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 Single : A 631 SER OG : rot 132:sc= -3.11 USER MOD Single : A 633 LYS NZ :NH3+ -113:sc= -0.468 (180deg=-1.83!) USER MOD Single : A 634 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 638 GLN : amide:sc= -0.446 K(o=-0.45,f=-5.9!) USER MOD Single : A 641 ASN :FLIP amide:sc= -0.943 F(o=-1.7,f=-0.94) USER MOD Single : A 643 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.6) USER MOD Single : A 646 THR OG1 : rot -46:sc= 0.465 USER MOD Single : A 650 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.5!) 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 9.691 -19.902 3.375 1.00 0.00 N ATOM 2 CA GLY A 630 9.816 -18.638 4.153 1.00 0.00 C ATOM 3 C GLY A 630 10.190 -17.454 3.282 1.00 0.00 C ATOM 4 O GLY A 630 9.318 -16.769 2.746 1.00 0.00 O ATOM 0 HA2 GLY A 630 8.872 -18.430 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 630 10.570 -18.766 4.929 1.00 0.00 H new ATOM 10 N SER A 631 11.489 -17.214 3.143 1.00 0.00 N ATOM 11 CA SER A 631 11.983 -16.105 2.335 1.00 0.00 C ATOM 12 C SER A 631 11.498 -14.767 2.890 1.00 0.00 C ATOM 13 O SER A 631 12.217 -14.103 3.637 1.00 0.00 O ATOM 14 CB SER A 631 11.549 -16.271 0.878 1.00 0.00 C ATOM 15 OG SER A 631 11.980 -15.174 0.092 1.00 0.00 O ATOM 0 H SER A 631 12.221 -17.774 3.581 1.00 0.00 H new ATOM 0 HA SER A 631 13.072 -16.113 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 631 11.961 -17.196 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 631 10.464 -16.356 0.826 1.00 0.00 H new ATOM 0 HG SER A 631 12.407 -15.505 -0.725 1.00 0.00 H new ATOM 21 N ASP A 632 10.275 -14.373 2.533 1.00 0.00 N ATOM 22 CA ASP A 632 9.717 -13.115 3.018 1.00 0.00 C ATOM 23 C ASP A 632 8.400 -13.343 3.760 1.00 0.00 C ATOM 24 O ASP A 632 8.395 -13.721 4.931 1.00 0.00 O ATOM 25 CB ASP A 632 9.530 -12.122 1.871 1.00 0.00 C ATOM 26 CG ASP A 632 9.004 -10.781 2.347 1.00 0.00 C ATOM 27 OD1 ASP A 632 9.700 -10.120 3.145 1.00 0.00 O ATOM 28 OD2 ASP A 632 7.896 -10.393 1.920 1.00 0.00 O ATOM 0 H ASP A 632 9.659 -14.902 1.916 1.00 0.00 H new ATOM 0 HA ASP A 632 10.428 -12.687 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 632 10.483 -11.976 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 632 8.839 -12.542 1.140 1.00 0.00 H new ATOM 33 N LYS A 633 7.289 -13.106 3.074 1.00 0.00 N ATOM 34 CA LYS A 633 5.965 -13.277 3.662 1.00 0.00 C ATOM 35 C LYS A 633 5.777 -14.692 4.200 1.00 0.00 C ATOM 36 O LYS A 633 5.277 -14.881 5.309 1.00 0.00 O ATOM 37 CB LYS A 633 4.883 -12.965 2.627 1.00 0.00 C ATOM 38 CG LYS A 633 5.121 -13.625 1.276 1.00 0.00 C ATOM 39 CD LYS A 633 4.969 -12.635 0.131 1.00 0.00 C ATOM 40 CE LYS A 633 3.987 -13.137 -0.916 1.00 0.00 C ATOM 41 NZ LYS A 633 2.733 -13.651 -0.301 1.00 0.00 N ATOM 0 H LYS A 633 7.278 -12.793 2.103 1.00 0.00 H new ATOM 0 HA LYS A 633 5.877 -12.581 4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 633 3.917 -13.289 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.825 -11.885 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 633 6.122 -14.057 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 633 4.416 -14.446 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.627 -11.676 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 633 5.940 -12.463 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 633 3.748 -12.328 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 633 4.454 -13.928 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.668 -14.678 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.739 -13.451 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 1.914 -13.184 -0.740 1.00 0.00 H new ATOM 55 N THR A 634 6.180 -15.684 3.412 1.00 0.00 N ATOM 56 CA THR A 634 6.049 -17.081 3.828 1.00 0.00 C ATOM 57 C THR A 634 6.820 -18.027 2.923 1.00 0.00 C ATOM 58 O THR A 634 7.209 -19.121 3.330 1.00 0.00 O ATOM 59 CB THR A 634 4.575 -17.490 3.889 1.00 0.00 C ATOM 60 OG1 THR A 634 3.756 -16.532 3.237 1.00 0.00 O ATOM 61 CG2 THR A 634 4.058 -17.654 5.303 1.00 0.00 C ATOM 0 H THR A 634 6.596 -15.552 2.490 1.00 0.00 H new ATOM 0 HA THR A 634 6.483 -17.158 4.825 1.00 0.00 H new ATOM 0 HB THR A 634 4.524 -18.456 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 634 2.819 -16.815 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 634 3.008 -17.944 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 634 4.634 -18.425 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 634 4.159 -16.710 5.839 1.00 0.00 H new ATOM 69 N LEU A 635 7.040 -17.588 1.709 1.00 0.00 N ATOM 70 CA LEU A 635 7.776 -18.367 0.718 1.00 0.00 C ATOM 71 C LEU A 635 7.823 -17.654 -0.627 1.00 0.00 C ATOM 72 O LEU A 635 8.903 -17.356 -1.138 1.00 0.00 O ATOM 73 CB LEU A 635 7.178 -19.769 0.557 1.00 0.00 C ATOM 74 CG LEU A 635 7.813 -20.625 -0.546 1.00 0.00 C ATOM 75 CD1 LEU A 635 7.234 -20.265 -1.906 1.00 0.00 C ATOM 76 CD2 LEU A 635 9.328 -20.460 -0.551 1.00 0.00 C ATOM 0 H LEU A 635 6.718 -16.682 1.370 1.00 0.00 H new ATOM 0 HA LEU A 635 8.798 -18.470 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 635 7.272 -20.298 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 635 6.112 -19.671 0.351 1.00 0.00 H new ATOM 0 HG LEU A 635 7.582 -21.670 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 635 7.698 -20.884 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 635 6.158 -20.439 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 635 7.431 -19.214 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 635 9.758 -21.076 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 635 9.580 -19.414 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 635 9.731 -20.772 0.413 1.00 0.00 H new ATOM 88 N PRO A 636 6.659 -17.355 -1.220 1.00 0.00 N ATOM 89 CA PRO A 636 6.606 -16.662 -2.503 1.00 0.00 C ATOM 90 C PRO A 636 7.350 -15.336 -2.434 1.00 0.00 C ATOM 91 O PRO A 636 7.769 -14.790 -3.454 1.00 0.00 O ATOM 92 CB PRO A 636 5.109 -16.441 -2.760 1.00 0.00 C ATOM 93 CG PRO A 636 4.419 -16.744 -1.470 1.00 0.00 C ATOM 94 CD PRO A 636 5.327 -17.650 -0.685 1.00 0.00 C ATOM 0 HA PRO A 636 7.081 -17.232 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 636 4.915 -15.416 -3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 636 4.750 -17.092 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 636 4.217 -15.827 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 636 3.458 -17.225 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 636 5.270 -17.445 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 636 5.063 -18.699 -0.823 1.00 0.00 H new ATOM 102 N ASP A 637 7.526 -14.845 -1.204 1.00 0.00 N ATOM 103 CA ASP A 637 8.235 -13.597 -0.939 1.00 0.00 C ATOM 104 C ASP A 637 8.080 -12.589 -2.073 1.00 0.00 C ATOM 105 O ASP A 637 9.023 -11.888 -2.438 1.00 0.00 O ATOM 106 CB ASP A 637 9.708 -13.893 -0.675 1.00 0.00 C ATOM 107 CG ASP A 637 10.498 -14.147 -1.946 1.00 0.00 C ATOM 108 OD1 ASP A 637 10.282 -15.203 -2.578 1.00 0.00 O ATOM 109 OD2 ASP A 637 11.332 -13.291 -2.308 1.00 0.00 O ATOM 0 H ASP A 637 7.178 -15.306 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 637 7.790 -13.141 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 637 10.151 -13.054 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 637 9.787 -14.764 -0.024 1.00 0.00 H new ATOM 114 N GLN A 638 6.877 -12.530 -2.616 1.00 0.00 N ATOM 115 CA GLN A 638 6.564 -11.616 -3.709 1.00 0.00 C ATOM 116 C GLN A 638 7.552 -11.775 -4.861 1.00 0.00 C ATOM 117 O GLN A 638 8.650 -11.219 -4.832 1.00 0.00 O ATOM 118 CB GLN A 638 6.575 -10.172 -3.206 1.00 0.00 C ATOM 119 CG GLN A 638 5.394 -9.832 -2.311 1.00 0.00 C ATOM 120 CD GLN A 638 5.814 -9.158 -1.019 1.00 0.00 C ATOM 121 OE1 GLN A 638 5.999 -9.815 0.005 1.00 0.00 O ATOM 122 NE2 GLN A 638 5.967 -7.840 -1.062 1.00 0.00 N ATOM 0 H GLN A 638 6.092 -13.108 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 638 5.568 -11.861 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 638 7.500 -9.994 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 638 6.578 -9.497 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 638 4.710 -9.178 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 638 4.845 -10.745 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 638 5.803 -7.336 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 638 6.249 -7.332 -0.224 1.00 0.00 H new ATOM 131 N GLY A 639 7.154 -12.538 -5.873 1.00 0.00 N ATOM 132 CA GLY A 639 8.014 -12.757 -7.021 1.00 0.00 C ATOM 133 C GLY A 639 7.304 -13.484 -8.146 1.00 0.00 C ATOM 134 O GLY A 639 7.478 -13.150 -9.318 1.00 0.00 O ATOM 0 H GLY A 639 6.250 -13.009 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 639 8.379 -11.797 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 639 8.886 -13.334 -6.713 1.00 0.00 H new ATOM 138 N ASP A 640 6.500 -14.481 -7.788 1.00 0.00 N ATOM 139 CA ASP A 640 5.760 -15.257 -8.776 1.00 0.00 C ATOM 140 C ASP A 640 4.468 -14.548 -9.168 1.00 0.00 C ATOM 141 O ASP A 640 4.036 -14.617 -10.319 1.00 0.00 O ATOM 142 CB ASP A 640 5.446 -16.651 -8.229 1.00 0.00 C ATOM 143 CG ASP A 640 4.870 -17.571 -9.287 1.00 0.00 C ATOM 144 OD1 ASP A 640 5.080 -17.300 -10.488 1.00 0.00 O ATOM 145 OD2 ASP A 640 4.209 -18.563 -8.915 1.00 0.00 O ATOM 0 H ASP A 640 6.345 -14.770 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 640 6.383 -15.355 -9.665 1.00 0.00 H new ATOM 0 HB2 ASP A 640 6.356 -17.093 -7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 640 4.739 -16.564 -7.404 1.00 0.00 H new ATOM 150 N ASN A 641 3.856 -13.866 -8.205 1.00 0.00 N ATOM 151 CA ASN A 641 2.613 -13.144 -8.452 1.00 0.00 C ATOM 152 C ASN A 641 2.281 -12.217 -7.285 1.00 0.00 C ATOM 153 O ASN A 641 1.150 -12.190 -6.800 1.00 0.00 O ATOM 154 CB ASN A 641 1.466 -14.130 -8.688 1.00 0.00 C ATOM 155 CG ASN A 641 1.190 -14.351 -10.162 1.00 0.00 C ATOM 156 OD1 ASN A 641 1.625 -15.493 -10.681 1.00 0.00 O flip ATOM 157 ND2 ASN A 641 0.591 -13.505 -10.826 1.00 0.00 N flip ATOM 0 H ASN A 641 4.200 -13.798 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 641 2.744 -12.534 -9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 641 1.708 -15.084 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 641 0.564 -13.757 -8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 641 0.275 -12.641 -10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 641 0.411 -13.668 -11.817 1.00 0.00 H new ATOM 164 N ASP A 642 3.278 -11.456 -6.841 1.00 0.00 N ATOM 165 CA ASP A 642 3.100 -10.522 -5.731 1.00 0.00 C ATOM 166 C ASP A 642 1.889 -9.619 -5.956 1.00 0.00 C ATOM 167 O ASP A 642 1.275 -9.139 -5.004 1.00 0.00 O ATOM 168 CB ASP A 642 4.357 -9.669 -5.558 1.00 0.00 C ATOM 169 CG ASP A 642 4.698 -8.882 -6.808 1.00 0.00 C ATOM 170 OD1 ASP A 642 5.437 -7.881 -6.697 1.00 0.00 O ATOM 171 OD2 ASP A 642 4.227 -9.267 -7.899 1.00 0.00 O ATOM 0 H ASP A 642 4.219 -11.467 -7.233 1.00 0.00 H new ATOM 0 HA ASP A 642 2.928 -11.104 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 642 4.213 -8.980 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 642 5.197 -10.313 -5.297 1.00 0.00 H new ATOM 176 N ASN A 643 1.554 -9.394 -7.222 1.00 0.00 N ATOM 177 CA ASN A 643 0.421 -8.547 -7.585 1.00 0.00 C ATOM 178 C ASN A 643 -0.861 -8.968 -6.865 1.00 0.00 C ATOM 179 O ASN A 643 -1.799 -8.180 -6.748 1.00 0.00 O ATOM 180 CB ASN A 643 0.201 -8.588 -9.097 1.00 0.00 C ATOM 181 CG ASN A 643 1.196 -7.727 -9.850 1.00 0.00 C ATOM 182 OD1 ASN A 643 2.398 -7.773 -9.587 1.00 0.00 O ATOM 183 ND2 ASN A 643 0.699 -6.935 -10.793 1.00 0.00 N ATOM 0 H ASN A 643 2.054 -9.789 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 643 0.659 -7.530 -7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 643 0.280 -9.618 -9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 643 -0.811 -8.252 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 643 1.320 -6.333 -11.333 1.00 0.00 H new ATOM 0 HD22 ASN A 643 -0.304 -6.929 -10.978 1.00 0.00 H new ATOM 190 N TRP A 644 -0.903 -10.211 -6.387 1.00 0.00 N ATOM 191 CA TRP A 644 -2.080 -10.722 -5.687 1.00 0.00 C ATOM 192 C TRP A 644 -2.558 -9.741 -4.617 1.00 0.00 C ATOM 193 O TRP A 644 -3.745 -9.689 -4.295 1.00 0.00 O ATOM 194 CB TRP A 644 -1.771 -12.082 -5.051 1.00 0.00 C ATOM 195 CG TRP A 644 -0.890 -11.993 -3.840 1.00 0.00 C ATOM 196 CD1 TRP A 644 0.451 -11.740 -3.819 1.00 0.00 C ATOM 197 CD2 TRP A 644 -1.289 -12.157 -2.473 1.00 0.00 C ATOM 198 NE1 TRP A 644 0.911 -11.737 -2.525 1.00 0.00 N ATOM 199 CE2 TRP A 644 -0.138 -11.991 -1.680 1.00 0.00 C ATOM 200 CE3 TRP A 644 -2.507 -12.429 -1.843 1.00 0.00 C ATOM 201 CZ2 TRP A 644 -0.170 -12.086 -0.291 1.00 0.00 C ATOM 202 CZ3 TRP A 644 -2.537 -12.523 -0.464 1.00 0.00 C ATOM 203 CH2 TRP A 644 -1.375 -12.352 0.298 1.00 0.00 C ATOM 0 H TRP A 644 -0.138 -10.881 -6.471 1.00 0.00 H new ATOM 0 HA TRP A 644 -2.879 -10.842 -6.419 1.00 0.00 H new ATOM 0 HB2 TRP A 644 -2.708 -12.565 -4.774 1.00 0.00 H new ATOM 0 HB3 TRP A 644 -1.291 -12.720 -5.793 1.00 0.00 H new ATOM 0 HD1 TRP A 644 1.062 -11.567 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 644 1.876 -11.573 -2.239 1.00 0.00 H new ATOM 0 HE3 TRP A 644 -3.408 -12.563 -2.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 644 0.725 -11.954 0.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 644 -3.472 -12.732 0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 644 -1.432 -12.432 1.374 1.00 0.00 H new ATOM 214 N TRP A 645 -1.627 -8.966 -4.070 1.00 0.00 N ATOM 215 CA TRP A 645 -1.957 -7.990 -3.038 1.00 0.00 C ATOM 216 C TRP A 645 -1.003 -6.797 -3.079 1.00 0.00 C ATOM 217 O TRP A 645 -0.835 -6.093 -2.084 1.00 0.00 O ATOM 218 CB TRP A 645 -1.917 -8.648 -1.656 1.00 0.00 C ATOM 219 CG TRP A 645 -3.247 -8.666 -0.966 1.00 0.00 C ATOM 220 CD1 TRP A 645 -4.351 -9.383 -1.330 1.00 0.00 C ATOM 221 CD2 TRP A 645 -3.613 -7.934 0.210 1.00 0.00 C ATOM 222 NE1 TRP A 645 -5.380 -9.142 -0.453 1.00 0.00 N ATOM 223 CE2 TRP A 645 -4.952 -8.256 0.501 1.00 0.00 C ATOM 224 CE3 TRP A 645 -2.938 -7.039 1.045 1.00 0.00 C ATOM 225 CZ2 TRP A 645 -5.628 -7.713 1.591 1.00 0.00 C ATOM 226 CZ3 TRP A 645 -3.610 -6.501 2.127 1.00 0.00 C ATOM 227 CH2 TRP A 645 -4.943 -6.840 2.392 1.00 0.00 C ATOM 0 H TRP A 645 -0.639 -8.995 -4.324 1.00 0.00 H new ATOM 0 HA TRP A 645 -2.965 -7.624 -3.231 1.00 0.00 H new ATOM 0 HB2 TRP A 645 -1.556 -9.671 -1.759 1.00 0.00 H new ATOM 0 HB3 TRP A 645 -1.199 -8.118 -1.030 1.00 0.00 H new ATOM 0 HD1 TRP A 645 -4.407 -10.043 -2.183 1.00 0.00 H new ATOM 0 HE1 TRP A 645 -6.311 -9.555 -0.503 1.00 0.00 H new ATOM 0 HE3 TRP A 645 -1.910 -6.773 0.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 645 -6.656 -7.972 1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 645 -3.099 -5.808 2.779 1.00 0.00 H new ATOM 0 HH2 TRP A 645 -5.440 -6.404 3.246 1.00 0.00 H new ATOM 238 N THR A 646 -0.383 -6.573 -4.235 1.00 0.00 N ATOM 239 CA THR A 646 0.548 -5.461 -4.397 1.00 0.00 C ATOM 240 C THR A 646 0.683 -5.066 -5.867 1.00 0.00 C ATOM 241 O THR A 646 1.702 -4.511 -6.278 1.00 0.00 O ATOM 242 CB THR A 646 1.920 -5.825 -3.821 1.00 0.00 C ATOM 243 OG1 THR A 646 2.741 -4.675 -3.720 1.00 0.00 O ATOM 244 CG2 THR A 646 2.670 -6.851 -4.645 1.00 0.00 C ATOM 0 H THR A 646 -0.508 -7.145 -5.070 1.00 0.00 H new ATOM 0 HA THR A 646 0.149 -4.607 -3.850 1.00 0.00 H new ATOM 0 HB THR A 646 1.713 -6.255 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 646 2.692 -4.164 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 646 3.632 -7.060 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 646 2.086 -7.770 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 646 2.832 -6.462 -5.650 1.00 0.00 H new ATOM 252 N GLY A 647 -0.349 -5.355 -6.652 1.00 0.00 N ATOM 253 CA GLY A 647 -0.324 -5.022 -8.064 1.00 0.00 C ATOM 254 C GLY A 647 -1.673 -4.546 -8.565 1.00 0.00 C ATOM 255 O GLY A 647 -2.140 -3.473 -8.184 1.00 0.00 O ATOM 0 H GLY A 647 -1.203 -5.814 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 647 0.421 -4.246 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 647 -0.014 -5.896 -8.636 1.00 0.00 H new ATOM 259 N TRP A 648 -2.302 -5.347 -9.418 1.00 0.00 N ATOM 260 CA TRP A 648 -3.608 -5.002 -9.965 1.00 0.00 C ATOM 261 C TRP A 648 -4.643 -4.851 -8.852 1.00 0.00 C ATOM 262 O TRP A 648 -5.666 -4.193 -9.031 1.00 0.00 O ATOM 263 CB TRP A 648 -4.066 -6.068 -10.963 1.00 0.00 C ATOM 264 CG TRP A 648 -4.162 -7.439 -10.366 1.00 0.00 C ATOM 265 CD1 TRP A 648 -3.182 -8.389 -10.332 1.00 0.00 C ATOM 266 CD2 TRP A 648 -5.302 -8.015 -9.719 1.00 0.00 C ATOM 267 NE1 TRP A 648 -3.643 -9.520 -9.703 1.00 0.00 N ATOM 268 CE2 TRP A 648 -4.942 -9.315 -9.317 1.00 0.00 C ATOM 269 CE3 TRP A 648 -6.593 -7.557 -9.438 1.00 0.00 C ATOM 270 CZ2 TRP A 648 -5.825 -10.161 -8.651 1.00 0.00 C ATOM 271 CZ3 TRP A 648 -7.469 -8.398 -8.778 1.00 0.00 C ATOM 272 CH2 TRP A 648 -7.082 -9.687 -8.390 1.00 0.00 C ATOM 0 H TRP A 648 -1.929 -6.238 -9.745 1.00 0.00 H new ATOM 0 HA TRP A 648 -3.516 -4.047 -10.482 1.00 0.00 H new ATOM 0 HB2 TRP A 648 -5.039 -5.785 -11.364 1.00 0.00 H new ATOM 0 HB3 TRP A 648 -3.370 -6.093 -11.802 1.00 0.00 H new ATOM 0 HD1 TRP A 648 -2.189 -8.269 -10.740 1.00 0.00 H new ATOM 0 HE1 TRP A 648 -3.106 -10.373 -9.548 1.00 0.00 H new ATOM 0 HE3 TRP A 648 -6.900 -6.564 -9.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 648 -5.529 -11.155 -8.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 648 -8.469 -8.055 -8.558 1.00 0.00 H new ATOM 0 HH2 TRP A 648 -7.790 -10.319 -7.875 1.00 0.00 H new ATOM 283 N ARG A 649 -4.361 -5.458 -7.702 1.00 0.00 N ATOM 284 CA ARG A 649 -5.251 -5.388 -6.554 1.00 0.00 C ATOM 285 C ARG A 649 -4.954 -4.144 -5.730 1.00 0.00 C ATOM 286 O ARG A 649 -5.779 -3.701 -4.931 1.00 0.00 O ATOM 287 CB ARG A 649 -5.093 -6.638 -5.687 1.00 0.00 C ATOM 288 CG ARG A 649 -6.286 -6.912 -4.788 1.00 0.00 C ATOM 289 CD ARG A 649 -6.116 -8.213 -4.020 1.00 0.00 C ATOM 290 NE ARG A 649 -7.223 -8.453 -3.099 1.00 0.00 N ATOM 291 CZ ARG A 649 -8.449 -8.798 -3.488 1.00 0.00 C ATOM 292 NH1 ARG A 649 -8.727 -8.948 -4.777 1.00 0.00 N ATOM 293 NH2 ARG A 649 -9.399 -8.996 -2.584 1.00 0.00 N ATOM 0 H ARG A 649 -3.516 -6.007 -7.543 1.00 0.00 H new ATOM 0 HA ARG A 649 -6.278 -5.334 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 649 -4.931 -7.500 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 649 -4.201 -6.531 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 649 -6.411 -6.087 -4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 649 -7.194 -6.959 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 649 -6.043 -9.042 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 649 -5.180 -8.185 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 649 -7.047 -8.350 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 649 -8.000 -8.799 -5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 649 -9.668 -9.212 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 649 -9.190 -8.884 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 649 -10.338 -9.260 -2.881 1.00 0.00 H new ATOM 307 N GLN A 650 -3.762 -3.589 -5.928 1.00 0.00 N ATOM 308 CA GLN A 650 -3.345 -2.405 -5.204 1.00 0.00 C ATOM 309 C GLN A 650 -4.133 -1.183 -5.662 1.00 0.00 C ATOM 310 O GLN A 650 -4.311 -0.227 -4.907 1.00 0.00 O ATOM 311 CB GLN A 650 -1.845 -2.165 -5.394 1.00 0.00 C ATOM 312 CG GLN A 650 -1.032 -2.348 -4.123 1.00 0.00 C ATOM 313 CD GLN A 650 -0.852 -1.053 -3.355 1.00 0.00 C ATOM 314 OE1 GLN A 650 -1.506 -0.825 -2.338 1.00 0.00 O ATOM 315 NE2 GLN A 650 0.039 -0.196 -3.840 1.00 0.00 N ATOM 0 H GLN A 650 -3.070 -3.946 -6.587 1.00 0.00 H new ATOM 0 HA GLN A 650 -3.546 -2.567 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 650 -1.470 -2.848 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 650 -1.693 -1.153 -5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 650 -1.525 -3.080 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 650 -0.053 -2.754 -4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 650 0.559 -0.426 -4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 650 0.203 0.692 -3.366 1.00 0.00 H new ATOM 324 N TRP A 651 -4.598 -1.220 -6.906 1.00 0.00 N ATOM 325 CA TRP A 651 -5.360 -0.114 -7.467 1.00 0.00 C ATOM 326 C TRP A 651 -6.303 -0.598 -8.564 1.00 0.00 C ATOM 327 O TRP A 651 -6.224 -0.146 -9.707 1.00 0.00 O ATOM 328 CB TRP A 651 -4.409 0.947 -8.022 1.00 0.00 C ATOM 329 CG TRP A 651 -3.382 0.389 -8.958 1.00 0.00 C ATOM 330 CD1 TRP A 651 -2.378 -0.483 -8.649 1.00 0.00 C ATOM 331 CD2 TRP A 651 -3.257 0.665 -10.358 1.00 0.00 C ATOM 332 NE1 TRP A 651 -1.637 -0.767 -9.770 1.00 0.00 N ATOM 333 CE2 TRP A 651 -2.156 -0.074 -10.832 1.00 0.00 C ATOM 334 CE3 TRP A 651 -3.969 1.464 -11.257 1.00 0.00 C ATOM 335 CZ2 TRP A 651 -1.752 -0.036 -12.164 1.00 0.00 C ATOM 336 CZ3 TRP A 651 -3.566 1.501 -12.579 1.00 0.00 C ATOM 337 CH2 TRP A 651 -2.467 0.754 -13.022 1.00 0.00 C ATOM 0 H TRP A 651 -4.460 -2.004 -7.544 1.00 0.00 H new ATOM 0 HA TRP A 651 -5.962 0.324 -6.671 1.00 0.00 H new ATOM 0 HB2 TRP A 651 -4.989 1.709 -8.542 1.00 0.00 H new ATOM 0 HB3 TRP A 651 -3.904 1.442 -7.193 1.00 0.00 H new ATOM 0 HD1 TRP A 651 -2.193 -0.890 -7.666 1.00 0.00 H new ATOM 0 HE1 TRP A 651 -0.832 -1.392 -9.806 1.00 0.00 H new ATOM 0 HE3 TRP A 651 -4.819 2.042 -10.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 651 -0.904 -0.610 -12.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 651 -4.108 2.116 -13.282 1.00 0.00 H new ATOM 0 HH2 TRP A 651 -2.178 0.803 -14.062 1.00 0.00 H new ATOM 348 N ILE A 652 -7.201 -1.513 -8.211 1.00 0.00 N ATOM 349 CA ILE A 652 -8.160 -2.042 -9.175 1.00 0.00 C ATOM 350 C ILE A 652 -9.081 -0.936 -9.682 1.00 0.00 C ATOM 351 O ILE A 652 -9.305 -0.806 -10.885 1.00 0.00 O ATOM 352 CB ILE A 652 -9.029 -3.170 -8.577 1.00 0.00 C ATOM 353 CG1 ILE A 652 -8.181 -4.134 -7.743 1.00 0.00 C ATOM 354 CG2 ILE A 652 -9.751 -3.921 -9.687 1.00 0.00 C ATOM 355 CD1 ILE A 652 -8.784 -4.453 -6.392 1.00 0.00 C ATOM 0 H ILE A 652 -7.285 -1.901 -7.271 1.00 0.00 H new ATOM 0 HA ILE A 652 -7.575 -2.452 -9.998 1.00 0.00 H new ATOM 0 HB ILE A 652 -9.770 -2.717 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -8.045 -5.061 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -7.191 -3.702 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -10.360 -4.714 -9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -10.391 -3.231 -10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -9.019 -4.357 -10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -8.131 -5.141 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -8.894 -3.534 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -9.762 -4.914 -6.530 1.00 0.00 H new ATOM 367 N PRO A 653 -9.636 -0.125 -8.762 1.00 0.00 N ATOM 368 CA PRO A 653 -10.537 0.963 -9.094 1.00 0.00 C ATOM 369 C PRO A 653 -9.817 2.306 -9.208 1.00 0.00 C ATOM 370 O PRO A 653 -9.580 2.801 -10.310 1.00 0.00 O ATOM 371 CB PRO A 653 -11.502 0.963 -7.900 1.00 0.00 C ATOM 372 CG PRO A 653 -10.779 0.260 -6.779 1.00 0.00 C ATOM 373 CD PRO A 653 -9.446 -0.200 -7.314 1.00 0.00 C ATOM 0 HA PRO A 653 -11.019 0.829 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 653 -11.769 1.981 -7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 653 -12.430 0.448 -8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 653 -10.640 0.932 -5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 653 -11.361 -0.589 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 653 -8.632 0.443 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 653 -9.207 -1.213 -6.989 1.00 0.00 H new ATOM 381 N ALA A 654 -9.471 2.889 -8.059 1.00 0.00 N ATOM 382 CA ALA A 654 -8.778 4.176 -8.012 1.00 0.00 C ATOM 383 C ALA A 654 -8.827 4.757 -6.603 1.00 0.00 C ATOM 384 O ALA A 654 -9.803 5.402 -6.222 1.00 0.00 O ATOM 385 CB ALA A 654 -9.388 5.157 -9.006 1.00 0.00 C ATOM 0 H ALA A 654 -9.662 2.486 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 654 -7.737 4.010 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 654 -8.856 6.107 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 654 -9.306 4.751 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 654 -10.439 5.315 -8.763 1.00 0.00 H new ATOM 391 N GLY A 655 -7.773 4.519 -5.831 1.00 0.00 N ATOM 392 CA GLY A 655 -7.724 5.021 -4.470 1.00 0.00 C ATOM 393 C GLY A 655 -7.990 3.936 -3.446 1.00 0.00 C ATOM 394 O GLY A 655 -8.722 4.150 -2.479 1.00 0.00 O ATOM 0 H GLY A 655 -6.952 3.988 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 655 -6.745 5.462 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 655 -8.459 5.817 -4.352 1.00 0.00 H new ATOM 398 N ILE A 656 -7.393 2.767 -3.660 1.00 0.00 N ATOM 399 CA ILE A 656 -7.564 1.639 -2.750 1.00 0.00 C ATOM 400 C ILE A 656 -6.252 1.280 -2.051 1.00 0.00 C ATOM 401 O ILE A 656 -6.238 0.957 -0.863 1.00 0.00 O ATOM 402 CB ILE A 656 -8.081 0.404 -3.504 1.00 0.00 C ATOM 403 CG1 ILE A 656 -8.473 -0.701 -2.521 1.00 0.00 C ATOM 404 CG2 ILE A 656 -7.024 -0.087 -4.476 1.00 0.00 C ATOM 405 CD1 ILE A 656 -9.689 -0.363 -1.686 1.00 0.00 C ATOM 0 H ILE A 656 -6.786 2.576 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 656 -8.294 1.942 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 656 -8.971 0.681 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 656 -8.667 -1.618 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 656 -7.631 -0.902 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 656 -7.397 -0.963 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 656 -6.794 0.702 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 656 -6.121 -0.353 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 656 -9.909 -1.191 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 656 -9.492 0.537 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -10.543 -0.191 -2.341 1.00 0.00 H new ATOM 417 N GLY A 657 -5.152 1.341 -2.798 1.00 0.00 N ATOM 418 CA GLY A 657 -3.854 1.025 -2.239 1.00 0.00 C ATOM 419 C GLY A 657 -2.812 2.037 -2.654 1.00 0.00 C ATOM 420 O GLY A 657 -2.175 2.669 -1.813 1.00 0.00 O ATOM 0 H GLY A 657 -5.140 1.605 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 657 -3.922 0.996 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 657 -3.548 0.031 -2.566 1.00 0.00 H new ATOM 424 N VAL A 658 -2.655 2.203 -3.960 1.00 0.00 N ATOM 425 CA VAL A 658 -1.703 3.161 -4.493 1.00 0.00 C ATOM 426 C VAL A 658 -2.105 4.569 -4.081 1.00 0.00 C ATOM 427 O VAL A 658 -1.274 5.377 -3.669 1.00 0.00 O ATOM 428 CB VAL A 658 -1.623 3.062 -6.031 1.00 0.00 C ATOM 429 CG1 VAL A 658 -2.861 3.662 -6.686 1.00 0.00 C ATOM 430 CG2 VAL A 658 -0.357 3.729 -6.548 1.00 0.00 C ATOM 0 H VAL A 658 -3.176 1.686 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 658 -0.718 2.932 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 658 -1.585 2.006 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 658 -2.776 3.578 -7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 658 -3.748 3.125 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 658 -2.946 4.713 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 658 -0.321 3.648 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 658 -0.357 4.781 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 658 0.515 3.237 -6.118 1.00 0.00 H new ATOM 440 N THR A 659 -3.401 4.837 -4.174 1.00 0.00 N ATOM 441 CA THR A 659 -3.954 6.125 -3.790 1.00 0.00 C ATOM 442 C THR A 659 -4.883 5.954 -2.587 1.00 0.00 C ATOM 443 O THR A 659 -5.212 6.921 -1.904 1.00 0.00 O ATOM 444 CB THR A 659 -4.703 6.760 -4.967 1.00 0.00 C ATOM 445 OG1 THR A 659 -3.794 7.167 -5.974 1.00 0.00 O ATOM 446 CG2 THR A 659 -5.525 7.973 -4.577 1.00 0.00 C ATOM 0 H THR A 659 -4.093 4.171 -4.516 1.00 0.00 H new ATOM 0 HA THR A 659 -3.138 6.791 -3.510 1.00 0.00 H new ATOM 0 HB THR A 659 -5.380 5.986 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 659 -4.289 7.569 -6.718 1.00 0.00 H new ATOM 0 HG21 THR A 659 -6.027 8.371 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 659 -6.269 7.685 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 659 -4.870 8.737 -4.157 1.00 0.00 H new ATOM 454 N GLY A 660 -5.301 4.713 -2.332 1.00 0.00 N ATOM 455 CA GLY A 660 -6.176 4.438 -1.211 1.00 0.00 C ATOM 456 C GLY A 660 -5.422 4.305 0.100 1.00 0.00 C ATOM 457 O GLY A 660 -5.813 4.886 1.112 1.00 0.00 O ATOM 0 H GLY A 660 -5.046 3.895 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 660 -6.911 5.238 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 660 -6.728 3.518 -1.403 1.00 0.00 H new ATOM 461 N VAL A 661 -4.333 3.541 0.077 1.00 0.00 N ATOM 462 CA VAL A 661 -3.511 3.334 1.266 1.00 0.00 C ATOM 463 C VAL A 661 -2.541 4.489 1.445 1.00 0.00 C ATOM 464 O VAL A 661 -2.555 5.179 2.464 1.00 0.00 O ATOM 465 CB VAL A 661 -2.731 2.002 1.201 1.00 0.00 C ATOM 466 CG1 VAL A 661 -1.728 1.900 2.343 1.00 0.00 C ATOM 467 CG2 VAL A 661 -3.692 0.824 1.229 1.00 0.00 C ATOM 0 H VAL A 661 -3.999 3.054 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 661 -4.184 3.288 2.122 1.00 0.00 H new ATOM 0 HB VAL A 661 -2.177 1.978 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 661 -1.193 0.953 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 661 -1.018 2.724 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 661 -2.255 1.950 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 661 -3.127 -0.107 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 661 -4.273 0.850 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 661 -4.365 0.883 0.374 1.00 0.00 H new ATOM 477 N VAL A 662 -1.701 4.692 0.434 1.00 0.00 N ATOM 478 CA VAL A 662 -0.715 5.763 0.444 1.00 0.00 C ATOM 479 C VAL A 662 -1.316 7.057 0.984 1.00 0.00 C ATOM 480 O VAL A 662 -0.628 7.863 1.605 1.00 0.00 O ATOM 481 CB VAL A 662 -0.178 6.007 -0.979 1.00 0.00 C ATOM 482 CG1 VAL A 662 0.710 7.248 -1.034 1.00 0.00 C ATOM 483 CG2 VAL A 662 0.580 4.785 -1.475 1.00 0.00 C ATOM 0 H VAL A 662 -1.686 4.120 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 662 0.103 5.456 1.096 1.00 0.00 H new ATOM 0 HB VAL A 662 -1.031 6.181 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 662 1.072 7.391 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 662 0.134 8.121 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 662 1.558 7.118 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 662 0.953 4.972 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 662 1.419 4.582 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 662 -0.088 3.924 -1.490 1.00 0.00 H new ATOM 493 N ILE A 663 -2.600 7.247 0.728 1.00 0.00 N ATOM 494 CA ILE A 663 -3.299 8.441 1.170 1.00 0.00 C ATOM 495 C ILE A 663 -3.723 8.334 2.634 1.00 0.00 C ATOM 496 O ILE A 663 -3.732 9.327 3.360 1.00 0.00 O ATOM 497 CB ILE A 663 -4.523 8.704 0.269 1.00 0.00 C ATOM 498 CG1 ILE A 663 -4.757 10.208 0.113 1.00 0.00 C ATOM 499 CG2 ILE A 663 -5.773 8.015 0.804 1.00 0.00 C ATOM 500 CD1 ILE A 663 -4.138 10.789 -1.139 1.00 0.00 C ATOM 0 H ILE A 663 -3.181 6.585 0.214 1.00 0.00 H new ATOM 0 HA ILE A 663 -2.611 9.283 1.089 1.00 0.00 H new ATOM 0 HB ILE A 663 -4.312 8.279 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 663 -5.830 10.401 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 663 -4.349 10.723 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 663 -6.614 8.223 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 663 -5.604 6.939 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 663 -5.995 8.389 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 663 -4.344 11.858 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 663 -3.060 10.627 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 663 -4.563 10.301 -2.016 1.00 0.00 H new ATOM 512 N ALA A 664 -4.070 7.124 3.058 1.00 0.00 N ATOM 513 CA ALA A 664 -4.491 6.888 4.433 1.00 0.00 C ATOM 514 C ALA A 664 -3.290 6.747 5.364 1.00 0.00 C ATOM 515 O ALA A 664 -3.380 7.042 6.556 1.00 0.00 O ATOM 516 CB ALA A 664 -5.367 5.646 4.509 1.00 0.00 C ATOM 0 H ALA A 664 -4.068 6.291 2.469 1.00 0.00 H new ATOM 0 HA ALA A 664 -5.070 7.752 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 664 -5.675 5.481 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 664 -6.250 5.785 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 664 -4.805 4.782 4.155 1.00 0.00 H new ATOM 522 N VAL A 665 -2.163 6.304 4.814 1.00 0.00 N ATOM 523 CA VAL A 665 -0.949 6.135 5.591 1.00 0.00 C ATOM 524 C VAL A 665 -0.199 7.457 5.683 1.00 0.00 C ATOM 525 O VAL A 665 0.418 7.771 6.701 1.00 0.00 O ATOM 526 CB VAL A 665 -0.041 5.049 4.973 1.00 0.00 C ATOM 527 CG1 VAL A 665 0.079 5.228 3.466 1.00 0.00 C ATOM 528 CG2 VAL A 665 1.328 5.063 5.625 1.00 0.00 C ATOM 0 H VAL A 665 -2.070 6.056 3.829 1.00 0.00 H new ATOM 0 HA VAL A 665 -1.228 5.812 6.594 1.00 0.00 H new ATOM 0 HB VAL A 665 -0.501 4.079 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.724 4.450 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.909 5.156 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 665 0.508 6.206 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 665 1.953 4.291 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.792 6.038 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 665 1.224 4.870 6.693 1.00 0.00 H new ATOM 538 N ILE A 666 -0.276 8.230 4.609 1.00 0.00 N ATOM 539 CA ILE A 666 0.369 9.526 4.540 1.00 0.00 C ATOM 540 C ILE A 666 -0.490 10.574 5.229 1.00 0.00 C ATOM 541 O ILE A 666 0.019 11.486 5.874 1.00 0.00 O ATOM 542 CB ILE A 666 0.588 9.938 3.074 1.00 0.00 C ATOM 543 CG1 ILE A 666 1.666 9.064 2.430 1.00 0.00 C ATOM 544 CG2 ILE A 666 0.965 11.408 2.971 1.00 0.00 C ATOM 545 CD1 ILE A 666 1.900 9.374 0.968 1.00 0.00 C ATOM 0 H ILE A 666 -0.787 7.974 3.764 1.00 0.00 H new ATOM 0 HA ILE A 666 1.334 9.456 5.043 1.00 0.00 H new ATOM 0 HB ILE A 666 -0.349 9.791 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 666 2.601 9.194 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 666 1.381 8.017 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 666 1.114 11.673 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 666 0.165 12.019 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 666 1.886 11.587 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 666 2.677 8.717 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 666 0.977 9.217 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 666 2.216 10.412 0.862 1.00 0.00 H new ATOM 557 N ALA A 667 -1.802 10.429 5.078 1.00 0.00 N ATOM 558 CA ALA A 667 -2.759 11.352 5.674 1.00 0.00 C ATOM 559 C ALA A 667 -2.358 11.728 7.098 1.00 0.00 C ATOM 560 O ALA A 667 -2.612 12.845 7.547 1.00 0.00 O ATOM 561 CB ALA A 667 -4.145 10.735 5.650 1.00 0.00 C ATOM 0 H ALA A 667 -2.229 9.673 4.543 1.00 0.00 H new ATOM 0 HA ALA A 667 -2.766 12.270 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 667 -4.859 11.427 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 667 -4.434 10.530 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 667 -4.139 9.804 6.217 1.00 0.00 H new ATOM 567 N LEU A 668 -1.722 10.792 7.797 1.00 0.00 N ATOM 568 CA LEU A 668 -1.276 11.025 9.158 1.00 0.00 C ATOM 569 C LEU A 668 0.083 11.716 9.170 1.00 0.00 C ATOM 570 O LEU A 668 0.213 12.844 9.644 1.00 0.00 O ATOM 571 CB LEU A 668 -1.191 9.699 9.910 1.00 0.00 C ATOM 572 CG LEU A 668 -0.658 9.798 11.338 1.00 0.00 C ATOM 573 CD1 LEU A 668 -1.138 11.083 11.997 1.00 0.00 C ATOM 574 CD2 LEU A 668 -1.093 8.583 12.141 1.00 0.00 C ATOM 0 H LEU A 668 -1.505 9.863 7.437 1.00 0.00 H new ATOM 0 HA LEU A 668 -1.998 11.675 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -2.184 9.251 9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -0.552 9.020 9.346 1.00 0.00 H new ATOM 0 HG LEU A 668 0.431 9.821 11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -0.749 11.138 13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -0.782 11.940 11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.228 11.093 12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -0.708 8.662 13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -2.182 8.535 12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -0.701 7.679 11.674 1.00 0.00 H new ATOM 586 N PHE A 669 1.093 11.038 8.634 1.00 0.00 N ATOM 587 CA PHE A 669 2.440 11.596 8.572 1.00 0.00 C ATOM 588 C PHE A 669 2.418 12.963 7.898 1.00 0.00 C ATOM 589 O PHE A 669 3.293 13.797 8.127 1.00 0.00 O ATOM 590 CB PHE A 669 3.371 10.648 7.813 1.00 0.00 C ATOM 591 CG PHE A 669 4.668 10.382 8.523 1.00 0.00 C ATOM 592 CD1 PHE A 669 4.711 9.536 9.619 1.00 0.00 C ATOM 593 CD2 PHE A 669 5.843 10.976 8.093 1.00 0.00 C ATOM 594 CE1 PHE A 669 5.902 9.288 10.274 1.00 0.00 C ATOM 595 CE2 PHE A 669 7.037 10.732 8.743 1.00 0.00 C ATOM 596 CZ PHE A 669 7.067 9.887 9.835 1.00 0.00 C ATOM 0 H PHE A 669 1.005 10.103 8.237 1.00 0.00 H new ATOM 0 HA PHE A 669 2.814 11.715 9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 669 2.856 9.702 7.648 1.00 0.00 H new ATOM 0 HB3 PHE A 669 3.584 11.070 6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 669 3.803 9.065 9.966 1.00 0.00 H new ATOM 0 HD2 PHE A 669 5.825 11.638 7.240 1.00 0.00 H new ATOM 0 HE1 PHE A 669 5.922 8.627 11.128 1.00 0.00 H new ATOM 0 HE2 PHE A 669 7.946 11.202 8.398 1.00 0.00 H new ATOM 0 HZ PHE A 669 7.999 9.695 10.345 1.00 0.00 H new ATOM 606 N ALA A 670 1.403 13.181 7.070 1.00 0.00 N ATOM 607 CA ALA A 670 1.245 14.438 6.359 1.00 0.00 C ATOM 608 C ALA A 670 0.779 15.548 7.299 1.00 0.00 C ATOM 609 O ALA A 670 0.972 16.728 7.012 1.00 0.00 O ATOM 610 CB ALA A 670 0.269 14.265 5.203 1.00 0.00 C ATOM 0 H ALA A 670 0.673 12.496 6.875 1.00 0.00 H new ATOM 0 HA ALA A 670 2.216 14.730 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 670 0.157 15.213 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 670 0.650 13.510 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -0.700 13.948 5.589 1.00 0.00 H new ATOM 616 N ILE A 671 0.169 15.170 8.426 1.00 0.00 N ATOM 617 CA ILE A 671 -0.309 16.152 9.395 1.00 0.00 C ATOM 618 C ILE A 671 0.839 16.737 10.185 1.00 0.00 C ATOM 619 O ILE A 671 1.031 17.951 10.229 1.00 0.00 O ATOM 620 CB ILE A 671 -1.313 15.547 10.393 1.00 0.00 C ATOM 621 CG1 ILE A 671 -2.279 14.593 9.687 1.00 0.00 C ATOM 622 CG2 ILE A 671 -2.073 16.656 11.101 1.00 0.00 C ATOM 623 CD1 ILE A 671 -3.310 13.980 10.610 1.00 0.00 C ATOM 0 H ILE A 671 -0.003 14.199 8.686 1.00 0.00 H new ATOM 0 HA ILE A 671 -0.807 16.929 8.814 1.00 0.00 H new ATOM 0 HB ILE A 671 -0.760 14.971 11.135 1.00 0.00 H new ATOM 0 HG12 ILE A 671 -2.792 15.133 8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 671 -1.707 13.795 9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 671 -2.781 16.220 11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 671 -1.371 17.292 11.640 1.00 0.00 H new ATOM 0 HG23 ILE A 671 -2.613 17.253 10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 671 -3.959 13.316 10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 671 -2.806 13.412 11.392 1.00 0.00 H new ATOM 0 HD13 ILE A 671 -3.908 14.770 11.064 1.00 0.00 H new ATOM 635 N ALA A 672 1.601 15.858 10.808 1.00 0.00 N ATOM 636 CA ALA A 672 2.741 16.262 11.604 1.00 0.00 C ATOM 637 C ALA A 672 3.597 17.264 10.850 1.00 0.00 C ATOM 638 O ALA A 672 3.749 18.410 11.264 1.00 0.00 O ATOM 639 CB ALA A 672 3.552 15.039 11.959 1.00 0.00 C ATOM 0 H ALA A 672 1.447 14.850 10.776 1.00 0.00 H new ATOM 0 HA ALA A 672 2.389 16.744 12.516 1.00 0.00 H new ATOM 0 HB1 ALA A 672 4.413 15.335 12.559 1.00 0.00 H new ATOM 0 HB2 ALA A 672 2.934 14.345 12.529 1.00 0.00 H new ATOM 0 HB3 ALA A 672 3.896 14.553 11.046 1.00 0.00 H new ATOM 645 N LYS A 673 4.141 16.820 9.732 1.00 0.00 N ATOM 646 CA LYS A 673 4.977 17.668 8.900 1.00 0.00 C ATOM 647 C LYS A 673 4.242 18.948 8.503 1.00 0.00 C ATOM 648 O LYS A 673 4.869 19.951 8.160 1.00 0.00 O ATOM 649 CB LYS A 673 5.417 16.907 7.649 1.00 0.00 C ATOM 650 CG LYS A 673 4.308 16.077 7.019 1.00 0.00 C ATOM 651 CD LYS A 673 3.895 16.630 5.665 1.00 0.00 C ATOM 652 CE LYS A 673 4.531 15.851 4.526 1.00 0.00 C ATOM 653 NZ LYS A 673 4.193 16.433 3.198 1.00 0.00 N ATOM 0 H LYS A 673 4.018 15.872 9.377 1.00 0.00 H new ATOM 0 HA LYS A 673 5.857 17.948 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 673 5.789 17.619 6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 673 6.249 16.251 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 673 4.644 15.047 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 673 3.444 16.058 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 673 2.810 16.592 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 673 4.184 17.679 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 673 5.614 15.841 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 673 4.196 14.814 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 673 4.646 15.873 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 673 3.162 16.419 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 673 4.535 17.414 3.152 1.00 0.00 H new ATOM 667 N PHE A 674 2.911 18.910 8.552 1.00 0.00 N ATOM 668 CA PHE A 674 2.103 20.072 8.197 1.00 0.00 C ATOM 669 C PHE A 674 2.326 21.214 9.183 1.00 0.00 C ATOM 670 O PHE A 674 2.547 22.357 8.784 1.00 0.00 O ATOM 671 CB PHE A 674 0.620 19.699 8.166 1.00 0.00 C ATOM 672 CG PHE A 674 -0.210 20.608 7.306 1.00 0.00 C ATOM 673 CD1 PHE A 674 -0.790 21.748 7.838 1.00 0.00 C ATOM 674 CD2 PHE A 674 -0.412 20.321 5.965 1.00 0.00 C ATOM 675 CE1 PHE A 674 -1.556 22.586 7.050 1.00 0.00 C ATOM 676 CE2 PHE A 674 -1.176 21.155 5.171 1.00 0.00 C ATOM 677 CZ PHE A 674 -1.749 22.289 5.714 1.00 0.00 C ATOM 0 H PHE A 674 2.373 18.090 8.833 1.00 0.00 H new ATOM 0 HA PHE A 674 2.410 20.404 7.205 1.00 0.00 H new ATOM 0 HB2 PHE A 674 0.519 18.676 7.803 1.00 0.00 H new ATOM 0 HB3 PHE A 674 0.228 19.717 9.183 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -0.642 21.985 8.881 1.00 0.00 H new ATOM 0 HD2 PHE A 674 0.033 19.435 5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -2.003 23.471 7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -1.325 20.921 4.127 1.00 0.00 H new ATOM 0 HZ PHE A 674 -2.347 22.942 5.096 1.00 0.00 H new ATOM 687 N VAL A 675 2.262 20.897 10.473 1.00 0.00 N ATOM 688 CA VAL A 675 2.454 21.901 11.514 1.00 0.00 C ATOM 689 C VAL A 675 3.854 21.814 12.112 1.00 0.00 C ATOM 690 O VAL A 675 4.504 22.832 12.351 1.00 0.00 O ATOM 691 CB VAL A 675 1.417 21.745 12.642 1.00 0.00 C ATOM 692 CG1 VAL A 675 1.494 22.919 13.606 1.00 0.00 C ATOM 693 CG2 VAL A 675 0.016 21.610 12.064 1.00 0.00 C ATOM 0 H VAL A 675 2.079 19.956 10.821 1.00 0.00 H new ATOM 0 HA VAL A 675 2.324 22.874 11.041 1.00 0.00 H new ATOM 0 HB VAL A 675 1.645 20.835 13.197 1.00 0.00 H new ATOM 0 HG11 VAL A 675 0.754 22.790 14.396 1.00 0.00 H new ATOM 0 HG12 VAL A 675 2.490 22.964 14.046 1.00 0.00 H new ATOM 0 HG13 VAL A 675 1.293 23.845 13.068 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -0.703 21.501 12.876 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -0.225 22.500 11.483 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -0.029 20.732 11.419 1.00 0.00 H new ATOM 703 N PHE A 676 4.312 20.591 12.350 1.00 0.00 N ATOM 704 CA PHE A 676 5.636 20.361 12.919 1.00 0.00 C ATOM 705 C PHE A 676 6.326 19.187 12.230 1.00 0.00 C ATOM 706 O PHE A 676 6.244 18.059 12.759 1.00 0.00 O ATOM 707 CB PHE A 676 5.542 20.100 14.428 1.00 0.00 C ATOM 708 CG PHE A 676 4.208 19.573 14.880 1.00 0.00 C ATOM 709 CD1 PHE A 676 3.598 18.519 14.215 1.00 0.00 C ATOM 710 CD2 PHE A 676 3.565 20.133 15.972 1.00 0.00 C ATOM 711 CE1 PHE A 676 2.369 18.036 14.635 1.00 0.00 C ATOM 712 CE2 PHE A 676 2.339 19.655 16.394 1.00 0.00 C ATOM 713 CZ PHE A 676 1.741 18.605 15.725 1.00 0.00 C ATOM 714 OXT PHE A 676 6.942 19.407 11.166 1.00 0.00 O ATOM 0 H PHE A 676 3.784 19.740 12.157 1.00 0.00 H new ATOM 0 HA PHE A 676 6.230 21.260 12.756 1.00 0.00 H new ATOM 0 HB2 PHE A 676 6.317 19.387 14.711 1.00 0.00 H new ATOM 0 HB3 PHE A 676 5.753 21.028 14.960 1.00 0.00 H new ATOM 0 HD1 PHE A 676 4.086 18.071 13.362 1.00 0.00 H new ATOM 0 HD2 PHE A 676 4.028 20.954 16.500 1.00 0.00 H new ATOM 0 HE1 PHE A 676 1.903 17.215 14.110 1.00 0.00 H new ATOM 0 HE2 PHE A 676 1.849 20.102 17.246 1.00 0.00 H new ATOM 0 HZ PHE A 676 0.783 18.230 16.054 1.00 0.00 H new TER 724 PHE A 676