USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 357 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 631 SER OG : rot 150:sc= -2.64 USER MOD Single : A 633 LYS NZ :NH3+ 145:sc= -0.408 (180deg=-0.542) USER MOD Single : A 634 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 638 GLN : amide:sc=-0.00139 X(o=-0.0014,f=0) USER MOD Single : A 641 ASN : amide:sc= 0.315 X(o=0.32,f=-0.023) USER MOD Single : A 643 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.2!) USER MOD Single : A 646 THR OG1 : rot -53:sc= 0.338 USER MOD Single : A 650 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.4) USER MOD Single : A 659 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 630 6.957 -20.152 3.110 1.00 0.00 N ATOM 2 CA GLY A 630 7.050 -18.871 3.862 1.00 0.00 C ATOM 3 C GLY A 630 8.437 -18.263 3.802 1.00 0.00 C ATOM 4 O GLY A 630 9.303 -18.595 4.611 1.00 0.00 O ATOM 0 HA2 GLY A 630 6.328 -18.162 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 630 6.777 -19.044 4.903 1.00 0.00 H new ATOM 10 N SER A 631 8.649 -17.370 2.840 1.00 0.00 N ATOM 11 CA SER A 631 9.941 -16.716 2.679 1.00 0.00 C ATOM 12 C SER A 631 9.871 -15.256 3.119 1.00 0.00 C ATOM 13 O SER A 631 10.789 -14.751 3.766 1.00 0.00 O ATOM 14 CB SER A 631 10.410 -16.815 1.224 1.00 0.00 C ATOM 15 OG SER A 631 11.179 -15.683 0.849 1.00 0.00 O ATOM 0 H SER A 631 7.943 -17.084 2.162 1.00 0.00 H new ATOM 0 HA SER A 631 10.664 -17.227 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 631 11.004 -17.720 1.092 1.00 0.00 H new ATOM 0 HB3 SER A 631 9.545 -16.903 0.567 1.00 0.00 H new ATOM 0 HG SER A 631 11.834 -15.943 0.168 1.00 0.00 H new ATOM 21 N ASP A 632 8.778 -14.580 2.773 1.00 0.00 N ATOM 22 CA ASP A 632 8.603 -13.181 3.146 1.00 0.00 C ATOM 23 C ASP A 632 7.187 -12.911 3.652 1.00 0.00 C ATOM 24 O ASP A 632 6.868 -13.181 4.810 1.00 0.00 O ATOM 25 CB ASP A 632 8.934 -12.258 1.972 1.00 0.00 C ATOM 26 CG ASP A 632 10.419 -12.213 1.666 1.00 0.00 C ATOM 27 OD1 ASP A 632 10.946 -11.101 1.449 1.00 0.00 O ATOM 28 OD2 ASP A 632 11.054 -13.287 1.643 1.00 0.00 O ATOM 0 H ASP A 632 8.005 -14.976 2.238 1.00 0.00 H new ATOM 0 HA ASP A 632 9.297 -12.970 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 632 8.394 -12.595 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 632 8.582 -11.251 2.196 1.00 0.00 H new ATOM 33 N LYS A 633 6.347 -12.369 2.778 1.00 0.00 N ATOM 34 CA LYS A 633 4.966 -12.047 3.124 1.00 0.00 C ATOM 35 C LYS A 633 4.268 -13.226 3.795 1.00 0.00 C ATOM 36 O LYS A 633 3.574 -13.057 4.798 1.00 0.00 O ATOM 37 CB LYS A 633 4.191 -11.631 1.872 1.00 0.00 C ATOM 38 CG LYS A 633 4.296 -12.630 0.731 1.00 0.00 C ATOM 39 CD LYS A 633 4.259 -11.936 -0.621 1.00 0.00 C ATOM 40 CE LYS A 633 2.955 -11.182 -0.826 1.00 0.00 C ATOM 41 NZ LYS A 633 3.035 -10.232 -1.970 1.00 0.00 N ATOM 0 H LYS A 633 6.600 -12.141 1.817 1.00 0.00 H new ATOM 0 HA LYS A 633 4.987 -11.218 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 633 3.141 -11.499 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.560 -10.663 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 633 5.223 -13.196 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 633 3.477 -13.346 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 633 5.097 -11.243 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 633 4.382 -12.674 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.148 -11.894 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.706 -10.635 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.115 -10.192 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.283 -9.285 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 3.763 -10.555 -2.639 1.00 0.00 H new ATOM 55 N THR A 634 4.458 -14.420 3.242 1.00 0.00 N ATOM 56 CA THR A 634 3.838 -15.621 3.807 1.00 0.00 C ATOM 57 C THR A 634 4.242 -16.890 3.071 1.00 0.00 C ATOM 58 O THR A 634 4.126 -17.994 3.602 1.00 0.00 O ATOM 59 CB THR A 634 2.312 -15.485 3.822 1.00 0.00 C ATOM 60 OG1 THR A 634 1.900 -14.327 3.116 1.00 0.00 O ATOM 61 CG2 THR A 634 1.733 -15.402 5.217 1.00 0.00 C ATOM 0 H THR A 634 5.029 -14.585 2.413 1.00 0.00 H new ATOM 0 HA THR A 634 4.204 -15.710 4.830 1.00 0.00 H new ATOM 0 HB THR A 634 1.939 -16.390 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 634 0.922 -14.261 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 634 0.649 -15.307 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 634 1.987 -16.306 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 634 2.145 -14.533 5.731 1.00 0.00 H new ATOM 69 N LEU A 635 4.722 -16.717 1.863 1.00 0.00 N ATOM 70 CA LEU A 635 5.165 -17.833 1.034 1.00 0.00 C ATOM 71 C LEU A 635 5.614 -17.359 -0.341 1.00 0.00 C ATOM 72 O LEU A 635 6.764 -17.564 -0.727 1.00 0.00 O ATOM 73 CB LEU A 635 4.072 -18.899 0.900 1.00 0.00 C ATOM 74 CG LEU A 635 4.402 -20.057 -0.051 1.00 0.00 C ATOM 75 CD1 LEU A 635 4.131 -19.662 -1.494 1.00 0.00 C ATOM 76 CD2 LEU A 635 5.852 -20.497 0.118 1.00 0.00 C ATOM 0 H LEU A 635 4.820 -15.804 1.419 1.00 0.00 H new ATOM 0 HA LEU A 635 6.021 -18.285 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 635 3.864 -19.309 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 635 3.157 -18.417 0.556 1.00 0.00 H new ATOM 0 HG LEU A 635 3.756 -20.898 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 635 4.372 -20.498 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 635 3.079 -19.402 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 635 4.748 -18.803 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 635 6.065 -21.319 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 635 6.514 -19.660 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 635 6.015 -20.827 1.144 1.00 0.00 H new ATOM 88 N PRO A 636 4.726 -16.703 -1.099 1.00 0.00 N ATOM 89 CA PRO A 636 5.072 -16.197 -2.423 1.00 0.00 C ATOM 90 C PRO A 636 6.264 -15.256 -2.342 1.00 0.00 C ATOM 91 O PRO A 636 6.966 -15.034 -3.328 1.00 0.00 O ATOM 92 CB PRO A 636 3.813 -15.457 -2.893 1.00 0.00 C ATOM 93 CG PRO A 636 2.950 -15.304 -1.684 1.00 0.00 C ATOM 94 CD PRO A 636 3.344 -16.390 -0.721 1.00 0.00 C ATOM 0 HA PRO A 636 5.360 -16.991 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 636 4.067 -14.485 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 636 3.298 -16.019 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 636 3.088 -14.321 -1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 636 1.896 -15.388 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 636 3.278 -16.052 0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 636 2.696 -17.262 -0.813 1.00 0.00 H new ATOM 102 N ASP A 637 6.490 -14.730 -1.134 1.00 0.00 N ATOM 103 CA ASP A 637 7.599 -13.824 -0.849 1.00 0.00 C ATOM 104 C ASP A 637 8.018 -13.014 -2.071 1.00 0.00 C ATOM 105 O ASP A 637 9.205 -12.826 -2.339 1.00 0.00 O ATOM 106 CB ASP A 637 8.773 -14.621 -0.284 1.00 0.00 C ATOM 107 CG ASP A 637 9.607 -15.300 -1.357 1.00 0.00 C ATOM 108 OD1 ASP A 637 9.107 -16.262 -1.977 1.00 0.00 O ATOM 109 OD2 ASP A 637 10.758 -14.868 -1.575 1.00 0.00 O ATOM 0 H ASP A 637 5.902 -14.924 -0.323 1.00 0.00 H new ATOM 0 HA ASP A 637 7.263 -13.100 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 637 9.411 -13.954 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 637 8.393 -15.376 0.404 1.00 0.00 H new ATOM 114 N GLN A 638 7.021 -12.536 -2.795 1.00 0.00 N ATOM 115 CA GLN A 638 7.238 -11.732 -3.995 1.00 0.00 C ATOM 116 C GLN A 638 8.347 -12.317 -4.869 1.00 0.00 C ATOM 117 O GLN A 638 9.456 -11.786 -4.925 1.00 0.00 O ATOM 118 CB GLN A 638 7.573 -10.290 -3.607 1.00 0.00 C ATOM 119 CG GLN A 638 8.740 -10.167 -2.641 1.00 0.00 C ATOM 120 CD GLN A 638 9.184 -8.731 -2.446 1.00 0.00 C ATOM 121 OE1 GLN A 638 8.392 -7.871 -2.061 1.00 0.00 O ATOM 122 NE2 GLN A 638 10.457 -8.463 -2.711 1.00 0.00 N ATOM 0 H GLN A 638 6.038 -12.691 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 638 6.317 -11.742 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 638 7.801 -9.725 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 638 6.692 -9.831 -3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 638 8.456 -10.590 -1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 638 9.579 -10.756 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 638 11.079 -9.206 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 638 10.813 -7.514 -2.598 1.00 0.00 H new ATOM 131 N GLY A 639 8.036 -13.413 -5.551 1.00 0.00 N ATOM 132 CA GLY A 639 9.014 -14.051 -6.413 1.00 0.00 C ATOM 133 C GLY A 639 8.402 -14.568 -7.700 1.00 0.00 C ATOM 134 O GLY A 639 8.843 -14.210 -8.792 1.00 0.00 O ATOM 0 H GLY A 639 7.125 -13.871 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 639 9.804 -13.339 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 639 9.481 -14.878 -5.878 1.00 0.00 H new ATOM 138 N ASP A 640 7.385 -15.413 -7.572 1.00 0.00 N ATOM 139 CA ASP A 640 6.712 -15.981 -8.733 1.00 0.00 C ATOM 140 C ASP A 640 5.491 -15.151 -9.116 1.00 0.00 C ATOM 141 O ASP A 640 5.114 -15.087 -10.286 1.00 0.00 O ATOM 142 CB ASP A 640 6.292 -17.425 -8.451 1.00 0.00 C ATOM 143 CG ASP A 640 7.426 -18.255 -7.883 1.00 0.00 C ATOM 144 OD1 ASP A 640 7.527 -18.351 -6.642 1.00 0.00 O ATOM 145 OD2 ASP A 640 8.212 -18.809 -8.679 1.00 0.00 O ATOM 0 H ASP A 640 7.009 -15.720 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 640 7.413 -15.970 -9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 640 5.457 -17.428 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 640 5.936 -17.884 -9.373 1.00 0.00 H new ATOM 150 N ASN A 641 4.876 -14.517 -8.123 1.00 0.00 N ATOM 151 CA ASN A 641 3.698 -13.691 -8.359 1.00 0.00 C ATOM 152 C ASN A 641 3.414 -12.790 -7.161 1.00 0.00 C ATOM 153 O ASN A 641 2.860 -13.234 -6.155 1.00 0.00 O ATOM 154 CB ASN A 641 2.482 -14.574 -8.651 1.00 0.00 C ATOM 155 CG ASN A 641 1.727 -14.127 -9.887 1.00 0.00 C ATOM 156 OD1 ASN A 641 0.646 -13.545 -9.792 1.00 0.00 O ATOM 157 ND2 ASN A 641 2.294 -14.397 -11.057 1.00 0.00 N ATOM 0 H ASN A 641 5.174 -14.559 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 641 3.895 -13.058 -9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 641 2.808 -15.606 -8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 641 1.810 -14.558 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 641 1.832 -14.120 -11.923 1.00 0.00 H new ATOM 0 HD22 ASN A 641 3.191 -14.881 -11.089 1.00 0.00 H new ATOM 164 N ASP A 642 3.796 -11.522 -7.277 1.00 0.00 N ATOM 165 CA ASP A 642 3.582 -10.557 -6.204 1.00 0.00 C ATOM 166 C ASP A 642 2.388 -9.656 -6.512 1.00 0.00 C ATOM 167 O ASP A 642 1.661 -9.241 -5.609 1.00 0.00 O ATOM 168 CB ASP A 642 4.837 -9.705 -5.999 1.00 0.00 C ATOM 169 CG ASP A 642 5.175 -8.868 -7.217 1.00 0.00 C ATOM 170 OD1 ASP A 642 4.388 -7.957 -7.548 1.00 0.00 O ATOM 171 OD2 ASP A 642 6.228 -9.124 -7.839 1.00 0.00 O ATOM 0 H ASP A 642 4.255 -11.139 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 642 3.371 -11.110 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 642 4.691 -9.049 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 642 5.679 -10.355 -5.764 1.00 0.00 H new ATOM 176 N ASN A 643 2.195 -9.358 -7.793 1.00 0.00 N ATOM 177 CA ASN A 643 1.093 -8.505 -8.230 1.00 0.00 C ATOM 178 C ASN A 643 -0.251 -9.001 -7.699 1.00 0.00 C ATOM 179 O ASN A 643 -1.209 -8.234 -7.606 1.00 0.00 O ATOM 180 CB ASN A 643 1.054 -8.439 -9.758 1.00 0.00 C ATOM 181 CG ASN A 643 2.242 -7.694 -10.335 1.00 0.00 C ATOM 182 OD1 ASN A 643 3.389 -7.959 -9.976 1.00 0.00 O ATOM 183 ND2 ASN A 643 1.972 -6.755 -11.234 1.00 0.00 N ATOM 0 H ASN A 643 2.789 -9.696 -8.550 1.00 0.00 H new ATOM 0 HA ASN A 643 1.266 -7.508 -7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 643 1.032 -9.451 -10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 643 0.133 -7.949 -10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 643 2.731 -6.220 -11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 643 1.006 -6.569 -11.502 1.00 0.00 H new ATOM 190 N TRP A 644 -0.320 -10.286 -7.356 1.00 0.00 N ATOM 191 CA TRP A 644 -1.554 -10.874 -6.840 1.00 0.00 C ATOM 192 C TRP A 644 -2.158 -10.014 -5.730 1.00 0.00 C ATOM 193 O TRP A 644 -3.371 -10.016 -5.523 1.00 0.00 O ATOM 194 CB TRP A 644 -1.291 -12.293 -6.322 1.00 0.00 C ATOM 195 CG TRP A 644 -0.589 -12.331 -4.997 1.00 0.00 C ATOM 196 CD1 TRP A 644 0.712 -12.002 -4.748 1.00 0.00 C ATOM 197 CD2 TRP A 644 -1.153 -12.720 -3.739 1.00 0.00 C ATOM 198 NE1 TRP A 644 0.993 -12.163 -3.412 1.00 0.00 N ATOM 199 CE2 TRP A 644 -0.137 -12.603 -2.772 1.00 0.00 C ATOM 200 CE3 TRP A 644 -2.419 -13.155 -3.336 1.00 0.00 C ATOM 201 CZ2 TRP A 644 -0.348 -12.906 -1.429 1.00 0.00 C ATOM 202 CZ3 TRP A 644 -2.628 -13.455 -2.003 1.00 0.00 C ATOM 203 CH2 TRP A 644 -1.597 -13.329 -1.064 1.00 0.00 C ATOM 0 H TRP A 644 0.461 -10.938 -7.426 1.00 0.00 H new ATOM 0 HA TRP A 644 -2.270 -10.920 -7.660 1.00 0.00 H new ATOM 0 HB2 TRP A 644 -2.241 -12.820 -6.235 1.00 0.00 H new ATOM 0 HB3 TRP A 644 -0.693 -12.833 -7.056 1.00 0.00 H new ATOM 0 HD1 TRP A 644 1.418 -11.664 -5.492 1.00 0.00 H new ATOM 0 HE1 TRP A 644 1.894 -11.984 -2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 644 -3.220 -13.255 -4.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 644 0.445 -12.811 -0.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 644 -3.602 -13.792 -1.681 1.00 0.00 H new ATOM 0 HH2 TRP A 644 -1.792 -13.571 -0.030 1.00 0.00 H new ATOM 214 N TRP A 645 -1.304 -9.282 -5.021 1.00 0.00 N ATOM 215 CA TRP A 645 -1.754 -8.420 -3.934 1.00 0.00 C ATOM 216 C TRP A 645 -0.852 -7.195 -3.788 1.00 0.00 C ATOM 217 O TRP A 645 -0.831 -6.555 -2.737 1.00 0.00 O ATOM 218 CB TRP A 645 -1.786 -9.202 -2.619 1.00 0.00 C ATOM 219 CG TRP A 645 -2.892 -8.778 -1.702 1.00 0.00 C ATOM 220 CD1 TRP A 645 -4.178 -9.236 -1.704 1.00 0.00 C ATOM 221 CD2 TRP A 645 -2.812 -7.813 -0.646 1.00 0.00 C ATOM 222 NE1 TRP A 645 -4.903 -8.615 -0.716 1.00 0.00 N ATOM 223 CE2 TRP A 645 -4.086 -7.737 -0.053 1.00 0.00 C ATOM 224 CE3 TRP A 645 -1.786 -7.006 -0.144 1.00 0.00 C ATOM 225 CZ2 TRP A 645 -4.361 -6.886 1.015 1.00 0.00 C ATOM 226 CZ3 TRP A 645 -2.060 -6.162 0.916 1.00 0.00 C ATOM 227 CH2 TRP A 645 -3.339 -6.108 1.486 1.00 0.00 C ATOM 0 H TRP A 645 -0.297 -9.269 -5.180 1.00 0.00 H new ATOM 0 HA TRP A 645 -2.760 -8.076 -4.174 1.00 0.00 H new ATOM 0 HB2 TRP A 645 -1.893 -10.264 -2.839 1.00 0.00 H new ATOM 0 HB3 TRP A 645 -0.832 -9.077 -2.107 1.00 0.00 H new ATOM 0 HD1 TRP A 645 -4.569 -9.979 -2.384 1.00 0.00 H new ATOM 0 HE1 TRP A 645 -5.888 -8.780 -0.510 1.00 0.00 H new ATOM 0 HE3 TRP A 645 -0.797 -7.042 -0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 645 -5.346 -6.842 1.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 645 -1.275 -5.534 1.311 1.00 0.00 H new ATOM 0 HH2 TRP A 645 -3.522 -5.439 2.314 1.00 0.00 H new ATOM 238 N THR A 646 -0.112 -6.869 -4.845 1.00 0.00 N ATOM 239 CA THR A 646 0.783 -5.716 -4.820 1.00 0.00 C ATOM 240 C THR A 646 1.047 -5.193 -6.231 1.00 0.00 C ATOM 241 O THR A 646 2.081 -4.577 -6.491 1.00 0.00 O ATOM 242 CB THR A 646 2.105 -6.080 -4.135 1.00 0.00 C ATOM 243 OG1 THR A 646 2.837 -4.912 -3.810 1.00 0.00 O ATOM 244 CG2 THR A 646 3.003 -6.963 -4.977 1.00 0.00 C ATOM 0 H THR A 646 -0.114 -7.384 -5.725 1.00 0.00 H new ATOM 0 HA THR A 646 0.296 -4.925 -4.250 1.00 0.00 H new ATOM 0 HB THR A 646 1.819 -6.634 -3.241 1.00 0.00 H new ATOM 0 HG1 THR A 646 2.933 -4.353 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 646 3.919 -7.179 -4.428 1.00 0.00 H new ATOM 0 HG22 THR A 646 2.487 -7.896 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 646 3.250 -6.450 -5.907 1.00 0.00 H new ATOM 252 N GLY A 647 0.106 -5.440 -7.136 1.00 0.00 N ATOM 253 CA GLY A 647 0.255 -4.984 -8.506 1.00 0.00 C ATOM 254 C GLY A 647 -1.051 -4.483 -9.089 1.00 0.00 C ATOM 255 O GLY A 647 -1.451 -3.345 -8.845 1.00 0.00 O ATOM 0 H GLY A 647 -0.758 -5.948 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 647 0.997 -4.186 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 647 0.635 -5.801 -9.120 1.00 0.00 H new ATOM 259 N TRP A 648 -1.721 -5.336 -9.856 1.00 0.00 N ATOM 260 CA TRP A 648 -2.993 -4.973 -10.467 1.00 0.00 C ATOM 261 C TRP A 648 -4.063 -4.776 -9.398 1.00 0.00 C ATOM 262 O TRP A 648 -4.998 -3.996 -9.576 1.00 0.00 O ATOM 263 CB TRP A 648 -3.436 -6.052 -11.457 1.00 0.00 C ATOM 264 CG TRP A 648 -3.490 -7.424 -10.857 1.00 0.00 C ATOM 265 CD1 TRP A 648 -2.501 -8.365 -10.871 1.00 0.00 C ATOM 266 CD2 TRP A 648 -4.592 -8.009 -10.154 1.00 0.00 C ATOM 267 NE1 TRP A 648 -2.920 -9.499 -10.219 1.00 0.00 N ATOM 268 CE2 TRP A 648 -4.200 -9.306 -9.770 1.00 0.00 C ATOM 269 CE3 TRP A 648 -5.871 -7.563 -9.811 1.00 0.00 C ATOM 270 CZ2 TRP A 648 -5.042 -10.159 -9.060 1.00 0.00 C ATOM 271 CZ3 TRP A 648 -6.706 -8.411 -9.107 1.00 0.00 C ATOM 272 CH2 TRP A 648 -6.288 -9.696 -8.738 1.00 0.00 C ATOM 0 H TRP A 648 -1.405 -6.282 -10.069 1.00 0.00 H new ATOM 0 HA TRP A 648 -2.859 -4.035 -11.005 1.00 0.00 H new ATOM 0 HB2 TRP A 648 -4.421 -5.795 -11.847 1.00 0.00 H new ATOM 0 HB3 TRP A 648 -2.750 -6.061 -12.304 1.00 0.00 H new ATOM 0 HD1 TRP A 648 -1.531 -8.237 -11.328 1.00 0.00 H new ATOM 0 HE1 TRP A 648 -2.368 -10.347 -10.090 1.00 0.00 H new ATOM 0 HE3 TRP A 648 -6.201 -6.574 -10.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 648 -4.722 -11.150 -8.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 648 -7.697 -8.077 -8.837 1.00 0.00 H new ATOM 0 HH2 TRP A 648 -6.964 -10.334 -8.188 1.00 0.00 H new ATOM 283 N ARG A 649 -3.908 -5.481 -8.281 1.00 0.00 N ATOM 284 CA ARG A 649 -4.844 -5.383 -7.170 1.00 0.00 C ATOM 285 C ARG A 649 -4.462 -4.229 -6.250 1.00 0.00 C ATOM 286 O ARG A 649 -5.233 -3.837 -5.374 1.00 0.00 O ATOM 287 CB ARG A 649 -4.866 -6.699 -6.387 1.00 0.00 C ATOM 288 CG ARG A 649 -5.721 -6.658 -5.131 1.00 0.00 C ATOM 289 CD ARG A 649 -5.676 -7.983 -4.385 1.00 0.00 C ATOM 290 NE ARG A 649 -6.938 -8.713 -4.493 1.00 0.00 N ATOM 291 CZ ARG A 649 -7.037 -10.042 -4.465 1.00 0.00 C ATOM 292 NH1 ARG A 649 -5.952 -10.796 -4.332 1.00 0.00 N ATOM 293 NH2 ARG A 649 -8.226 -10.619 -4.569 1.00 0.00 N ATOM 0 H ARG A 649 -3.137 -6.130 -8.123 1.00 0.00 H new ATOM 0 HA ARG A 649 -5.840 -5.191 -7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 649 -5.234 -7.491 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 649 -3.845 -6.962 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 649 -5.372 -5.859 -4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 649 -6.752 -6.424 -5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 649 -4.867 -8.596 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 649 -5.451 -7.800 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 649 -7.796 -8.172 -4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 649 -5.034 -10.359 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 649 -6.037 -11.812 -4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 649 -9.064 -10.046 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 649 -8.303 -11.636 -4.548 1.00 0.00 H new ATOM 307 N GLN A 650 -3.260 -3.694 -6.451 1.00 0.00 N ATOM 308 CA GLN A 650 -2.768 -2.595 -5.639 1.00 0.00 C ATOM 309 C GLN A 650 -3.570 -1.318 -5.881 1.00 0.00 C ATOM 310 O GLN A 650 -3.452 -0.352 -5.127 1.00 0.00 O ATOM 311 CB GLN A 650 -1.286 -2.347 -5.931 1.00 0.00 C ATOM 312 CG GLN A 650 -0.389 -2.515 -4.716 1.00 0.00 C ATOM 313 CD GLN A 650 -0.257 -1.239 -3.909 1.00 0.00 C ATOM 314 OE1 GLN A 650 -0.012 -0.165 -4.459 1.00 0.00 O ATOM 315 NE2 GLN A 650 -0.417 -1.350 -2.595 1.00 0.00 N ATOM 0 H GLN A 650 -2.611 -4.008 -7.172 1.00 0.00 H new ATOM 0 HA GLN A 650 -2.888 -2.873 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 650 -0.958 -3.034 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 650 -1.166 -1.337 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 650 -0.790 -3.304 -4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 650 0.600 -2.839 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 650 -0.619 -2.260 -2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 650 -0.338 -0.525 -2.000 1.00 0.00 H new ATOM 324 N TRP A 651 -4.378 -1.311 -6.938 1.00 0.00 N ATOM 325 CA TRP A 651 -5.184 -0.142 -7.268 1.00 0.00 C ATOM 326 C TRP A 651 -6.281 -0.493 -8.269 1.00 0.00 C ATOM 327 O TRP A 651 -6.497 0.226 -9.245 1.00 0.00 O ATOM 328 CB TRP A 651 -4.292 0.965 -7.832 1.00 0.00 C ATOM 329 CG TRP A 651 -3.381 0.498 -8.927 1.00 0.00 C ATOM 330 CD1 TRP A 651 -2.444 -0.491 -8.849 1.00 0.00 C ATOM 331 CD2 TRP A 651 -3.318 1.006 -10.265 1.00 0.00 C ATOM 332 NE1 TRP A 651 -1.803 -0.631 -10.055 1.00 0.00 N ATOM 333 CE2 TRP A 651 -2.322 0.276 -10.941 1.00 0.00 C ATOM 334 CE3 TRP A 651 -4.008 2.005 -10.958 1.00 0.00 C ATOM 335 CZ2 TRP A 651 -2.000 0.515 -12.275 1.00 0.00 C ATOM 336 CZ3 TRP A 651 -3.687 2.241 -12.281 1.00 0.00 C ATOM 337 CH2 TRP A 651 -2.691 1.499 -12.928 1.00 0.00 C ATOM 0 H TRP A 651 -4.491 -2.098 -7.577 1.00 0.00 H new ATOM 0 HA TRP A 651 -5.662 0.211 -6.354 1.00 0.00 H new ATOM 0 HB2 TRP A 651 -4.921 1.770 -8.212 1.00 0.00 H new ATOM 0 HB3 TRP A 651 -3.692 1.384 -7.024 1.00 0.00 H new ATOM 0 HD1 TRP A 651 -2.237 -1.078 -7.967 1.00 0.00 H new ATOM 0 HE1 TRP A 651 -1.061 -1.301 -10.258 1.00 0.00 H new ATOM 0 HE3 TRP A 651 -4.778 2.582 -10.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 651 -1.232 -0.056 -12.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 651 -4.213 3.011 -12.826 1.00 0.00 H new ATOM 0 HH2 TRP A 651 -2.464 1.708 -13.963 1.00 0.00 H new ATOM 348 N ILE A 652 -6.973 -1.602 -8.024 1.00 0.00 N ATOM 349 CA ILE A 652 -8.046 -2.038 -8.913 1.00 0.00 C ATOM 350 C ILE A 652 -9.408 -1.443 -8.530 1.00 0.00 C ATOM 351 O ILE A 652 -10.243 -1.207 -9.403 1.00 0.00 O ATOM 352 CB ILE A 652 -8.155 -3.580 -8.973 1.00 0.00 C ATOM 353 CG1 ILE A 652 -9.096 -3.999 -10.104 1.00 0.00 C ATOM 354 CG2 ILE A 652 -8.633 -4.152 -7.646 1.00 0.00 C ATOM 355 CD1 ILE A 652 -8.685 -5.287 -10.784 1.00 0.00 C ATOM 0 H ILE A 652 -6.812 -2.212 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 652 -7.777 -1.664 -9.901 1.00 0.00 H new ATOM 0 HB ILE A 652 -7.161 -3.982 -9.171 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -10.104 -4.114 -9.704 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -9.137 -3.202 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -8.699 -5.237 -7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -7.927 -3.885 -6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -9.615 -3.744 -7.407 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -9.396 -5.524 -11.575 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -7.690 -5.170 -11.214 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -8.672 -6.096 -10.054 1.00 0.00 H new ATOM 367 N PRO A 653 -9.669 -1.190 -7.228 1.00 0.00 N ATOM 368 CA PRO A 653 -10.939 -0.630 -6.779 1.00 0.00 C ATOM 369 C PRO A 653 -10.918 0.892 -6.683 1.00 0.00 C ATOM 370 O PRO A 653 -11.943 1.518 -6.411 1.00 0.00 O ATOM 371 CB PRO A 653 -11.075 -1.234 -5.390 1.00 0.00 C ATOM 372 CG PRO A 653 -9.675 -1.300 -4.877 1.00 0.00 C ATOM 373 CD PRO A 653 -8.769 -1.428 -6.083 1.00 0.00 C ATOM 0 HA PRO A 653 -11.756 -0.853 -7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 653 -11.705 -0.618 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 653 -11.531 -2.223 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 653 -9.431 -0.405 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 653 -9.549 -2.151 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 653 -7.959 -0.700 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 653 -8.309 -2.415 -6.134 1.00 0.00 H new ATOM 381 N ALA A 654 -9.744 1.484 -6.888 1.00 0.00 N ATOM 382 CA ALA A 654 -9.591 2.932 -6.805 1.00 0.00 C ATOM 383 C ALA A 654 -9.587 3.385 -5.349 1.00 0.00 C ATOM 384 O ALA A 654 -10.637 3.659 -4.768 1.00 0.00 O ATOM 385 CB ALA A 654 -10.692 3.641 -7.584 1.00 0.00 C ATOM 0 H ALA A 654 -8.885 0.982 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 654 -8.634 3.199 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 654 -10.556 4.720 -7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 654 -10.646 3.344 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 654 -11.663 3.368 -7.172 1.00 0.00 H new ATOM 391 N GLY A 655 -8.396 3.450 -4.765 1.00 0.00 N ATOM 392 CA GLY A 655 -8.263 3.857 -3.378 1.00 0.00 C ATOM 393 C GLY A 655 -7.991 2.687 -2.455 1.00 0.00 C ATOM 394 O GLY A 655 -8.595 2.573 -1.388 1.00 0.00 O ATOM 0 H GLY A 655 -7.516 3.227 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 655 -7.453 4.581 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 655 -9.176 4.361 -3.061 1.00 0.00 H new ATOM 398 N ILE A 656 -7.076 1.814 -2.869 1.00 0.00 N ATOM 399 CA ILE A 656 -6.714 0.642 -2.077 1.00 0.00 C ATOM 400 C ILE A 656 -5.265 0.710 -1.593 1.00 0.00 C ATOM 401 O ILE A 656 -4.962 0.331 -0.462 1.00 0.00 O ATOM 402 CB ILE A 656 -6.908 -0.645 -2.890 1.00 0.00 C ATOM 403 CG1 ILE A 656 -6.686 -1.880 -2.016 1.00 0.00 C ATOM 404 CG2 ILE A 656 -5.966 -0.652 -4.078 1.00 0.00 C ATOM 405 CD1 ILE A 656 -7.728 -2.049 -0.931 1.00 0.00 C ATOM 0 H ILE A 656 -6.571 1.897 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 656 -7.373 0.632 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 656 -7.935 -0.675 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 656 -6.685 -2.767 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 656 -5.700 -1.816 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 656 -6.109 -1.568 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 656 -6.175 0.209 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 656 -4.936 -0.602 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 656 -7.507 -2.945 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 656 -7.714 -1.179 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -8.714 -2.145 -1.385 1.00 0.00 H new ATOM 417 N GLY A 657 -4.374 1.194 -2.457 1.00 0.00 N ATOM 418 CA GLY A 657 -2.973 1.299 -2.098 1.00 0.00 C ATOM 419 C GLY A 657 -2.401 2.651 -2.460 1.00 0.00 C ATOM 420 O GLY A 657 -1.928 3.387 -1.594 1.00 0.00 O ATOM 0 H GLY A 657 -4.600 1.515 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 657 -2.858 1.131 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 657 -2.408 0.517 -2.606 1.00 0.00 H new ATOM 424 N VAL A 658 -2.458 2.985 -3.744 1.00 0.00 N ATOM 425 CA VAL A 658 -1.957 4.264 -4.220 1.00 0.00 C ATOM 426 C VAL A 658 -2.737 5.402 -3.573 1.00 0.00 C ATOM 427 O VAL A 658 -2.175 6.431 -3.201 1.00 0.00 O ATOM 428 CB VAL A 658 -2.057 4.362 -5.757 1.00 0.00 C ATOM 429 CG1 VAL A 658 -3.475 4.703 -6.198 1.00 0.00 C ATOM 430 CG2 VAL A 658 -1.061 5.379 -6.295 1.00 0.00 C ATOM 0 H VAL A 658 -2.847 2.386 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 658 -0.906 4.343 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 658 -1.808 3.386 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 658 -3.513 4.765 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 658 -4.159 3.927 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 658 -3.769 5.661 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 658 -1.147 5.434 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 658 -1.272 6.358 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 658 -0.049 5.075 -6.026 1.00 0.00 H new ATOM 440 N THR A 659 -4.038 5.187 -3.431 1.00 0.00 N ATOM 441 CA THR A 659 -4.920 6.164 -2.810 1.00 0.00 C ATOM 442 C THR A 659 -5.580 5.562 -1.567 1.00 0.00 C ATOM 443 O THR A 659 -6.086 6.285 -0.712 1.00 0.00 O ATOM 444 CB THR A 659 -5.980 6.641 -3.808 1.00 0.00 C ATOM 445 OG1 THR A 659 -5.384 7.415 -4.834 1.00 0.00 O ATOM 446 CG2 THR A 659 -7.070 7.484 -3.176 1.00 0.00 C ATOM 0 H THR A 659 -4.508 4.337 -3.741 1.00 0.00 H new ATOM 0 HA THR A 659 -4.328 7.027 -2.505 1.00 0.00 H new ATOM 0 HB THR A 659 -6.432 5.732 -4.204 1.00 0.00 H new ATOM 0 HG1 THR A 659 -6.074 7.710 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 659 -7.785 7.787 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 659 -7.582 6.902 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 659 -6.627 8.371 -2.722 1.00 0.00 H new ATOM 454 N GLY A 660 -5.570 4.232 -1.473 1.00 0.00 N ATOM 455 CA GLY A 660 -6.161 3.567 -0.331 1.00 0.00 C ATOM 456 C GLY A 660 -5.228 3.523 0.866 1.00 0.00 C ATOM 457 O GLY A 660 -5.595 3.937 1.966 1.00 0.00 O ATOM 0 H GLY A 660 -5.162 3.608 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 660 -7.081 4.081 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 660 -6.437 2.550 -0.610 1.00 0.00 H new ATOM 461 N VAL A 661 -4.018 3.016 0.648 1.00 0.00 N ATOM 462 CA VAL A 661 -3.018 2.912 1.706 1.00 0.00 C ATOM 463 C VAL A 661 -2.283 4.232 1.895 1.00 0.00 C ATOM 464 O VAL A 661 -2.317 4.829 2.969 1.00 0.00 O ATOM 465 CB VAL A 661 -1.998 1.791 1.411 1.00 0.00 C ATOM 466 CG1 VAL A 661 -0.889 1.777 2.456 1.00 0.00 C ATOM 467 CG2 VAL A 661 -2.694 0.439 1.350 1.00 0.00 C ATOM 0 H VAL A 661 -3.705 2.669 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 661 -3.550 2.666 2.625 1.00 0.00 H new ATOM 0 HB VAL A 661 -1.545 1.990 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 661 -0.183 0.979 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 661 -0.369 2.735 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 661 -1.321 1.607 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 661 -1.960 -0.339 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 661 -3.177 0.235 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 661 -3.444 0.451 0.559 1.00 0.00 H new ATOM 477 N VAL A 662 -1.611 4.671 0.835 1.00 0.00 N ATOM 478 CA VAL A 662 -0.851 5.915 0.852 1.00 0.00 C ATOM 479 C VAL A 662 -1.622 7.036 1.540 1.00 0.00 C ATOM 480 O VAL A 662 -1.035 7.922 2.158 1.00 0.00 O ATOM 481 CB VAL A 662 -0.494 6.345 -0.583 1.00 0.00 C ATOM 482 CG1 VAL A 662 -0.046 7.802 -0.629 1.00 0.00 C ATOM 483 CG2 VAL A 662 0.579 5.433 -1.158 1.00 0.00 C ATOM 0 H VAL A 662 -1.578 4.176 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 662 0.062 5.730 1.417 1.00 0.00 H new ATOM 0 HB VAL A 662 -1.391 6.255 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 662 0.199 8.075 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 662 -0.850 8.442 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 662 0.834 7.932 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 662 0.820 5.750 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 662 1.474 5.488 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 662 0.213 4.407 -1.176 1.00 0.00 H new ATOM 493 N ILE A 663 -2.936 6.990 1.421 1.00 0.00 N ATOM 494 CA ILE A 663 -3.787 7.999 2.022 1.00 0.00 C ATOM 495 C ILE A 663 -3.866 7.817 3.534 1.00 0.00 C ATOM 496 O ILE A 663 -3.936 8.789 4.285 1.00 0.00 O ATOM 497 CB ILE A 663 -5.191 7.959 1.391 1.00 0.00 C ATOM 498 CG1 ILE A 663 -5.830 9.348 1.420 1.00 0.00 C ATOM 499 CG2 ILE A 663 -6.087 6.936 2.078 1.00 0.00 C ATOM 500 CD1 ILE A 663 -5.229 10.311 0.419 1.00 0.00 C ATOM 0 H ILE A 663 -3.438 6.262 0.912 1.00 0.00 H new ATOM 0 HA ILE A 663 -3.348 8.978 1.827 1.00 0.00 H new ATOM 0 HB ILE A 663 -5.080 7.649 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 663 -6.898 9.252 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 663 -5.726 9.766 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 663 -7.069 6.937 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 663 -5.642 5.945 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 663 -6.192 7.193 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 663 -5.731 11.276 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 663 -4.167 10.437 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 663 -5.356 9.915 -0.589 1.00 0.00 H new ATOM 512 N ALA A 664 -3.832 6.563 3.971 1.00 0.00 N ATOM 513 CA ALA A 664 -3.875 6.244 5.390 1.00 0.00 C ATOM 514 C ALA A 664 -2.491 6.386 6.016 1.00 0.00 C ATOM 515 O ALA A 664 -2.361 6.596 7.222 1.00 0.00 O ATOM 516 CB ALA A 664 -4.411 4.835 5.599 1.00 0.00 C ATOM 0 H ALA A 664 -3.775 5.749 3.359 1.00 0.00 H new ATOM 0 HA ALA A 664 -4.546 6.949 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 664 -4.437 4.610 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 664 -5.418 4.764 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 664 -3.762 4.120 5.094 1.00 0.00 H new ATOM 522 N VAL A 665 -1.456 6.279 5.183 1.00 0.00 N ATOM 523 CA VAL A 665 -0.085 6.404 5.638 1.00 0.00 C ATOM 524 C VAL A 665 0.306 7.869 5.705 1.00 0.00 C ATOM 525 O VAL A 665 0.879 8.335 6.689 1.00 0.00 O ATOM 526 CB VAL A 665 0.887 5.673 4.694 1.00 0.00 C ATOM 527 CG1 VAL A 665 2.132 5.264 5.448 1.00 0.00 C ATOM 528 CG2 VAL A 665 0.223 4.462 4.050 1.00 0.00 C ATOM 0 H VAL A 665 -1.550 6.105 4.182 1.00 0.00 H new ATOM 0 HA VAL A 665 -0.022 5.951 6.627 1.00 0.00 H new ATOM 0 HB VAL A 665 1.170 6.358 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 665 2.814 4.748 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 665 2.622 6.151 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 665 1.859 4.598 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 665 0.934 3.966 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -0.097 3.767 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -0.644 4.786 3.474 1.00 0.00 H new ATOM 538 N ILE A 666 -0.030 8.587 4.644 1.00 0.00 N ATOM 539 CA ILE A 666 0.253 10.004 4.550 1.00 0.00 C ATOM 540 C ILE A 666 -0.570 10.772 5.571 1.00 0.00 C ATOM 541 O ILE A 666 -0.116 11.767 6.128 1.00 0.00 O ATOM 542 CB ILE A 666 -0.080 10.521 3.139 1.00 0.00 C ATOM 543 CG1 ILE A 666 0.925 9.978 2.121 1.00 0.00 C ATOM 544 CG2 ILE A 666 -0.102 12.041 3.107 1.00 0.00 C ATOM 545 CD1 ILE A 666 0.631 10.400 0.698 1.00 0.00 C ATOM 0 H ILE A 666 -0.505 8.201 3.828 1.00 0.00 H new ATOM 0 HA ILE A 666 1.314 10.157 4.750 1.00 0.00 H new ATOM 0 HB ILE A 666 -1.074 10.163 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 666 1.925 10.317 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 666 0.932 8.889 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -0.340 12.380 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -0.858 12.409 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 666 0.876 12.425 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 666 1.383 9.979 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -0.355 10.038 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 666 0.653 11.488 0.629 1.00 0.00 H new ATOM 557 N ALA A 667 -1.787 10.295 5.808 1.00 0.00 N ATOM 558 CA ALA A 667 -2.691 10.925 6.762 1.00 0.00 C ATOM 559 C ALA A 667 -1.947 11.356 8.022 1.00 0.00 C ATOM 560 O ALA A 667 -2.270 12.377 8.625 1.00 0.00 O ATOM 561 CB ALA A 667 -3.821 9.971 7.103 1.00 0.00 C ATOM 0 H ALA A 667 -2.171 9.469 5.349 1.00 0.00 H new ATOM 0 HA ALA A 667 -3.110 11.822 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 667 -4.495 10.445 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 667 -4.371 9.720 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 667 -3.410 9.062 7.542 1.00 0.00 H new ATOM 567 N LEU A 668 -0.942 10.573 8.403 1.00 0.00 N ATOM 568 CA LEU A 668 -0.141 10.870 9.575 1.00 0.00 C ATOM 569 C LEU A 668 0.981 11.843 9.232 1.00 0.00 C ATOM 570 O LEU A 668 1.027 12.962 9.745 1.00 0.00 O ATOM 571 CB LEU A 668 0.452 9.581 10.138 1.00 0.00 C ATOM 572 CG LEU A 668 1.297 9.753 11.399 1.00 0.00 C ATOM 573 CD1 LEU A 668 0.765 10.901 12.244 1.00 0.00 C ATOM 574 CD2 LEU A 668 1.316 8.458 12.196 1.00 0.00 C ATOM 0 H LEU A 668 -0.666 9.724 7.910 1.00 0.00 H new ATOM 0 HA LEU A 668 -0.785 11.332 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -0.362 8.890 10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 668 1.067 9.116 9.368 1.00 0.00 H new ATOM 0 HG LEU A 668 2.319 9.994 11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 668 1.379 11.009 13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 668 0.799 11.825 11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -0.265 10.693 12.534 1.00 0.00 H new ATOM 0 HD21 LEU A 668 1.921 8.592 13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 668 0.298 8.191 12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 668 1.742 7.662 11.586 1.00 0.00 H new ATOM 586 N PHE A 669 1.883 11.410 8.355 1.00 0.00 N ATOM 587 CA PHE A 669 3.005 12.243 7.932 1.00 0.00 C ATOM 588 C PHE A 669 2.512 13.603 7.452 1.00 0.00 C ATOM 589 O PHE A 669 3.234 14.597 7.513 1.00 0.00 O ATOM 590 CB PHE A 669 3.789 11.545 6.819 1.00 0.00 C ATOM 591 CG PHE A 669 5.211 12.015 6.700 1.00 0.00 C ATOM 592 CD1 PHE A 669 5.626 12.734 5.591 1.00 0.00 C ATOM 593 CD2 PHE A 669 6.131 11.737 7.698 1.00 0.00 C ATOM 594 CE1 PHE A 669 6.934 13.168 5.480 1.00 0.00 C ATOM 595 CE2 PHE A 669 7.440 12.168 7.592 1.00 0.00 C ATOM 596 CZ PHE A 669 7.842 12.885 6.481 1.00 0.00 C ATOM 0 H PHE A 669 1.859 10.486 7.923 1.00 0.00 H new ATOM 0 HA PHE A 669 3.663 12.396 8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 669 3.784 10.470 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 669 3.280 11.709 5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 669 4.920 12.958 4.805 1.00 0.00 H new ATOM 0 HD2 PHE A 669 5.822 11.177 8.568 1.00 0.00 H new ATOM 0 HE1 PHE A 669 7.245 13.728 4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 669 8.148 11.945 8.377 1.00 0.00 H new ATOM 0 HZ PHE A 669 8.864 13.223 6.396 1.00 0.00 H new ATOM 606 N ALA A 670 1.271 13.633 6.982 1.00 0.00 N ATOM 607 CA ALA A 670 0.661 14.858 6.495 1.00 0.00 C ATOM 608 C ALA A 670 0.395 15.833 7.641 1.00 0.00 C ATOM 609 O ALA A 670 0.272 17.037 7.421 1.00 0.00 O ATOM 610 CB ALA A 670 -0.628 14.538 5.748 1.00 0.00 C ATOM 0 H ALA A 670 0.665 12.814 6.929 1.00 0.00 H new ATOM 0 HA ALA A 670 1.356 15.339 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -1.078 15.463 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -0.406 13.887 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -1.323 14.035 6.420 1.00 0.00 H new ATOM 616 N ILE A 671 0.310 15.310 8.866 1.00 0.00 N ATOM 617 CA ILE A 671 0.062 16.148 10.033 1.00 0.00 C ATOM 618 C ILE A 671 1.351 16.744 10.562 1.00 0.00 C ATOM 619 O ILE A 671 1.398 17.908 10.956 1.00 0.00 O ATOM 620 CB ILE A 671 -0.615 15.360 11.166 1.00 0.00 C ATOM 621 CG1 ILE A 671 -1.768 14.518 10.622 1.00 0.00 C ATOM 622 CG2 ILE A 671 -1.105 16.309 12.243 1.00 0.00 C ATOM 623 CD1 ILE A 671 -2.802 15.322 9.865 1.00 0.00 C ATOM 0 H ILE A 671 0.409 14.316 9.071 1.00 0.00 H new ATOM 0 HA ILE A 671 -0.605 16.945 9.705 1.00 0.00 H new ATOM 0 HB ILE A 671 0.118 14.684 11.607 1.00 0.00 H new ATOM 0 HG12 ILE A 671 -1.365 13.748 9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 671 -2.255 14.005 11.451 1.00 0.00 H new ATOM 0 HG21 ILE A 671 -1.583 15.739 13.040 1.00 0.00 H new ATOM 0 HG22 ILE A 671 -0.260 16.865 12.650 1.00 0.00 H new ATOM 0 HG23 ILE A 671 -1.825 17.006 11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 671 -3.590 14.658 9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 671 -3.233 16.074 10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 671 -2.330 15.814 9.015 1.00 0.00 H new ATOM 635 N ALA A 672 2.394 15.938 10.564 1.00 0.00 N ATOM 636 CA ALA A 672 3.694 16.373 11.038 1.00 0.00 C ATOM 637 C ALA A 672 4.192 17.563 10.233 1.00 0.00 C ATOM 638 O ALA A 672 4.901 18.428 10.744 1.00 0.00 O ATOM 639 CB ALA A 672 4.665 15.226 10.931 1.00 0.00 C ATOM 0 H ALA A 672 2.366 14.971 10.240 1.00 0.00 H new ATOM 0 HA ALA A 672 3.609 16.686 12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 672 5.645 15.545 11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 672 4.312 14.393 11.539 1.00 0.00 H new ATOM 0 HB3 ALA A 672 4.741 14.909 9.891 1.00 0.00 H new ATOM 645 N LYS A 673 3.811 17.595 8.968 1.00 0.00 N ATOM 646 CA LYS A 673 4.204 18.679 8.078 1.00 0.00 C ATOM 647 C LYS A 673 3.182 19.812 8.120 1.00 0.00 C ATOM 648 O LYS A 673 3.471 20.936 7.709 1.00 0.00 O ATOM 649 CB LYS A 673 4.377 18.175 6.638 1.00 0.00 C ATOM 650 CG LYS A 673 3.444 17.030 6.259 1.00 0.00 C ATOM 651 CD LYS A 673 2.714 17.304 4.951 1.00 0.00 C ATOM 652 CE LYS A 673 3.155 16.353 3.848 1.00 0.00 C ATOM 653 NZ LYS A 673 3.755 17.079 2.694 1.00 0.00 N ATOM 0 H LYS A 673 3.228 16.881 8.531 1.00 0.00 H new ATOM 0 HA LYS A 673 5.163 19.062 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 673 4.211 19.006 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 673 5.408 17.849 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 673 4.018 16.108 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 673 2.716 16.875 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 673 1.640 17.206 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 673 2.899 18.332 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 673 3.881 15.645 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 673 2.298 15.772 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 673 4.042 16.395 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 673 3.055 17.737 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 673 4.588 17.613 3.015 1.00 0.00 H new ATOM 667 N PHE A 674 1.985 19.508 8.615 1.00 0.00 N ATOM 668 CA PHE A 674 0.921 20.499 8.706 1.00 0.00 C ATOM 669 C PHE A 674 0.935 21.199 10.060 1.00 0.00 C ATOM 670 O PHE A 674 0.617 22.383 10.161 1.00 0.00 O ATOM 671 CB PHE A 674 -0.434 19.831 8.491 1.00 0.00 C ATOM 672 CG PHE A 674 -1.543 20.799 8.193 1.00 0.00 C ATOM 673 CD1 PHE A 674 -2.090 21.577 9.201 1.00 0.00 C ATOM 674 CD2 PHE A 674 -2.038 20.930 6.906 1.00 0.00 C ATOM 675 CE1 PHE A 674 -3.111 22.468 8.930 1.00 0.00 C ATOM 676 CE2 PHE A 674 -3.059 21.820 6.629 1.00 0.00 C ATOM 677 CZ PHE A 674 -3.596 22.589 7.643 1.00 0.00 C ATOM 0 H PHE A 674 1.729 18.582 8.959 1.00 0.00 H new ATOM 0 HA PHE A 674 1.089 21.246 7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -0.353 19.121 7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -0.693 19.259 9.382 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -1.714 21.486 10.209 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -1.622 20.330 6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -3.529 23.069 9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -3.436 21.914 5.621 1.00 0.00 H new ATOM 0 HZ PHE A 674 -4.394 23.284 7.429 1.00 0.00 H new ATOM 687 N VAL A 675 1.301 20.458 11.101 1.00 0.00 N ATOM 688 CA VAL A 675 1.350 21.013 12.448 1.00 0.00 C ATOM 689 C VAL A 675 2.752 21.507 12.795 1.00 0.00 C ATOM 690 O VAL A 675 2.940 22.222 13.780 1.00 0.00 O ATOM 691 CB VAL A 675 0.900 19.978 13.497 1.00 0.00 C ATOM 692 CG1 VAL A 675 0.863 20.599 14.886 1.00 0.00 C ATOM 693 CG2 VAL A 675 -0.458 19.401 13.128 1.00 0.00 C ATOM 0 H VAL A 675 1.567 19.475 11.038 1.00 0.00 H new ATOM 0 HA VAL A 675 0.662 21.858 12.466 1.00 0.00 H new ATOM 0 HB VAL A 675 1.626 19.165 13.510 1.00 0.00 H new ATOM 0 HG11 VAL A 675 0.543 19.851 15.611 1.00 0.00 H new ATOM 0 HG12 VAL A 675 1.858 20.958 15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 675 0.162 21.434 14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -0.760 18.672 13.880 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -1.194 20.203 13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -0.394 18.914 12.155 1.00 0.00 H new ATOM 703 N PHE A 676 3.733 21.128 11.981 1.00 0.00 N ATOM 704 CA PHE A 676 5.113 21.544 12.210 1.00 0.00 C ATOM 705 C PHE A 676 5.733 22.091 10.928 1.00 0.00 C ATOM 706 O PHE A 676 5.160 21.851 9.845 1.00 0.00 O ATOM 707 CB PHE A 676 5.952 20.376 12.735 1.00 0.00 C ATOM 708 CG PHE A 676 5.263 19.556 13.790 1.00 0.00 C ATOM 709 CD1 PHE A 676 4.169 18.767 13.473 1.00 0.00 C ATOM 710 CD2 PHE A 676 5.716 19.571 15.100 1.00 0.00 C ATOM 711 CE1 PHE A 676 3.540 18.009 14.442 1.00 0.00 C ATOM 712 CE2 PHE A 676 5.090 18.816 16.073 1.00 0.00 C ATOM 713 CZ PHE A 676 4.000 18.034 15.744 1.00 0.00 C ATOM 714 OXT PHE A 676 6.787 22.756 11.018 1.00 0.00 O ATOM 0 H PHE A 676 3.599 20.536 11.161 1.00 0.00 H new ATOM 0 HA PHE A 676 5.103 22.335 12.960 1.00 0.00 H new ATOM 0 HB2 PHE A 676 6.216 19.727 11.900 1.00 0.00 H new ATOM 0 HB3 PHE A 676 6.884 20.766 13.143 1.00 0.00 H new ATOM 0 HD1 PHE A 676 3.804 18.744 12.457 1.00 0.00 H new ATOM 0 HD2 PHE A 676 6.568 20.180 15.363 1.00 0.00 H new ATOM 0 HE1 PHE A 676 2.689 17.397 14.181 1.00 0.00 H new ATOM 0 HE2 PHE A 676 5.453 18.837 17.090 1.00 0.00 H new ATOM 0 HZ PHE A 676 3.509 17.444 16.503 1.00 0.00 H new