USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=6 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 Set 1.1: A 646 THR OG1 : rot -48:sc= 0.43 USER MOD Set 1.2: A 650 GLN : amide:sc= -2.03 K(o=-1.6,f=-2.9!) USER MOD Single : A 631 SER OG : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 161:sc= -0.0089 (180deg=-0.184) USER MOD Single : A 634 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 638 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 641 ASN :FLIP amide:sc= -0.517 F(o=-1.4,f=-0.52) USER MOD Single : A 643 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.8) 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 11.132 -23.364 1.078 1.00 0.00 N ATOM 2 CA GLY A 630 10.353 -22.511 0.138 1.00 0.00 C ATOM 3 C GLY A 630 10.773 -22.707 -1.305 1.00 0.00 C ATOM 4 O GLY A 630 11.503 -23.646 -1.623 1.00 0.00 O ATOM 0 HA2 GLY A 630 9.292 -22.740 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 630 10.481 -21.464 0.411 1.00 0.00 H new ATOM 10 N SER A 631 10.312 -21.820 -2.180 1.00 0.00 N ATOM 11 CA SER A 631 10.646 -21.900 -3.597 1.00 0.00 C ATOM 12 C SER A 631 11.352 -20.631 -4.062 1.00 0.00 C ATOM 13 O SER A 631 12.313 -20.692 -4.829 1.00 0.00 O ATOM 14 CB SER A 631 9.384 -22.133 -4.429 1.00 0.00 C ATOM 15 OG SER A 631 9.174 -23.515 -4.662 1.00 0.00 O ATOM 0 H SER A 631 9.706 -21.038 -1.933 1.00 0.00 H new ATOM 0 HA SER A 631 11.324 -22.742 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 631 8.521 -21.713 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 631 9.471 -21.610 -5.381 1.00 0.00 H new ATOM 0 HG SER A 631 8.360 -23.637 -5.194 1.00 0.00 H new ATOM 21 N ASP A 632 10.877 -19.482 -3.591 1.00 0.00 N ATOM 22 CA ASP A 632 11.475 -18.206 -3.961 1.00 0.00 C ATOM 23 C ASP A 632 11.500 -17.238 -2.776 1.00 0.00 C ATOM 24 O ASP A 632 12.383 -17.314 -1.922 1.00 0.00 O ATOM 25 CB ASP A 632 10.739 -17.593 -5.155 1.00 0.00 C ATOM 26 CG ASP A 632 11.335 -16.267 -5.587 1.00 0.00 C ATOM 27 OD1 ASP A 632 12.234 -16.275 -6.454 1.00 0.00 O ATOM 28 OD2 ASP A 632 10.902 -15.221 -5.059 1.00 0.00 O ATOM 0 H ASP A 632 10.083 -19.409 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 632 12.508 -18.392 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 632 10.768 -18.290 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 632 9.690 -17.449 -4.896 1.00 0.00 H new ATOM 33 N LYS A 633 10.534 -16.330 -2.735 1.00 0.00 N ATOM 34 CA LYS A 633 10.442 -15.342 -1.664 1.00 0.00 C ATOM 35 C LYS A 633 10.478 -16.004 -0.290 1.00 0.00 C ATOM 36 O LYS A 633 11.098 -15.489 0.641 1.00 0.00 O ATOM 37 CB LYS A 633 9.157 -14.525 -1.809 1.00 0.00 C ATOM 38 CG LYS A 633 7.903 -15.378 -1.907 1.00 0.00 C ATOM 39 CD LYS A 633 6.741 -14.597 -2.501 1.00 0.00 C ATOM 40 CE LYS A 633 5.720 -14.223 -1.439 1.00 0.00 C ATOM 41 NZ LYS A 633 6.343 -13.488 -0.303 1.00 0.00 N ATOM 0 H LYS A 633 9.797 -16.256 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 633 11.305 -14.682 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 633 9.064 -13.854 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 633 9.232 -13.900 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 633 8.106 -16.255 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 633 7.630 -15.740 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 633 7.116 -13.693 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 633 6.259 -15.193 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.940 -13.606 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 633 5.237 -15.126 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 5.607 -12.978 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 6.818 -14.164 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 7.040 -12.808 -0.670 1.00 0.00 H new ATOM 55 N THR A 634 9.815 -17.149 -0.170 1.00 0.00 N ATOM 56 CA THR A 634 9.781 -17.879 1.098 1.00 0.00 C ATOM 57 C THR A 634 9.080 -19.221 0.964 1.00 0.00 C ATOM 58 O THR A 634 9.317 -20.145 1.741 1.00 0.00 O ATOM 59 CB THR A 634 9.116 -17.037 2.190 1.00 0.00 C ATOM 60 OG1 THR A 634 8.546 -15.861 1.642 1.00 0.00 O ATOM 61 CG2 THR A 634 10.074 -16.616 3.284 1.00 0.00 C ATOM 0 H THR A 634 9.296 -17.592 -0.928 1.00 0.00 H new ATOM 0 HA THR A 634 10.814 -18.076 1.384 1.00 0.00 H new ATOM 0 HB THR A 634 8.350 -17.680 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 634 8.125 -15.338 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 634 9.540 -16.022 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 634 10.493 -17.502 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 634 10.879 -16.020 2.853 1.00 0.00 H new ATOM 69 N LEU A 635 8.232 -19.312 -0.031 1.00 0.00 N ATOM 70 CA LEU A 635 7.484 -20.531 -0.314 1.00 0.00 C ATOM 71 C LEU A 635 6.457 -20.296 -1.414 1.00 0.00 C ATOM 72 O LEU A 635 6.438 -21.014 -2.414 1.00 0.00 O ATOM 73 CB LEU A 635 6.802 -21.066 0.953 1.00 0.00 C ATOM 74 CG LEU A 635 5.704 -22.116 0.725 1.00 0.00 C ATOM 75 CD1 LEU A 635 4.414 -21.457 0.256 1.00 0.00 C ATOM 76 CD2 LEU A 635 6.162 -23.168 -0.278 1.00 0.00 C ATOM 0 H LEU A 635 8.034 -18.545 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 635 8.193 -21.282 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 635 7.565 -21.500 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 635 6.368 -20.224 1.493 1.00 0.00 H new ATOM 0 HG LEU A 635 5.509 -22.611 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 635 3.651 -22.220 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 635 4.072 -20.749 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 635 4.595 -20.929 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 635 5.369 -23.901 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 635 6.392 -22.688 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 635 7.053 -23.668 0.101 1.00 0.00 H new ATOM 88 N PRO A 636 5.599 -19.275 -1.265 1.00 0.00 N ATOM 89 CA PRO A 636 4.595 -18.962 -2.278 1.00 0.00 C ATOM 90 C PRO A 636 5.255 -18.734 -3.629 1.00 0.00 C ATOM 91 O PRO A 636 4.632 -18.896 -4.678 1.00 0.00 O ATOM 92 CB PRO A 636 3.941 -17.674 -1.773 1.00 0.00 C ATOM 93 CG PRO A 636 4.267 -17.602 -0.319 1.00 0.00 C ATOM 94 CD PRO A 636 5.562 -18.341 -0.130 1.00 0.00 C ATOM 0 HA PRO A 636 3.875 -19.768 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 636 4.327 -16.804 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 636 2.863 -17.693 -1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 636 4.362 -16.566 0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 636 3.474 -18.052 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 636 6.415 -17.663 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 636 5.587 -18.868 0.824 1.00 0.00 H new ATOM 102 N ASP A 637 6.538 -18.371 -3.573 1.00 0.00 N ATOM 103 CA ASP A 637 7.353 -18.119 -4.759 1.00 0.00 C ATOM 104 C ASP A 637 6.522 -17.663 -5.953 1.00 0.00 C ATOM 105 O ASP A 637 6.661 -18.177 -7.063 1.00 0.00 O ATOM 106 CB ASP A 637 8.161 -19.367 -5.103 1.00 0.00 C ATOM 107 CG ASP A 637 7.325 -20.449 -5.762 1.00 0.00 C ATOM 108 OD1 ASP A 637 6.491 -21.063 -5.062 1.00 0.00 O ATOM 109 OD2 ASP A 637 7.503 -20.681 -6.976 1.00 0.00 O ATOM 0 H ASP A 637 7.043 -18.243 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 637 8.033 -17.300 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 637 8.980 -19.092 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 637 8.610 -19.765 -4.193 1.00 0.00 H new ATOM 114 N GLN A 638 5.668 -16.685 -5.703 1.00 0.00 N ATOM 115 CA GLN A 638 4.800 -16.119 -6.734 1.00 0.00 C ATOM 116 C GLN A 638 4.186 -17.208 -7.612 1.00 0.00 C ATOM 117 O GLN A 638 4.578 -17.386 -8.765 1.00 0.00 O ATOM 118 CB GLN A 638 5.585 -15.126 -7.595 1.00 0.00 C ATOM 119 CG GLN A 638 6.869 -15.697 -8.175 1.00 0.00 C ATOM 120 CD GLN A 638 7.533 -14.754 -9.159 1.00 0.00 C ATOM 121 OE1 GLN A 638 8.492 -14.060 -8.821 1.00 0.00 O ATOM 122 NE2 GLN A 638 7.025 -14.724 -10.386 1.00 0.00 N ATOM 0 H GLN A 638 5.553 -16.259 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 638 3.984 -15.597 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 638 4.949 -14.785 -8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 638 5.827 -14.250 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 638 7.563 -15.918 -7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 638 6.650 -16.641 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 638 6.229 -15.316 -10.623 1.00 0.00 H new ATOM 0 HE22 GLN A 638 7.431 -14.109 -11.091 1.00 0.00 H new ATOM 131 N GLY A 639 3.220 -17.933 -7.057 1.00 0.00 N ATOM 132 CA GLY A 639 2.569 -18.994 -7.803 1.00 0.00 C ATOM 133 C GLY A 639 1.060 -18.967 -7.656 1.00 0.00 C ATOM 134 O GLY A 639 0.332 -19.114 -8.637 1.00 0.00 O ATOM 0 H GLY A 639 2.877 -17.805 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 639 2.830 -18.905 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 639 2.947 -19.958 -7.462 1.00 0.00 H new ATOM 138 N ASP A 640 0.591 -18.780 -6.426 1.00 0.00 N ATOM 139 CA ASP A 640 -0.841 -18.736 -6.155 1.00 0.00 C ATOM 140 C ASP A 640 -1.341 -17.296 -6.091 1.00 0.00 C ATOM 141 O ASP A 640 -1.716 -16.803 -5.027 1.00 0.00 O ATOM 142 CB ASP A 640 -1.154 -19.459 -4.843 1.00 0.00 C ATOM 143 CG ASP A 640 -0.589 -20.865 -4.809 1.00 0.00 C ATOM 144 OD1 ASP A 640 0.202 -21.165 -3.890 1.00 0.00 O ATOM 145 OD2 ASP A 640 -0.936 -21.666 -5.702 1.00 0.00 O ATOM 0 H ASP A 640 1.181 -18.657 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 640 -1.356 -19.241 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 640 -0.747 -18.886 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 640 -2.234 -19.501 -4.703 1.00 0.00 H new ATOM 150 N ASN A 641 -1.345 -16.626 -7.240 1.00 0.00 N ATOM 151 CA ASN A 641 -1.801 -15.242 -7.318 1.00 0.00 C ATOM 152 C ASN A 641 -0.924 -14.327 -6.468 1.00 0.00 C ATOM 153 O ASN A 641 -1.235 -14.057 -5.308 1.00 0.00 O ATOM 154 CB ASN A 641 -3.258 -15.137 -6.864 1.00 0.00 C ATOM 155 CG ASN A 641 -4.007 -14.026 -7.574 1.00 0.00 C ATOM 156 OD1 ASN A 641 -4.140 -12.884 -6.910 1.00 0.00 O flip ATOM 157 ND2 ASN A 641 -4.460 -14.192 -8.707 1.00 0.00 N flip ATOM 0 H ASN A 641 -1.038 -17.019 -8.130 1.00 0.00 H new ATOM 0 HA ASN A 641 -1.726 -14.921 -8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 641 -3.762 -16.086 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 641 -3.289 -14.962 -5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 641 -4.334 -15.087 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 641 -4.961 -13.435 -9.172 1.00 0.00 H new ATOM 164 N ASP A 642 0.169 -13.850 -7.055 1.00 0.00 N ATOM 165 CA ASP A 642 1.090 -12.961 -6.353 1.00 0.00 C ATOM 166 C ASP A 642 0.408 -11.644 -5.991 1.00 0.00 C ATOM 167 O ASP A 642 0.821 -10.955 -5.059 1.00 0.00 O ATOM 168 CB ASP A 642 2.322 -12.686 -7.216 1.00 0.00 C ATOM 169 CG ASP A 642 1.961 -12.311 -8.640 1.00 0.00 C ATOM 170 OD1 ASP A 642 1.238 -13.092 -9.294 1.00 0.00 O ATOM 171 OD2 ASP A 642 2.400 -11.236 -9.100 1.00 0.00 O ATOM 0 H ASP A 642 0.439 -14.064 -8.015 1.00 0.00 H new ATOM 0 HA ASP A 642 1.400 -13.455 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 642 2.903 -11.880 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 642 2.959 -13.571 -7.227 1.00 0.00 H new ATOM 176 N ASN A 643 -0.637 -11.303 -6.736 1.00 0.00 N ATOM 177 CA ASN A 643 -1.382 -10.070 -6.505 1.00 0.00 C ATOM 178 C ASN A 643 -1.929 -9.993 -5.079 1.00 0.00 C ATOM 179 O ASN A 643 -2.308 -8.918 -4.613 1.00 0.00 O ATOM 180 CB ASN A 643 -2.535 -9.962 -7.502 1.00 0.00 C ATOM 181 CG ASN A 643 -2.062 -9.598 -8.895 1.00 0.00 C ATOM 182 OD1 ASN A 643 -1.259 -10.311 -9.496 1.00 0.00 O ATOM 183 ND2 ASN A 643 -2.557 -8.481 -9.415 1.00 0.00 N ATOM 0 H ASN A 643 -0.990 -11.866 -7.510 1.00 0.00 H new ATOM 0 HA ASN A 643 -0.691 -9.239 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 643 -3.070 -10.911 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 643 -3.244 -9.210 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 643 -2.274 -8.184 -10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 643 -3.221 -7.920 -8.881 1.00 0.00 H new ATOM 190 N TRP A 644 -1.976 -11.131 -4.389 1.00 0.00 N ATOM 191 CA TRP A 644 -2.487 -11.174 -3.020 1.00 0.00 C ATOM 192 C TRP A 644 -1.866 -10.072 -2.162 1.00 0.00 C ATOM 193 O TRP A 644 -2.548 -9.449 -1.348 1.00 0.00 O ATOM 194 CB TRP A 644 -2.212 -12.544 -2.391 1.00 0.00 C ATOM 195 CG TRP A 644 -0.771 -12.763 -2.042 1.00 0.00 C ATOM 196 CD1 TRP A 644 0.264 -12.942 -2.912 1.00 0.00 C ATOM 197 CD2 TRP A 644 -0.206 -12.823 -0.727 1.00 0.00 C ATOM 198 NE1 TRP A 644 1.439 -13.107 -2.221 1.00 0.00 N ATOM 199 CE2 TRP A 644 1.177 -13.039 -0.878 1.00 0.00 C ATOM 200 CE3 TRP A 644 -0.735 -12.713 0.562 1.00 0.00 C ATOM 201 CZ2 TRP A 644 2.036 -13.148 0.213 1.00 0.00 C ATOM 202 CZ3 TRP A 644 0.119 -12.822 1.643 1.00 0.00 C ATOM 203 CH2 TRP A 644 1.491 -13.037 1.463 1.00 0.00 C ATOM 0 H TRP A 644 -1.668 -12.032 -4.753 1.00 0.00 H new ATOM 0 HA TRP A 644 -3.564 -11.009 -3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 644 -2.816 -12.649 -1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 644 -2.533 -13.323 -3.082 1.00 0.00 H new ATOM 0 HD1 TRP A 644 0.173 -12.952 -3.988 1.00 0.00 H new ATOM 0 HE1 TRP A 644 2.357 -13.256 -2.639 1.00 0.00 H new ATOM 0 HE3 TRP A 644 -1.792 -12.546 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 644 3.094 -13.314 0.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 644 -0.279 -12.740 2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 644 2.132 -13.117 2.329 1.00 0.00 H new ATOM 214 N TRP A 645 -0.570 -9.840 -2.348 1.00 0.00 N ATOM 215 CA TRP A 645 0.138 -8.815 -1.589 1.00 0.00 C ATOM 216 C TRP A 645 0.977 -7.924 -2.504 1.00 0.00 C ATOM 217 O TRP A 645 1.862 -7.205 -2.039 1.00 0.00 O ATOM 218 CB TRP A 645 1.033 -9.464 -0.531 1.00 0.00 C ATOM 219 CG TRP A 645 1.347 -8.558 0.621 1.00 0.00 C ATOM 220 CD1 TRP A 645 0.620 -7.480 1.039 1.00 0.00 C ATOM 221 CD2 TRP A 645 2.473 -8.649 1.502 1.00 0.00 C ATOM 222 NE1 TRP A 645 1.225 -6.896 2.126 1.00 0.00 N ATOM 223 CE2 TRP A 645 2.363 -7.596 2.430 1.00 0.00 C ATOM 224 CE3 TRP A 645 3.562 -9.521 1.598 1.00 0.00 C ATOM 225 CZ2 TRP A 645 3.301 -7.391 3.438 1.00 0.00 C ATOM 226 CZ3 TRP A 645 4.492 -9.316 2.599 1.00 0.00 C ATOM 227 CH2 TRP A 645 4.357 -8.259 3.508 1.00 0.00 C ATOM 0 H TRP A 645 0.010 -10.347 -3.016 1.00 0.00 H new ATOM 0 HA TRP A 645 -0.608 -8.190 -1.097 1.00 0.00 H new ATOM 0 HB2 TRP A 645 0.544 -10.362 -0.154 1.00 0.00 H new ATOM 0 HB3 TRP A 645 1.965 -9.781 -0.999 1.00 0.00 H new ATOM 0 HD1 TRP A 645 -0.296 -7.137 0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 645 0.883 -6.075 2.625 1.00 0.00 H new ATOM 0 HE3 TRP A 645 3.674 -10.340 0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 645 3.199 -6.576 4.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 645 5.338 -9.982 2.682 1.00 0.00 H new ATOM 0 HH2 TRP A 645 5.101 -8.126 4.280 1.00 0.00 H new ATOM 238 N THR A 646 0.695 -7.968 -3.804 1.00 0.00 N ATOM 239 CA THR A 646 1.428 -7.157 -4.770 1.00 0.00 C ATOM 240 C THR A 646 0.565 -6.843 -5.992 1.00 0.00 C ATOM 241 O THR A 646 1.082 -6.557 -7.072 1.00 0.00 O ATOM 242 CB THR A 646 2.714 -7.869 -5.198 1.00 0.00 C ATOM 243 OG1 THR A 646 3.570 -6.982 -5.896 1.00 0.00 O ATOM 244 CG2 THR A 646 2.475 -9.070 -6.088 1.00 0.00 C ATOM 0 H THR A 646 -0.033 -8.555 -4.211 1.00 0.00 H new ATOM 0 HA THR A 646 1.690 -6.215 -4.289 1.00 0.00 H new ATOM 0 HB THR A 646 3.170 -8.214 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 646 3.058 -6.504 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 646 3.430 -9.524 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 646 1.861 -9.799 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 646 1.961 -8.754 -6.996 1.00 0.00 H new ATOM 252 N GLY A 647 -0.752 -6.895 -5.812 1.00 0.00 N ATOM 253 CA GLY A 647 -1.665 -6.610 -6.904 1.00 0.00 C ATOM 254 C GLY A 647 -2.880 -5.830 -6.443 1.00 0.00 C ATOM 255 O GLY A 647 -2.829 -4.607 -6.318 1.00 0.00 O ATOM 0 H GLY A 647 -1.203 -7.130 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 647 -1.142 -6.043 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 647 -1.987 -7.546 -7.360 1.00 0.00 H new ATOM 259 N TRP A 648 -3.974 -6.538 -6.181 1.00 0.00 N ATOM 260 CA TRP A 648 -5.201 -5.899 -5.720 1.00 0.00 C ATOM 261 C TRP A 648 -4.995 -5.262 -4.347 1.00 0.00 C ATOM 262 O TRP A 648 -5.714 -4.343 -3.959 1.00 0.00 O ATOM 263 CB TRP A 648 -6.344 -6.914 -5.664 1.00 0.00 C ATOM 264 CG TRP A 648 -5.994 -8.166 -4.920 1.00 0.00 C ATOM 265 CD1 TRP A 648 -5.447 -9.303 -5.441 1.00 0.00 C ATOM 266 CD2 TRP A 648 -6.169 -8.409 -3.519 1.00 0.00 C ATOM 267 NE1 TRP A 648 -5.270 -10.238 -4.450 1.00 0.00 N ATOM 268 CE2 TRP A 648 -5.705 -9.713 -3.261 1.00 0.00 C ATOM 269 CE3 TRP A 648 -6.672 -7.651 -2.458 1.00 0.00 C ATOM 270 CZ2 TRP A 648 -5.730 -10.274 -1.987 1.00 0.00 C ATOM 271 CZ3 TRP A 648 -6.696 -8.209 -1.193 1.00 0.00 C ATOM 272 CH2 TRP A 648 -6.227 -9.509 -0.967 1.00 0.00 C ATOM 0 H TRP A 648 -4.036 -7.551 -6.280 1.00 0.00 H new ATOM 0 HA TRP A 648 -5.463 -5.114 -6.430 1.00 0.00 H new ATOM 0 HB2 TRP A 648 -7.209 -6.449 -5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 648 -6.638 -7.175 -6.681 1.00 0.00 H new ATOM 0 HD1 TRP A 648 -5.191 -9.447 -6.480 1.00 0.00 H new ATOM 0 HE1 TRP A 648 -4.879 -11.171 -4.578 1.00 0.00 H new ATOM 0 HE3 TRP A 648 -7.035 -6.647 -2.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 648 -5.370 -11.277 -1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 648 -7.083 -7.633 -0.366 1.00 0.00 H new ATOM 0 HH2 TRP A 648 -6.258 -9.916 0.033 1.00 0.00 H new ATOM 283 N ARG A 649 -3.991 -5.743 -3.622 1.00 0.00 N ATOM 284 CA ARG A 649 -3.673 -5.209 -2.312 1.00 0.00 C ATOM 285 C ARG A 649 -2.742 -4.019 -2.462 1.00 0.00 C ATOM 286 O ARG A 649 -2.670 -3.152 -1.592 1.00 0.00 O ATOM 287 CB ARG A 649 -3.015 -6.285 -1.448 1.00 0.00 C ATOM 288 CG ARG A 649 -3.499 -6.293 -0.008 1.00 0.00 C ATOM 289 CD ARG A 649 -2.813 -7.379 0.807 1.00 0.00 C ATOM 290 NE ARG A 649 -3.766 -8.355 1.330 1.00 0.00 N ATOM 291 CZ ARG A 649 -3.506 -9.179 2.342 1.00 0.00 C ATOM 292 NH1 ARG A 649 -2.324 -9.146 2.947 1.00 0.00 N ATOM 293 NH2 ARG A 649 -4.430 -10.037 2.752 1.00 0.00 N ATOM 0 H ARG A 649 -3.384 -6.505 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 649 -4.593 -4.887 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 649 -3.207 -7.262 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 649 -1.935 -6.136 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 649 -3.308 -5.321 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 649 -4.578 -6.448 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 649 -2.077 -7.888 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 649 -2.270 -6.923 1.635 1.00 0.00 H new ATOM 0 HE ARG A 649 -4.686 -8.408 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 649 -1.610 -8.487 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 649 -2.130 -9.780 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 649 -5.340 -10.065 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 649 -4.231 -10.669 3.528 1.00 0.00 H new ATOM 307 N GLN A 650 -2.022 -3.995 -3.580 1.00 0.00 N ATOM 308 CA GLN A 650 -1.086 -2.926 -3.854 1.00 0.00 C ATOM 309 C GLN A 650 -1.751 -1.797 -4.636 1.00 0.00 C ATOM 310 O GLN A 650 -1.405 -0.628 -4.468 1.00 0.00 O ATOM 311 CB GLN A 650 0.127 -3.467 -4.614 1.00 0.00 C ATOM 312 CG GLN A 650 1.338 -2.551 -4.561 1.00 0.00 C ATOM 313 CD GLN A 650 2.167 -2.605 -5.829 1.00 0.00 C ATOM 314 OE1 GLN A 650 2.079 -1.721 -6.681 1.00 0.00 O ATOM 315 NE2 GLN A 650 2.981 -3.647 -5.960 1.00 0.00 N ATOM 0 H GLN A 650 -2.074 -4.708 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 650 -0.749 -2.517 -2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 650 0.399 -4.439 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 650 -0.150 -3.629 -5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 650 1.007 -1.527 -4.392 1.00 0.00 H new ATOM 0 HG3 GLN A 650 1.962 -2.829 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 650 3.022 -4.357 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 650 3.565 -3.737 -6.792 1.00 0.00 H new ATOM 324 N TRP A 651 -2.705 -2.153 -5.490 1.00 0.00 N ATOM 325 CA TRP A 651 -3.422 -1.168 -6.294 1.00 0.00 C ATOM 326 C TRP A 651 -4.536 -1.827 -7.102 1.00 0.00 C ATOM 327 O TRP A 651 -4.470 -1.891 -8.330 1.00 0.00 O ATOM 328 CB TRP A 651 -2.455 -0.455 -7.236 1.00 0.00 C ATOM 329 CG TRP A 651 -1.617 -1.402 -8.031 1.00 0.00 C ATOM 330 CD1 TRP A 651 -0.523 -2.083 -7.591 1.00 0.00 C ATOM 331 CD2 TRP A 651 -1.805 -1.781 -9.399 1.00 0.00 C ATOM 332 NE1 TRP A 651 -0.020 -2.868 -8.596 1.00 0.00 N ATOM 333 CE2 TRP A 651 -0.787 -2.699 -9.719 1.00 0.00 C ATOM 334 CE3 TRP A 651 -2.736 -1.437 -10.384 1.00 0.00 C ATOM 335 CZ2 TRP A 651 -0.674 -3.275 -10.982 1.00 0.00 C ATOM 336 CZ3 TRP A 651 -2.621 -2.009 -11.638 1.00 0.00 C ATOM 337 CH2 TRP A 651 -1.597 -2.920 -11.926 1.00 0.00 C ATOM 0 H TRP A 651 -3.000 -3.117 -5.644 1.00 0.00 H new ATOM 0 HA TRP A 651 -3.870 -0.441 -5.617 1.00 0.00 H new ATOM 0 HB2 TRP A 651 -3.021 0.181 -7.916 1.00 0.00 H new ATOM 0 HB3 TRP A 651 -1.804 0.199 -6.655 1.00 0.00 H new ATOM 0 HD1 TRP A 651 -0.111 -2.015 -6.595 1.00 0.00 H new ATOM 0 HE1 TRP A 651 0.793 -3.479 -8.520 1.00 0.00 H new ATOM 0 HE3 TRP A 651 -3.530 -0.737 -10.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 651 0.115 -3.977 -11.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 651 -3.333 -1.749 -12.408 1.00 0.00 H new ATOM 0 HH2 TRP A 651 -1.535 -3.351 -12.914 1.00 0.00 H new ATOM 348 N ILE A 652 -5.559 -2.319 -6.411 1.00 0.00 N ATOM 349 CA ILE A 652 -6.679 -2.973 -7.085 1.00 0.00 C ATOM 350 C ILE A 652 -7.458 -2.010 -7.988 1.00 0.00 C ATOM 351 O ILE A 652 -7.979 -2.424 -9.024 1.00 0.00 O ATOM 352 CB ILE A 652 -7.657 -3.643 -6.091 1.00 0.00 C ATOM 353 CG1 ILE A 652 -8.749 -4.402 -6.848 1.00 0.00 C ATOM 354 CG2 ILE A 652 -8.278 -2.618 -5.155 1.00 0.00 C ATOM 355 CD1 ILE A 652 -8.225 -5.562 -7.667 1.00 0.00 C ATOM 0 H ILE A 652 -5.638 -2.279 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 652 -6.228 -3.748 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 652 -7.090 -4.351 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -9.483 -4.775 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -9.271 -3.709 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -8.961 -3.119 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -7.492 -2.121 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -8.827 -1.879 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -9.055 -6.053 -8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -7.513 -5.194 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -7.729 -6.276 -7.010 1.00 0.00 H new ATOM 367 N PRO A 653 -7.564 -0.714 -7.625 1.00 0.00 N ATOM 368 CA PRO A 653 -8.289 0.264 -8.420 1.00 0.00 C ATOM 369 C PRO A 653 -7.379 1.019 -9.388 1.00 0.00 C ATOM 370 O PRO A 653 -7.400 0.774 -10.594 1.00 0.00 O ATOM 371 CB PRO A 653 -8.854 1.208 -7.353 1.00 0.00 C ATOM 372 CG PRO A 653 -7.988 1.030 -6.135 1.00 0.00 C ATOM 373 CD PRO A 653 -7.006 -0.081 -6.427 1.00 0.00 C ATOM 0 HA PRO A 653 -9.047 -0.193 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 653 -8.834 2.242 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 653 -9.893 0.967 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 653 -7.461 1.955 -5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 653 -8.597 0.783 -5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 653 -6.002 0.305 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 653 -6.934 -0.783 -5.597 1.00 0.00 H new ATOM 381 N ALA A 654 -6.583 1.936 -8.849 1.00 0.00 N ATOM 382 CA ALA A 654 -5.663 2.731 -9.652 1.00 0.00 C ATOM 383 C ALA A 654 -4.913 3.711 -8.776 1.00 0.00 C ATOM 384 O ALA A 654 -5.135 4.921 -8.830 1.00 0.00 O ATOM 385 CB ALA A 654 -6.403 3.464 -10.754 1.00 0.00 C ATOM 0 H ALA A 654 -6.557 2.148 -7.852 1.00 0.00 H new ATOM 0 HA ALA A 654 -4.944 2.056 -10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 654 -5.695 4.051 -11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 654 -6.899 2.742 -11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 654 -7.147 4.128 -10.314 1.00 0.00 H new ATOM 391 N GLY A 655 -4.026 3.171 -7.964 1.00 0.00 N ATOM 392 CA GLY A 655 -3.243 3.989 -7.071 1.00 0.00 C ATOM 393 C GLY A 655 -3.732 3.919 -5.640 1.00 0.00 C ATOM 394 O GLY A 655 -3.839 4.941 -4.965 1.00 0.00 O ATOM 0 H GLY A 655 -3.833 2.171 -7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 655 -2.201 3.670 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 655 -3.273 5.024 -7.411 1.00 0.00 H new ATOM 398 N ILE A 656 -4.016 2.710 -5.168 1.00 0.00 N ATOM 399 CA ILE A 656 -4.478 2.525 -3.800 1.00 0.00 C ATOM 400 C ILE A 656 -3.320 2.729 -2.822 1.00 0.00 C ATOM 401 O ILE A 656 -3.525 2.972 -1.634 1.00 0.00 O ATOM 402 CB ILE A 656 -5.099 1.125 -3.595 1.00 0.00 C ATOM 403 CG1 ILE A 656 -6.189 1.177 -2.525 1.00 0.00 C ATOM 404 CG2 ILE A 656 -4.031 0.111 -3.216 1.00 0.00 C ATOM 405 CD1 ILE A 656 -7.527 0.656 -2.999 1.00 0.00 C ATOM 0 H ILE A 656 -3.935 1.849 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 656 -5.252 3.268 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 656 -5.550 0.810 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 656 -5.867 0.595 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 656 -6.308 2.207 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 656 -4.491 -0.867 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 656 -3.287 0.052 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 656 -3.548 0.420 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 656 -8.252 0.723 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 656 -7.871 1.253 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -7.424 -0.384 -3.308 1.00 0.00 H new ATOM 417 N GLY A 657 -2.102 2.643 -3.345 1.00 0.00 N ATOM 418 CA GLY A 657 -0.923 2.842 -2.530 1.00 0.00 C ATOM 419 C GLY A 657 -0.287 4.180 -2.825 1.00 0.00 C ATOM 420 O GLY A 657 0.261 4.834 -1.937 1.00 0.00 O ATOM 0 H GLY A 657 -1.912 2.437 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 657 -1.191 2.786 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 657 -0.206 2.044 -2.719 1.00 0.00 H new ATOM 424 N VAL A 658 -0.380 4.590 -4.085 1.00 0.00 N ATOM 425 CA VAL A 658 0.164 5.863 -4.528 1.00 0.00 C ATOM 426 C VAL A 658 -0.805 6.999 -4.214 1.00 0.00 C ATOM 427 O VAL A 658 -0.394 8.133 -3.967 1.00 0.00 O ATOM 428 CB VAL A 658 0.469 5.839 -6.042 1.00 0.00 C ATOM 429 CG1 VAL A 658 -0.810 5.695 -6.860 1.00 0.00 C ATOM 430 CG2 VAL A 658 1.238 7.086 -6.454 1.00 0.00 C ATOM 0 H VAL A 658 -0.833 4.051 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 658 1.096 6.032 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 658 1.093 4.969 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 658 -0.563 5.681 -7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 658 -1.311 4.765 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 658 -1.471 6.536 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 658 1.443 7.050 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 658 0.644 7.971 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 658 2.179 7.131 -5.905 1.00 0.00 H new ATOM 440 N THR A 659 -2.096 6.679 -4.222 1.00 0.00 N ATOM 441 CA THR A 659 -3.136 7.659 -3.934 1.00 0.00 C ATOM 442 C THR A 659 -4.035 7.182 -2.794 1.00 0.00 C ATOM 443 O THR A 659 -4.676 7.987 -2.123 1.00 0.00 O ATOM 444 CB THR A 659 -3.977 7.931 -5.183 1.00 0.00 C ATOM 445 OG1 THR A 659 -3.175 8.468 -6.220 1.00 0.00 O ATOM 446 CG2 THR A 659 -5.120 8.895 -4.939 1.00 0.00 C ATOM 0 H THR A 659 -2.447 5.743 -4.426 1.00 0.00 H new ATOM 0 HA THR A 659 -2.649 8.584 -3.627 1.00 0.00 H new ATOM 0 HB THR A 659 -4.394 6.964 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 659 -3.730 8.634 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 659 -5.675 9.043 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 659 -5.785 8.486 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 659 -4.723 9.851 -4.597 1.00 0.00 H new ATOM 454 N GLY A 660 -4.083 5.871 -2.580 1.00 0.00 N ATOM 455 CA GLY A 660 -4.907 5.327 -1.519 1.00 0.00 C ATOM 456 C GLY A 660 -4.219 5.395 -0.168 1.00 0.00 C ATOM 457 O GLY A 660 -4.827 5.784 0.830 1.00 0.00 O ATOM 0 H GLY A 660 -3.567 5.178 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 660 -5.848 5.876 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 660 -5.153 4.290 -1.748 1.00 0.00 H new ATOM 461 N VAL A 661 -2.944 5.022 -0.143 1.00 0.00 N ATOM 462 CA VAL A 661 -2.155 5.046 1.084 1.00 0.00 C ATOM 463 C VAL A 661 -1.616 6.445 1.346 1.00 0.00 C ATOM 464 O VAL A 661 -1.930 7.069 2.357 1.00 0.00 O ATOM 465 CB VAL A 661 -0.986 4.040 1.024 1.00 0.00 C ATOM 466 CG1 VAL A 661 -0.084 4.176 2.244 1.00 0.00 C ATOM 467 CG2 VAL A 661 -1.517 2.619 0.909 1.00 0.00 C ATOM 0 H VAL A 661 -2.432 4.698 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 661 -2.815 4.756 1.902 1.00 0.00 H new ATOM 0 HB VAL A 661 -0.390 4.264 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 661 0.731 3.456 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 661 0.326 5.185 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 661 -0.663 3.985 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 661 -0.681 1.921 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 661 -2.138 2.391 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 661 -2.113 2.526 0.001 1.00 0.00 H new ATOM 477 N VAL A 662 -0.798 6.924 0.414 1.00 0.00 N ATOM 478 CA VAL A 662 -0.196 8.247 0.508 1.00 0.00 C ATOM 479 C VAL A 662 -1.206 9.287 0.977 1.00 0.00 C ATOM 480 O VAL A 662 -0.856 10.241 1.669 1.00 0.00 O ATOM 481 CB VAL A 662 0.382 8.675 -0.856 1.00 0.00 C ATOM 482 CG1 VAL A 662 0.712 10.163 -0.871 1.00 0.00 C ATOM 483 CG2 VAL A 662 1.613 7.848 -1.193 1.00 0.00 C ATOM 0 H VAL A 662 -0.535 6.407 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 662 0.607 8.188 1.242 1.00 0.00 H new ATOM 0 HB VAL A 662 -0.377 8.494 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 662 1.118 10.436 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 662 -0.194 10.739 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 662 1.449 10.380 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 662 2.009 8.162 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 662 2.372 7.995 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 662 1.342 6.793 -1.238 1.00 0.00 H new ATOM 493 N ILE A 663 -2.454 9.098 0.589 1.00 0.00 N ATOM 494 CA ILE A 663 -3.512 10.019 0.960 1.00 0.00 C ATOM 495 C ILE A 663 -3.954 9.798 2.403 1.00 0.00 C ATOM 496 O ILE A 663 -4.281 10.746 3.114 1.00 0.00 O ATOM 497 CB ILE A 663 -4.707 9.878 -0.002 1.00 0.00 C ATOM 498 CG1 ILE A 663 -5.426 11.219 -0.159 1.00 0.00 C ATOM 499 CG2 ILE A 663 -5.676 8.797 0.462 1.00 0.00 C ATOM 500 CD1 ILE A 663 -6.324 11.286 -1.375 1.00 0.00 C ATOM 0 H ILE A 663 -2.760 8.312 0.015 1.00 0.00 H new ATOM 0 HA ILE A 663 -3.120 11.033 0.883 1.00 0.00 H new ATOM 0 HB ILE A 663 -4.319 9.573 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 663 -6.022 11.409 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 663 -4.684 12.015 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 663 -6.506 8.726 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 663 -5.157 7.839 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 663 -6.059 9.051 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 663 -6.801 12.265 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 663 -5.730 11.128 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 663 -7.089 10.513 -1.305 1.00 0.00 H new ATOM 512 N ALA A 664 -3.946 8.540 2.829 1.00 0.00 N ATOM 513 CA ALA A 664 -4.331 8.190 4.189 1.00 0.00 C ATOM 514 C ALA A 664 -3.170 8.410 5.156 1.00 0.00 C ATOM 515 O ALA A 664 -3.378 8.630 6.349 1.00 0.00 O ATOM 516 CB ALA A 664 -4.806 6.745 4.248 1.00 0.00 C ATOM 0 H ALA A 664 -3.676 7.745 2.250 1.00 0.00 H new ATOM 0 HA ALA A 664 -5.152 8.841 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 664 -5.091 6.497 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 664 -5.666 6.618 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 664 -4.002 6.084 3.925 1.00 0.00 H new ATOM 522 N VAL A 665 -1.947 8.355 4.632 1.00 0.00 N ATOM 523 CA VAL A 665 -0.756 8.556 5.450 1.00 0.00 C ATOM 524 C VAL A 665 -0.458 10.042 5.591 1.00 0.00 C ATOM 525 O VAL A 665 -0.121 10.527 6.671 1.00 0.00 O ATOM 526 CB VAL A 665 0.474 7.831 4.853 1.00 0.00 C ATOM 527 CG1 VAL A 665 0.100 6.431 4.390 1.00 0.00 C ATOM 528 CG2 VAL A 665 1.079 8.628 3.705 1.00 0.00 C ATOM 0 H VAL A 665 -1.757 8.173 3.647 1.00 0.00 H new ATOM 0 HA VAL A 665 -0.956 8.130 6.433 1.00 0.00 H new ATOM 0 HB VAL A 665 1.225 7.747 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.979 5.939 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.272 5.855 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.676 6.495 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 665 1.941 8.094 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 665 0.335 8.755 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 665 1.394 9.606 4.068 1.00 0.00 H new ATOM 538 N ILE A 666 -0.597 10.755 4.481 1.00 0.00 N ATOM 539 CA ILE A 666 -0.361 12.185 4.444 1.00 0.00 C ATOM 540 C ILE A 666 -1.459 12.923 5.189 1.00 0.00 C ATOM 541 O ILE A 666 -1.206 13.922 5.855 1.00 0.00 O ATOM 542 CB ILE A 666 -0.314 12.684 2.989 1.00 0.00 C ATOM 543 CG1 ILE A 666 0.976 12.219 2.309 1.00 0.00 C ATOM 544 CG2 ILE A 666 -0.431 14.200 2.927 1.00 0.00 C ATOM 545 CD1 ILE A 666 1.095 12.666 0.868 1.00 0.00 C ATOM 0 H ILE A 666 -0.876 10.356 3.585 1.00 0.00 H new ATOM 0 HA ILE A 666 0.597 12.382 4.925 1.00 0.00 H new ATOM 0 HB ILE A 666 -1.164 12.258 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 666 1.830 12.598 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 666 1.026 11.131 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -0.395 14.525 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -1.376 14.510 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 666 0.394 14.651 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 666 2.033 12.301 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 666 0.261 12.265 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 666 1.077 13.755 0.822 1.00 0.00 H new ATOM 557 N ALA A 667 -2.683 12.422 5.065 1.00 0.00 N ATOM 558 CA ALA A 667 -3.834 13.027 5.722 1.00 0.00 C ATOM 559 C ALA A 667 -3.479 13.498 7.129 1.00 0.00 C ATOM 560 O ALA A 667 -3.979 14.519 7.597 1.00 0.00 O ATOM 561 CB ALA A 667 -4.982 12.035 5.758 1.00 0.00 C ATOM 0 H ALA A 667 -2.904 11.594 4.512 1.00 0.00 H new ATOM 0 HA ALA A 667 -4.141 13.903 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 667 -5.841 12.491 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 667 -5.253 11.755 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 667 -4.677 11.146 6.310 1.00 0.00 H new ATOM 567 N LEU A 668 -2.599 12.752 7.790 1.00 0.00 N ATOM 568 CA LEU A 668 -2.161 13.093 9.128 1.00 0.00 C ATOM 569 C LEU A 668 -1.012 14.094 9.085 1.00 0.00 C ATOM 570 O LEU A 668 -1.138 15.221 9.563 1.00 0.00 O ATOM 571 CB LEU A 668 -1.716 11.832 9.862 1.00 0.00 C ATOM 572 CG LEU A 668 -1.147 12.068 11.259 1.00 0.00 C ATOM 573 CD1 LEU A 668 -1.906 13.185 11.959 1.00 0.00 C ATOM 574 CD2 LEU A 668 -1.203 10.783 12.067 1.00 0.00 C ATOM 0 H LEU A 668 -2.176 11.904 7.413 1.00 0.00 H new ATOM 0 HA LEU A 668 -2.997 13.549 9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -2.567 11.156 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -0.962 11.325 9.259 1.00 0.00 H new ATOM 0 HG LEU A 668 -0.104 12.373 11.170 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.488 13.341 12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -1.817 14.104 11.380 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.958 12.911 12.046 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -0.795 10.961 13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -2.238 10.452 12.153 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -0.616 10.013 11.567 1.00 0.00 H new ATOM 586 N PHE A 669 0.109 13.673 8.505 1.00 0.00 N ATOM 587 CA PHE A 669 1.285 14.531 8.393 1.00 0.00 C ATOM 588 C PHE A 669 0.915 15.869 7.766 1.00 0.00 C ATOM 589 O PHE A 669 1.564 16.885 8.011 1.00 0.00 O ATOM 590 CB PHE A 669 2.366 13.839 7.559 1.00 0.00 C ATOM 591 CG PHE A 669 3.712 13.813 8.225 1.00 0.00 C ATOM 592 CD1 PHE A 669 4.839 14.267 7.558 1.00 0.00 C ATOM 593 CD2 PHE A 669 3.850 13.335 9.518 1.00 0.00 C ATOM 594 CE1 PHE A 669 6.079 14.244 8.169 1.00 0.00 C ATOM 595 CE2 PHE A 669 5.087 13.310 10.134 1.00 0.00 C ATOM 596 CZ PHE A 669 6.203 13.765 9.458 1.00 0.00 C ATOM 0 H PHE A 669 0.228 12.742 8.105 1.00 0.00 H new ATOM 0 HA PHE A 669 1.674 14.715 9.394 1.00 0.00 H new ATOM 0 HB2 PHE A 669 2.053 12.816 7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 669 2.454 14.348 6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 669 4.747 14.643 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 669 2.981 12.978 10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 669 6.950 14.600 7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 669 5.181 12.935 11.143 1.00 0.00 H new ATOM 0 HZ PHE A 669 7.171 13.746 9.937 1.00 0.00 H new ATOM 606 N ALA A 670 -0.140 15.858 6.962 1.00 0.00 N ATOM 607 CA ALA A 670 -0.613 17.059 6.299 1.00 0.00 C ATOM 608 C ALA A 670 -1.217 18.037 7.305 1.00 0.00 C ATOM 609 O ALA A 670 -1.251 19.242 7.061 1.00 0.00 O ATOM 610 CB ALA A 670 -1.627 16.698 5.222 1.00 0.00 C ATOM 0 H ALA A 670 -0.686 15.022 6.754 1.00 0.00 H new ATOM 0 HA ALA A 670 0.238 17.550 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -1.975 17.607 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -1.159 16.044 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -2.474 16.184 5.677 1.00 0.00 H new ATOM 616 N ILE A 671 -1.687 17.516 8.440 1.00 0.00 N ATOM 617 CA ILE A 671 -2.277 18.358 9.471 1.00 0.00 C ATOM 618 C ILE A 671 -1.209 18.906 10.398 1.00 0.00 C ATOM 619 O ILE A 671 -1.290 20.043 10.859 1.00 0.00 O ATOM 620 CB ILE A 671 -3.314 17.590 10.306 1.00 0.00 C ATOM 621 CG1 ILE A 671 -4.307 16.867 9.396 1.00 0.00 C ATOM 622 CG2 ILE A 671 -4.040 18.538 11.244 1.00 0.00 C ATOM 623 CD1 ILE A 671 -5.001 15.700 10.065 1.00 0.00 C ATOM 0 H ILE A 671 -1.669 16.521 8.664 1.00 0.00 H new ATOM 0 HA ILE A 671 -2.776 19.181 8.959 1.00 0.00 H new ATOM 0 HB ILE A 671 -2.794 16.842 10.904 1.00 0.00 H new ATOM 0 HG12 ILE A 671 -5.058 17.579 9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 671 -3.782 16.508 8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 671 -4.772 17.981 11.829 1.00 0.00 H new ATOM 0 HG22 ILE A 671 -3.321 19.008 11.914 1.00 0.00 H new ATOM 0 HG23 ILE A 671 -4.550 19.306 10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 671 -5.691 15.235 9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 671 -4.258 14.968 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 671 -5.555 16.056 10.934 1.00 0.00 H new ATOM 635 N ALA A 672 -0.206 18.089 10.656 1.00 0.00 N ATOM 636 CA ALA A 672 0.895 18.478 11.516 1.00 0.00 C ATOM 637 C ALA A 672 1.604 19.700 10.955 1.00 0.00 C ATOM 638 O ALA A 672 2.121 20.535 11.694 1.00 0.00 O ATOM 639 CB ALA A 672 1.857 17.324 11.638 1.00 0.00 C ATOM 0 H ALA A 672 -0.131 17.144 10.279 1.00 0.00 H new ATOM 0 HA ALA A 672 0.508 18.735 12.502 1.00 0.00 H new ATOM 0 HB1 ALA A 672 2.688 17.609 12.283 1.00 0.00 H new ATOM 0 HB2 ALA A 672 1.342 16.465 12.068 1.00 0.00 H new ATOM 0 HB3 ALA A 672 2.238 17.062 10.651 1.00 0.00 H new ATOM 645 N LYS A 673 1.619 19.792 9.637 1.00 0.00 N ATOM 646 CA LYS A 673 2.253 20.911 8.959 1.00 0.00 C ATOM 647 C LYS A 673 1.257 22.048 8.745 1.00 0.00 C ATOM 648 O LYS A 673 1.648 23.188 8.494 1.00 0.00 O ATOM 649 CB LYS A 673 2.856 20.474 7.619 1.00 0.00 C ATOM 650 CG LYS A 673 2.072 19.378 6.911 1.00 0.00 C ATOM 651 CD LYS A 673 1.833 19.721 5.451 1.00 0.00 C ATOM 652 CE LYS A 673 2.919 19.144 4.557 1.00 0.00 C ATOM 653 NZ LYS A 673 3.302 20.088 3.470 1.00 0.00 N ATOM 0 H LYS A 673 1.198 19.104 9.013 1.00 0.00 H new ATOM 0 HA LYS A 673 3.061 21.271 9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 673 2.921 21.341 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 673 3.875 20.125 7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 673 2.617 18.436 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 673 1.116 19.231 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 673 0.862 19.336 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 673 1.799 20.804 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 673 3.797 18.907 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 673 2.570 18.208 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 673 4.045 19.658 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 673 2.470 20.295 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 673 3.659 20.971 3.887 1.00 0.00 H new ATOM 667 N PHE A 674 -0.032 21.731 8.845 1.00 0.00 N ATOM 668 CA PHE A 674 -1.080 22.728 8.662 1.00 0.00 C ATOM 669 C PHE A 674 -1.454 23.380 9.988 1.00 0.00 C ATOM 670 O PHE A 674 -1.787 24.564 10.035 1.00 0.00 O ATOM 671 CB PHE A 674 -2.317 22.082 8.044 1.00 0.00 C ATOM 672 CG PHE A 674 -3.128 23.021 7.198 1.00 0.00 C ATOM 673 CD1 PHE A 674 -3.751 24.122 7.763 1.00 0.00 C ATOM 674 CD2 PHE A 674 -3.267 22.803 5.837 1.00 0.00 C ATOM 675 CE1 PHE A 674 -4.497 24.987 6.987 1.00 0.00 C ATOM 676 CE2 PHE A 674 -4.012 23.665 5.055 1.00 0.00 C ATOM 677 CZ PHE A 674 -4.628 24.759 5.631 1.00 0.00 C ATOM 0 H PHE A 674 -0.374 20.792 9.052 1.00 0.00 H new ATOM 0 HA PHE A 674 -0.698 23.498 7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -2.007 21.233 7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -2.947 21.688 8.841 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -3.652 24.306 8.823 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -2.787 21.949 5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -4.978 25.841 7.440 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -4.112 23.484 3.995 1.00 0.00 H new ATOM 0 HZ PHE A 674 -5.211 25.435 5.022 1.00 0.00 H new ATOM 687 N VAL A 675 -1.401 22.601 11.063 1.00 0.00 N ATOM 688 CA VAL A 675 -1.740 23.109 12.387 1.00 0.00 C ATOM 689 C VAL A 675 -0.492 23.548 13.150 1.00 0.00 C ATOM 690 O VAL A 675 -0.588 24.238 14.165 1.00 0.00 O ATOM 691 CB VAL A 675 -2.499 22.055 13.216 1.00 0.00 C ATOM 692 CG1 VAL A 675 -2.915 22.626 14.564 1.00 0.00 C ATOM 693 CG2 VAL A 675 -3.711 21.546 12.450 1.00 0.00 C ATOM 0 H VAL A 675 -1.127 21.619 11.044 1.00 0.00 H new ATOM 0 HA VAL A 675 -2.387 23.974 12.237 1.00 0.00 H new ATOM 0 HB VAL A 675 -1.829 21.214 13.397 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -3.449 21.865 15.132 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -2.028 22.936 15.117 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -3.566 23.487 14.409 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -4.235 20.802 13.051 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -4.382 22.378 12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -3.386 21.092 11.514 1.00 0.00 H new ATOM 703 N PHE A 676 0.677 23.151 12.656 1.00 0.00 N ATOM 704 CA PHE A 676 1.937 23.516 13.297 1.00 0.00 C ATOM 705 C PHE A 676 2.927 24.065 12.275 1.00 0.00 C ATOM 706 O PHE A 676 3.360 23.289 11.398 1.00 0.00 O ATOM 707 CB PHE A 676 2.550 22.311 14.017 1.00 0.00 C ATOM 708 CG PHE A 676 1.552 21.475 14.771 1.00 0.00 C ATOM 709 CD1 PHE A 676 0.602 20.723 14.097 1.00 0.00 C ATOM 710 CD2 PHE A 676 1.571 21.437 16.157 1.00 0.00 C ATOM 711 CE1 PHE A 676 -0.309 19.950 14.791 1.00 0.00 C ATOM 712 CE2 PHE A 676 0.661 20.667 16.855 1.00 0.00 C ATOM 713 CZ PHE A 676 -0.281 19.922 16.172 1.00 0.00 C ATOM 714 OXT PHE A 676 3.261 25.265 12.360 1.00 0.00 O ATOM 0 H PHE A 676 0.779 22.579 11.818 1.00 0.00 H new ATOM 0 HA PHE A 676 1.723 24.293 14.031 1.00 0.00 H new ATOM 0 HB2 PHE A 676 3.056 21.682 13.284 1.00 0.00 H new ATOM 0 HB3 PHE A 676 3.311 22.665 14.712 1.00 0.00 H new ATOM 0 HD1 PHE A 676 0.574 20.742 13.018 1.00 0.00 H new ATOM 0 HD2 PHE A 676 2.306 22.016 16.697 1.00 0.00 H new ATOM 0 HE1 PHE A 676 -1.043 19.368 14.254 1.00 0.00 H new ATOM 0 HE2 PHE A 676 0.686 20.647 17.935 1.00 0.00 H new ATOM 0 HZ PHE A 676 -0.993 19.320 16.716 1.00 0.00 H new TER 724 PHE A 676