.00 0.00 C ATOM 621 CD2 TYR A 712 27.366 -37.459 18.122 1.00 0.00 C ATOM 622 CE1 TYR A 712 29.382 -37.359 16.180 1.00 0.00 C ATOM 623 CE2 TYR A 712 27.049 -37.651 16.771 1.00 0.00 C ATOM 624 CZ TYR A 712 28.057 -37.600 15.801 1.00 0.00 C ATOM 625 OH TYR A 712 27.743 -37.790 14.470 1.00 0.00 O ATOM 0 H TYR A 712 30.785 -35.060 19.566 1.00 0.00 H new ATOM 0 HA TYR A 712 27.874 -35.194 20.077 1.00 0.00 H new ATOM 0 HB2 TYR A 712 30.053 -37.341 20.154 1.00 0.00 H new ATOM 0 HB3 TYR A 712 28.377 -37.615 20.585 1.00 0.00 H new ATOM 0 HD1 TYR A 712 30.723 -36.979 17.824 1.00 0.00 H new ATOM 0 HD2 TYR A 712 26.588 -37.498 18.871 1.00 0.00 H new ATOM 0 HE1 TYR A 712 30.160 -37.322 15.431 1.00 0.00 H new ATOM 0 HE2 TYR A 712 26.027 -37.838 16.478 1.00 0.00 H new ATOM 0 HH TYR A 712 26.780 -37.947 14.380 1.00 0.00 H new ATOM 635 N SER A 713 29.757 -34.240 22.181 1.00 0.00 N ATOM 636 CA SER A 713 30.034 -33.977 23.589 1.00 0.00 C ATOM 637 C SER A 713 29.534 -32.594 23.993 1.00 0.00 C ATOM 638 O SER A 713 30.321 -31.670 24.199 1.00 0.00 O ATOM 639 CB SER A 713 31.539 -34.068 23.847 1.00 0.00 C ATOM 640 OG SER A 713 31.780 -33.994 25.246 1.00 0.00 O ATOM 0 H SER A 713 30.089 -33.521 21.537 1.00 0.00 H new ATOM 0 HA SER A 713 29.511 -34.725 24.185 1.00 0.00 H new ATOM 0 HB2 SER A 713 31.932 -35.003 23.447 1.00 0.00 H new ATOM 0 HB3 SER A 713 32.057 -33.258 23.333 1.00 0.00 H new ATOM 0 HG SER A 713 32.743 -34.054 25.416 1.00 0.00 H new ATOM 646 N PRO A 714 28.242 -32.447 24.119 1.00 0.00 N ATOM 647 CA PRO A 714 27.600 -31.165 24.519 1.00 0.00 C ATOM 648 C PRO A 714 27.539 -31.003 26.036 1.00 0.00 C ATOM 649 O PRO A 714 26.454 -30.916 26.615 1.00 0.00 O ATOM 650 CB PRO A 714 26.200 -31.299 23.928 1.00 0.00 C ATOM 651 CG PRO A 714 25.895 -32.759 24.011 1.00 0.00 C ATOM 652 CD PRO A 714 27.235 -33.496 23.886 1.00 0.00 C ATOM 0 HA PRO A 714 28.147 -30.290 24.169 1.00 0.00 H new ATOM 0 HB2 PRO A 714 25.475 -30.710 24.489 1.00 0.00 H new ATOM 0 HB3 PRO A 714 26.169 -30.945 22.897 1.00 0.00 H new ATOM 0 HG2 PRO A 714 25.407 -33.000 24.956 1.00 0.00 H new ATOM 0 HG3 PRO A 714 25.213 -33.058 23.215 1.00 0.00 H new ATOM 0 HD2 PRO A 714 27.319 -34.299 24.618 1.00 0.00 H new ATOM 0 HD3 PRO A 714 27.351 -33.949 22.901 1.00 0.00 H new ATOM 660 N LEU A 715 28.702 -30.969 26.676 1.00 0.00 N ATOM 661 CA LEU A 715 28.757 -30.823 28.126 1.00 0.00 C ATOM 662 C LEU A 715 29.099 -29.387 28.511 1.00 0.00 C ATOM 663 O LEU A 715 29.945 -28.751 27.884 1.00 0.00 O ATOM 664 CB LEU A 715 29.805 -31.773 28.708 1.00 0.00 C ATOM 665 CG LEU A 715 29.138 -33.096 29.091 1.00 0.00 C ATOM 666 CD1 LEU A 715 28.575 -33.766 27.837 1.00 0.00 C ATOM 667 CD2 LEU A 715 30.174 -34.019 29.738 1.00 0.00 C ATOM 0 H LEU A 715 29.611 -31.040 26.220 1.00 0.00 H new ATOM 0 HA LEU A 715 27.776 -31.071 28.533 1.00 0.00 H new ATOM 0 HB2 LEU A 715 30.596 -31.950 27.979 1.00 0.00 H new ATOM 0 HB3 LEU A 715 30.273 -31.323 29.583 1.00 0.00 H new ATOM 0 HG LEU A 715 28.329 -32.904 29.795 1.00 0.00 H new ATOM 0 HD11 LEU A 715 28.100 -34.708 28.110 1.00 0.00 H new ATOM 0 HD12 LEU A 715 27.839 -33.110 27.373 1.00 0.00 H new ATOM 0 HD13 LEU A 715 29.384 -33.958 27.133 1.00 0.00 H new ATOM 0 HD21 LEU A 715 29.701 -34.962 30.012 1.00 0.00 H new ATOM 0 HD22 LEU A 715 30.982 -34.210 29.032 1.00 0.00 H new ATOM 0 HD23 LEU A 715 30.578 -33.543 30.632 1.00 0.00 H new ATOM 679 N SER A 716 28.433 -28.885 29.545 1.00 0.00 N ATOM 680 CA SER A 716 28.672 -27.522 30.005 1.00 0.00 C ATOM 681 C SER A 716 29.230 -27.525 31.425 1.00 0.00 C ATOM 682 O SER A 716 29.347 -26.453 31.997 1.00 0.00 O ATOM 683 CB SER A 716 27.368 -26.725 29.969 1.00 0.00 C ATOM 684 OG SER A 716 26.841 -26.626 31.286 1.00 0.00 O ATOM 685 OXT SER A 716 29.531 -28.599 31.920 1.00 0.00 O ATOM 0 H SER A 716 27.729 -29.397 30.077 1.00 0.00 H new ATOM 0 HA SER A 716 29.402 -27.057 29.342 1.00 0.00 H new ATOM 0 HB2 SER A 716 27.548 -25.730 29.561 1.00 0.00 H new ATOM 0 HB3 SER A 716 26.648 -27.213 29.313 1.00 0.00 H new ATOM 0 HG SER A 716 26.006 -26.114 31.266 1.00 0.00 H new TER 691 SER A 716