USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 622 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 470 THR OG1 : rot -114:sc= -0.382 USER MOD Set 1.2: A 471 LYS NZ :NH3+ -112:sc= -1.57! (180deg=-4.8!) USER MOD Set 2.1: A 462 TYR OH : rot -153:sc= 1.16 USER MOD Set 2.2: A 476 LYS NZ :NH3+ -140:sc= 0.248 (180deg=0.216) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 464 THR OG1 : rot -75:sc= 0.339 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -169:sc= -5.97! (180deg=-6.54!) USER MOD Single : A 469 THR OG1 : rot -170:sc= 0.281 USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 488 GLN : amide:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 489 THR OG1 : rot 94:sc= 0.77 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 495 GLN : amide:sc= -5.6! C(o=-5.6!,f=-7.7!) USER MOD Single : A 498 LYS NZ :NH3+ 162:sc= -2.75! (180deg=-3.49!) USER MOD Single : A 501 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.7!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 165:sc= -1.02 (180deg=-1.55!) USER MOD Single : A 508 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -145:sc= -4.33! (180deg=-5.98!) USER MOD Single : A 512 HIS : no HE2:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 514 SER OG : rot -112:sc= -3.84! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -0.668 F(o=-2.6,f=-0.67) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 2.007 -2.789 13.252 1.00 0.00 N ATOM 75 CA ASP B 587 2.696 -1.828 12.400 1.00 0.00 C ATOM 76 C ASP B 587 4.151 -2.224 12.171 1.00 0.00 C ATOM 77 O ASP B 587 4.772 -1.805 11.196 1.00 0.00 O ATOM 78 CB ASP B 587 2.622 -0.435 13.021 1.00 0.00 C ATOM 79 CG ASP B 587 2.342 0.644 11.993 1.00 0.00 C ATOM 80 OD1 ASP B 587 3.309 1.152 11.387 1.00 0.00 O ATOM 81 OD2 ASP B 587 1.155 0.982 11.796 1.00 0.00 O ATOM 0 HA ASP B 587 2.197 -1.820 11.431 1.00 0.00 H new ATOM 0 HB2 ASP B 587 1.841 -0.420 13.781 1.00 0.00 H new ATOM 0 HB3 ASP B 587 3.562 -0.216 13.527 1.00 0.00 H new ATOM 86 N ASP B 588 4.692 -3.033 13.073 1.00 0.00 N ATOM 87 CA ASP B 588 6.072 -3.482 12.962 1.00 0.00 C ATOM 88 C ASP B 588 6.359 -4.054 11.580 1.00 0.00 C ATOM 89 O ASP B 588 7.389 -3.755 10.972 1.00 0.00 O ATOM 90 CB ASP B 588 6.374 -4.522 14.029 1.00 0.00 C ATOM 91 CG ASP B 588 7.859 -4.656 14.307 1.00 0.00 C ATOM 92 OD1 ASP B 588 8.632 -4.823 13.340 1.00 0.00 O ATOM 93 OD2 ASP B 588 8.249 -4.592 15.492 1.00 0.00 O ATOM 0 H ASP B 588 4.196 -3.391 13.889 1.00 0.00 H new ATOM 0 HA ASP B 588 6.718 -2.617 13.111 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.858 -4.252 14.951 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.978 -5.487 13.713 1.00 0.00 H new ATOM 98 N HIS B 589 5.444 -4.874 11.092 1.00 0.00 N ATOM 99 CA HIS B 589 5.584 -5.492 9.788 1.00 0.00 C ATOM 100 C HIS B 589 5.187 -4.535 8.668 1.00 0.00 C ATOM 101 O HIS B 589 5.596 -4.707 7.520 1.00 0.00 O ATOM 102 CB HIS B 589 4.736 -6.759 9.723 1.00 0.00 C ATOM 103 CG HIS B 589 3.300 -6.560 10.103 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.384 -5.653 9.683 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.647 -7.368 11.009 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 1.207 -5.932 10.335 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.393 -6.970 11.129 1.00 0.00 N flip ATOM 0 H HIS B 589 4.589 -5.128 11.586 1.00 0.00 H new ATOM 0 HA HIS B 589 6.634 -5.749 9.647 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.780 -7.160 8.710 1.00 0.00 H new ATOM 0 HB3 HIS B 589 5.173 -7.509 10.382 1.00 0.00 H new ATOM 0 HD2 HIS B 589 3.092 -8.198 11.539 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.280 -5.390 10.217 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.688 -7.393 11.733 1.00 0.00 H new ATOM 116 N LEU B 590 4.386 -3.530 9.004 1.00 0.00 N ATOM 117 CA LEU B 590 3.935 -2.553 8.017 1.00 0.00 C ATOM 118 C LEU B 590 5.121 -1.901 7.318 1.00 0.00 C ATOM 119 O LEU B 590 5.040 -1.527 6.150 1.00 0.00 O ATOM 120 CB LEU B 590 3.064 -1.487 8.682 1.00 0.00 C ATOM 121 CG LEU B 590 2.690 -0.302 7.790 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.651 -0.713 6.759 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.179 0.850 8.638 1.00 0.00 C ATOM 0 H LEU B 590 4.036 -3.370 9.949 1.00 0.00 H new ATOM 0 HA LEU B 590 3.341 -3.077 7.268 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.147 -1.959 9.036 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.587 -1.109 9.560 1.00 0.00 H new ATOM 0 HG LEU B 590 3.582 0.028 7.257 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.399 0.144 6.135 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.054 -1.511 6.135 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.754 -1.068 7.267 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.916 1.688 7.993 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.298 0.530 9.194 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.956 1.160 9.337 1.00 0.00 H new ATOM 135 N ILE B 591 6.224 -1.761 8.038 1.00 0.00 N ATOM 136 CA ILE B 591 7.419 -1.161 7.480 1.00 0.00 C ATOM 137 C ILE B 591 8.268 -2.206 6.749 1.00 0.00 C ATOM 138 O ILE B 591 8.986 -1.886 5.804 1.00 0.00 O ATOM 139 CB ILE B 591 8.260 -0.459 8.567 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.460 0.691 9.187 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.571 0.056 7.987 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.203 1.424 10.281 1.00 0.00 C ATOM 0 H ILE B 591 6.313 -2.056 9.010 1.00 0.00 H new ATOM 0 HA ILE B 591 7.097 -0.408 6.761 1.00 0.00 H new ATOM 0 HB ILE B 591 8.496 -1.184 9.346 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.192 1.400 8.404 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.528 0.297 9.593 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.148 0.547 8.771 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.144 -0.779 7.584 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.361 0.769 7.190 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.576 2.225 10.673 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.448 0.728 11.084 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.122 1.848 9.876 1.00 0.00 H new ATOM 154 N TYR B 592 8.188 -3.457 7.206 1.00 0.00 N ATOM 155 CA TYR B 592 8.955 -4.550 6.608 1.00 0.00 C ATOM 156 C TYR B 592 8.508 -4.834 5.180 1.00 0.00 C ATOM 157 O TYR B 592 9.333 -5.093 4.304 1.00 0.00 O ATOM 158 CB TYR B 592 8.858 -5.809 7.488 1.00 0.00 C ATOM 159 CG TYR B 592 8.443 -7.063 6.751 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.154 -7.198 6.262 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.341 -8.101 6.534 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.765 -8.327 5.580 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.958 -9.240 5.851 1.00 0.00 C ATOM 164 CZ TYR B 592 7.668 -9.348 5.375 1.00 0.00 C ATOM 165 OH TYR B 592 7.282 -10.478 4.692 1.00 0.00 O ATOM 0 H TYR B 592 7.599 -3.738 7.990 1.00 0.00 H new ATOM 0 HA TYR B 592 10.000 -4.245 6.557 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.826 -5.983 7.958 1.00 0.00 H new ATOM 0 HB3 TYR B 592 8.144 -5.622 8.290 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.441 -6.402 6.419 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.352 -8.017 6.904 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.755 -8.413 5.206 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.665 -10.041 5.691 1.00 0.00 H new ATOM 0 HH TYR B 592 8.038 -11.099 4.634 1.00 0.00 H new ATOM 175 N LEU B 593 7.211 -4.780 4.944 1.00 0.00 N ATOM 176 CA LEU B 593 6.686 -5.026 3.609 1.00 0.00 C ATOM 177 C LEU B 593 6.871 -3.787 2.738 1.00 0.00 C ATOM 178 O LEU B 593 6.822 -3.860 1.513 1.00 0.00 O ATOM 179 CB LEU B 593 5.210 -5.469 3.660 1.00 0.00 C ATOM 180 CG LEU B 593 4.153 -4.386 3.407 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.373 -3.202 4.327 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.151 -3.951 1.948 1.00 0.00 C ATOM 0 H LEU B 593 6.505 -4.570 5.650 1.00 0.00 H new ATOM 0 HA LEU B 593 7.248 -5.846 3.161 1.00 0.00 H new ATOM 0 HB2 LEU B 593 5.068 -6.261 2.925 1.00 0.00 H new ATOM 0 HB3 LEU B 593 5.020 -5.906 4.640 1.00 0.00 H new ATOM 0 HG LEU B 593 3.173 -4.811 3.626 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.614 -2.444 4.133 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.302 -3.529 5.364 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.362 -2.780 4.146 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.392 -3.183 1.798 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.130 -3.549 1.687 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.929 -4.809 1.313 1.00 0.00 H new ATOM 194 N GLU B 594 7.085 -2.649 3.383 1.00 0.00 N ATOM 195 CA GLU B 594 7.280 -1.400 2.669 1.00 0.00 C ATOM 196 C GLU B 594 8.539 -1.440 1.809 1.00 0.00 C ATOM 197 O GLU B 594 8.595 -0.827 0.742 1.00 0.00 O ATOM 198 CB GLU B 594 7.363 -0.242 3.655 1.00 0.00 C ATOM 199 CG GLU B 594 7.739 1.087 3.016 1.00 0.00 C ATOM 200 CD GLU B 594 7.947 2.187 4.038 1.00 0.00 C ATOM 201 OE1 GLU B 594 8.403 1.879 5.158 1.00 0.00 O ATOM 202 OE2 GLU B 594 7.654 3.358 3.717 1.00 0.00 O ATOM 0 H GLU B 594 7.128 -2.567 4.399 1.00 0.00 H new ATOM 0 HA GLU B 594 6.425 -1.255 2.009 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.401 -0.134 4.155 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.096 -0.484 4.424 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.651 0.960 2.433 1.00 0.00 H new ATOM 0 HG3 GLU B 594 6.955 1.386 2.320 1.00 0.00 H new ATOM 209 N GLU B 595 9.555 -2.139 2.297 1.00 0.00 N ATOM 210 CA GLU B 595 10.832 -2.232 1.595 1.00 0.00 C ATOM 211 C GLU B 595 10.786 -3.191 0.413 1.00 0.00 C ATOM 212 O GLU B 595 11.292 -2.881 -0.666 1.00 0.00 O ATOM 213 CB GLU B 595 11.945 -2.642 2.564 1.00 0.00 C ATOM 214 CG GLU B 595 11.597 -3.838 3.434 1.00 0.00 C ATOM 215 CD GLU B 595 12.806 -4.403 4.156 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.876 -4.517 3.523 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.681 -4.731 5.354 1.00 0.00 O ATOM 0 H GLU B 595 9.521 -2.652 3.178 1.00 0.00 H new ATOM 0 HA GLU B 595 11.044 -1.241 1.194 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.844 -2.871 1.992 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.183 -1.795 3.207 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.845 -3.544 4.166 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.151 -4.616 2.815 1.00 0.00 H new ATOM 224 N ILE B 596 10.190 -4.351 0.616 1.00 0.00 N ATOM 225 CA ILE B 596 10.093 -5.357 -0.448 1.00 0.00 C ATOM 226 C ILE B 596 9.543 -4.765 -1.736 1.00 0.00 C ATOM 227 O ILE B 596 9.812 -5.260 -2.830 1.00 0.00 O ATOM 228 CB ILE B 596 9.194 -6.539 -0.037 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.827 -6.028 0.396 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.842 -7.346 1.076 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.689 -6.920 -0.034 1.00 0.00 C ATOM 0 H ILE B 596 9.765 -4.628 1.501 1.00 0.00 H new ATOM 0 HA ILE B 596 11.110 -5.713 -0.615 1.00 0.00 H new ATOM 0 HB ILE B 596 9.066 -7.195 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.811 -5.930 1.481 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.673 -5.031 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.190 -8.175 1.351 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.800 -7.736 0.732 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.001 -6.706 1.944 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.745 -6.496 0.308 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.679 -6.999 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.820 -7.911 0.400 1.00 0.00 H new ATOM 243 N LEU B 597 8.761 -3.716 -1.588 1.00 0.00 N ATOM 244 CA LEU B 597 8.141 -3.045 -2.717 1.00 0.00 C ATOM 245 C LEU B 597 9.120 -2.194 -3.490 1.00 0.00 C ATOM 246 O LEU B 597 9.610 -2.576 -4.553 1.00 0.00 O ATOM 247 CB LEU B 597 7.006 -2.167 -2.207 1.00 0.00 C ATOM 248 CG LEU B 597 6.557 -1.048 -3.155 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.902 -1.618 -4.400 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.612 -0.101 -2.438 1.00 0.00 C ATOM 0 H LEU B 597 8.536 -3.303 -0.683 1.00 0.00 H new ATOM 0 HA LEU B 597 7.768 -3.812 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.147 -2.803 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.314 -1.717 -1.263 1.00 0.00 H new ATOM 0 HG LEU B 597 7.440 -0.490 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.593 -0.803 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.613 -2.256 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU B 597 5.029 -2.205 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.300 0.689 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.736 -0.651 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.120 0.341 -1.581 1.00 0.00 H new ATOM 262 N VAL B 598 9.356 -1.017 -2.956 1.00 0.00 N ATOM 263 CA VAL B 598 10.222 -0.058 -3.584 1.00 0.00 C ATOM 264 C VAL B 598 11.044 0.678 -2.546 1.00 0.00 C ATOM 265 O VAL B 598 11.395 1.845 -2.722 1.00 0.00 O ATOM 266 CB VAL B 598 9.403 0.960 -4.401 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.591 0.268 -5.490 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.488 1.759 -3.483 1.00 0.00 C ATOM 0 H VAL B 598 8.951 -0.702 -2.074 1.00 0.00 H new ATOM 0 HA VAL B 598 10.891 -0.599 -4.253 1.00 0.00 H new ATOM 0 HB VAL B 598 10.100 1.643 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL B 598 8.024 1.012 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.264 -0.259 -6.166 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.904 -0.445 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.915 2.474 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.805 1.082 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.088 2.294 -2.747 1.00 0.00 H new ATOM 367 N VAL A 454 -8.299 -6.078 -1.857 1.00 0.00 N ATOM 368 CA VAL A 454 -7.035 -5.516 -2.315 1.00 0.00 C ATOM 369 C VAL A 454 -6.499 -6.288 -3.505 1.00 0.00 C ATOM 370 O VAL A 454 -6.126 -7.456 -3.387 1.00 0.00 O ATOM 371 CB VAL A 454 -5.988 -5.505 -1.185 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.571 -5.372 -1.732 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.300 -4.378 -0.228 1.00 0.00 C ATOM 0 HA VAL A 454 -7.227 -4.487 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.038 -6.457 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -3.861 -5.368 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.355 -6.212 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.483 -4.440 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.561 -4.366 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.271 -3.428 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.293 -4.525 0.196 1.00 0.00 H new ATOM 383 N THR A 455 -6.473 -5.634 -4.655 1.00 0.00 N ATOM 384 CA THR A 455 -5.994 -6.271 -5.865 1.00 0.00 C ATOM 385 C THR A 455 -5.001 -5.414 -6.615 1.00 0.00 C ATOM 386 O THR A 455 -4.866 -4.217 -6.367 1.00 0.00 O ATOM 387 CB THR A 455 -7.167 -6.605 -6.769 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.991 -5.468 -6.965 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.021 -7.703 -6.191 1.00 0.00 C ATOM 0 H THR A 455 -6.777 -4.668 -4.773 1.00 0.00 H new ATOM 0 HA THR A 455 -5.477 -7.183 -5.567 1.00 0.00 H new ATOM 0 HB THR A 455 -6.744 -6.935 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.740 -5.704 -7.552 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.850 -7.913 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.419 -8.603 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.413 -7.388 -5.224 1.00 0.00 H new ATOM 397 N GLU A 456 -4.323 -6.051 -7.550 1.00 0.00 N ATOM 398 CA GLU A 456 -3.345 -5.391 -8.381 1.00 0.00 C ATOM 399 C GLU A 456 -3.995 -4.286 -9.193 1.00 0.00 C ATOM 400 O GLU A 456 -3.555 -3.139 -9.172 1.00 0.00 O ATOM 401 CB GLU A 456 -2.719 -6.418 -9.312 1.00 0.00 C ATOM 402 CG GLU A 456 -1.483 -7.090 -8.735 1.00 0.00 C ATOM 403 CD GLU A 456 -0.819 -8.029 -9.724 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.089 -7.538 -10.611 1.00 0.00 O ATOM 405 OE2 GLU A 456 -1.031 -9.255 -9.613 1.00 0.00 O ATOM 0 H GLU A 456 -4.438 -7.044 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.577 -4.944 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.460 -7.181 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.453 -5.931 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.768 -6.327 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.760 -7.647 -7.840 1.00 0.00 H new ATOM 412 N ASP A 457 -5.043 -4.657 -9.912 1.00 0.00 N ATOM 413 CA ASP A 457 -5.774 -3.718 -10.760 1.00 0.00 C ATOM 414 C ASP A 457 -6.332 -2.538 -9.967 1.00 0.00 C ATOM 415 O ASP A 457 -6.516 -1.448 -10.508 1.00 0.00 O ATOM 416 CB ASP A 457 -6.910 -4.440 -11.482 1.00 0.00 C ATOM 417 CG ASP A 457 -6.752 -4.408 -12.990 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.891 -3.316 -13.579 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.488 -5.476 -13.582 1.00 0.00 O ATOM 0 H ASP A 457 -5.411 -5.608 -9.927 1.00 0.00 H new ATOM 0 HA ASP A 457 -5.067 -3.320 -11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.949 -5.476 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.860 -3.980 -11.209 1.00 0.00 H new ATOM 424 N ALA A 458 -6.609 -2.763 -8.693 1.00 0.00 N ATOM 425 CA ALA A 458 -7.159 -1.720 -7.835 1.00 0.00 C ATOM 426 C ALA A 458 -6.106 -0.686 -7.460 1.00 0.00 C ATOM 427 O ALA A 458 -6.399 0.506 -7.384 1.00 0.00 O ATOM 428 CB ALA A 458 -7.768 -2.332 -6.579 1.00 0.00 C ATOM 0 H ALA A 458 -6.463 -3.659 -8.227 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.940 -1.209 -8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.174 -1.541 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.567 -3.019 -6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.999 -2.875 -6.029 1.00 0.00 H new ATOM 434 N VAL A 459 -4.883 -1.139 -7.218 1.00 0.00 N ATOM 435 CA VAL A 459 -3.814 -0.228 -6.847 1.00 0.00 C ATOM 436 C VAL A 459 -3.395 0.637 -8.025 1.00 0.00 C ATOM 437 O VAL A 459 -3.115 1.823 -7.865 1.00 0.00 O ATOM 438 CB VAL A 459 -2.590 -0.967 -6.284 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.611 0.028 -5.680 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.018 -1.995 -5.247 1.00 0.00 C ATOM 0 H VAL A 459 -4.611 -2.120 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.213 0.411 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.093 -1.493 -7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.747 -0.506 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.284 0.728 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.100 0.576 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.138 -2.509 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.535 -1.493 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.688 -2.721 -5.709 1.00 0.00 H new ATOM 450 N ARG A 460 -3.378 0.046 -9.213 1.00 0.00 N ATOM 451 CA ARG A 460 -3.014 0.781 -10.425 1.00 0.00 C ATOM 452 C ARG A 460 -3.859 2.045 -10.533 1.00 0.00 C ATOM 453 O ARG A 460 -3.334 3.152 -10.641 1.00 0.00 O ATOM 454 CB ARG A 460 -3.224 -0.075 -11.679 1.00 0.00 C ATOM 455 CG ARG A 460 -2.744 -1.512 -11.546 1.00 0.00 C ATOM 456 CD ARG A 460 -1.293 -1.585 -11.099 1.00 0.00 C ATOM 457 NE ARG A 460 -0.415 -2.056 -12.168 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.321 -3.329 -12.543 1.00 0.00 C ATOM 459 NH1 ARG A 460 -1.050 -4.262 -11.941 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.502 -3.672 -13.524 1.00 0.00 N ATOM 0 H ARG A 460 -3.610 -0.935 -9.367 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.958 1.041 -10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.285 -0.081 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.704 0.393 -12.515 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.372 -2.040 -10.828 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.855 -2.022 -12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.965 -0.599 -10.768 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.211 -2.253 -10.241 1.00 0.00 H new ATOM 0 HE ARG A 460 0.160 -1.368 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.686 -4.004 -11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.973 -5.236 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.063 -2.960 -13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.574 -4.648 -13.811 1.00 0.00 H new ATOM 474 N ARG A 461 -5.176 1.861 -10.488 1.00 0.00 N ATOM 475 CA ARG A 461 -6.117 2.972 -10.568 1.00 0.00 C ATOM 476 C ARG A 461 -5.840 3.999 -9.472 1.00 0.00 C ATOM 477 O ARG A 461 -6.118 5.187 -9.637 1.00 0.00 O ATOM 478 CB ARG A 461 -7.555 2.443 -10.488 1.00 0.00 C ATOM 479 CG ARG A 461 -8.022 2.133 -9.082 1.00 0.00 C ATOM 480 CD ARG A 461 -9.500 2.430 -8.907 1.00 0.00 C ATOM 481 NE ARG A 461 -9.738 3.450 -7.888 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.901 3.614 -7.260 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.934 2.832 -7.546 1.00 0.00 N ATOM 484 NH2 ARG A 461 -11.030 4.563 -6.343 1.00 0.00 N ATOM 0 H ARG A 461 -5.617 0.946 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.989 3.476 -11.526 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.227 3.180 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.633 1.539 -11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.832 1.083 -8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.445 2.721 -8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.918 2.763 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -10.023 1.514 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 461 -8.968 4.073 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.840 2.100 -8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.822 2.963 -7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -10.239 5.167 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.920 4.689 -5.862 1.00 0.00 H new ATOM 498 N TYR A 462 -5.273 3.538 -8.361 1.00 0.00 N ATOM 499 CA TYR A 462 -4.944 4.427 -7.256 1.00 0.00 C ATOM 500 C TYR A 462 -3.732 5.278 -7.611 1.00 0.00 C ATOM 501 O TYR A 462 -3.734 6.490 -7.412 1.00 0.00 O ATOM 502 CB TYR A 462 -4.664 3.629 -5.978 1.00 0.00 C ATOM 503 CG TYR A 462 -5.824 2.772 -5.508 1.00 0.00 C ATOM 504 CD1 TYR A 462 -7.119 2.990 -5.968 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.618 1.744 -4.599 1.00 0.00 C ATOM 506 CE1 TYR A 462 -8.171 2.206 -5.534 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.664 0.957 -4.162 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.939 1.191 -4.631 1.00 0.00 C ATOM 509 OH TYR A 462 -8.984 0.409 -4.197 1.00 0.00 O ATOM 0 H TYR A 462 -5.034 2.559 -8.204 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.800 5.078 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.799 2.987 -6.147 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.395 4.323 -5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.305 3.785 -6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.622 1.557 -4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -9.170 2.388 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.484 0.161 -3.455 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.781 0.058 -3.305 1.00 0.00 H new ATOM 519 N LEU A 463 -2.701 4.627 -8.141 1.00 0.00 N ATOM 520 CA LEU A 463 -1.478 5.306 -8.528 1.00 0.00 C ATOM 521 C LEU A 463 -1.718 6.267 -9.680 1.00 0.00 C ATOM 522 O LEU A 463 -1.446 7.463 -9.568 1.00 0.00 O ATOM 523 CB LEU A 463 -0.425 4.280 -8.931 1.00 0.00 C ATOM 524 CG LEU A 463 -0.422 2.982 -8.119 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.904 2.259 -8.273 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.715 3.259 -6.651 1.00 0.00 C ATOM 0 H LEU A 463 -2.693 3.621 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.127 5.882 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.571 4.030 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.558 4.743 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.212 2.338 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.887 1.339 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.067 2.019 -9.324 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.711 2.900 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.707 2.321 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.047 3.926 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.694 3.728 -6.558 1.00 0.00 H new ATOM 538 N THR A 464 -2.231 5.742 -10.790 1.00 0.00 N ATOM 539 CA THR A 464 -2.507 6.560 -11.960 1.00 0.00 C ATOM 540 C THR A 464 -3.270 7.813 -11.563 1.00 0.00 C ATOM 541 O THR A 464 -3.177 8.850 -12.221 1.00 0.00 O ATOM 542 CB THR A 464 -3.300 5.764 -12.996 1.00 0.00 C ATOM 543 OG1 THR A 464 -3.962 4.665 -12.393 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.444 5.229 -14.124 1.00 0.00 C ATOM 0 H THR A 464 -2.462 4.755 -10.900 1.00 0.00 H new ATOM 0 HA THR A 464 -1.556 6.856 -12.404 1.00 0.00 H new ATOM 0 HB THR A 464 -4.018 6.471 -13.412 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.310 3.963 -12.187 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.069 4.674 -14.824 1.00 0.00 H new ATOM 0 HG22 THR A 464 -1.967 6.060 -14.644 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.679 4.567 -13.718 1.00 0.00 H new ATOM 552 N ARG A 465 -4.018 7.709 -10.477 1.00 0.00 N ATOM 553 CA ARG A 465 -4.790 8.824 -9.980 1.00 0.00 C ATOM 554 C ARG A 465 -3.956 9.671 -9.017 1.00 0.00 C ATOM 555 O ARG A 465 -3.820 10.879 -9.200 1.00 0.00 O ATOM 556 CB ARG A 465 -6.057 8.330 -9.281 1.00 0.00 C ATOM 557 CG ARG A 465 -6.958 9.451 -8.788 1.00 0.00 C ATOM 558 CD ARG A 465 -7.582 9.115 -7.443 1.00 0.00 C ATOM 559 NE ARG A 465 -8.540 10.132 -7.014 1.00 0.00 N ATOM 560 CZ ARG A 465 -9.786 10.216 -7.472 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.231 9.348 -8.372 1.00 0.00 N ATOM 562 NH2 ARG A 465 -10.592 11.172 -7.028 1.00 0.00 N ATOM 0 H ARG A 465 -4.104 6.857 -9.924 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.077 9.443 -10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.619 7.700 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.774 7.704 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.381 10.372 -8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.745 9.635 -9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.083 8.149 -7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -6.797 9.018 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 465 -8.235 10.818 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.616 8.611 -8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.188 9.418 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -10.256 11.842 -6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -11.548 11.237 -7.379 1.00 0.00 H new ATOM 576 N LYS A 466 -3.396 9.018 -7.995 1.00 0.00 N ATOM 577 CA LYS A 466 -2.574 9.692 -6.997 1.00 0.00 C ATOM 578 C LYS A 466 -1.657 8.696 -6.278 1.00 0.00 C ATOM 579 O LYS A 466 -1.980 7.515 -6.165 1.00 0.00 O ATOM 580 CB LYS A 466 -3.462 10.408 -5.975 1.00 0.00 C ATOM 581 CG LYS A 466 -3.850 11.822 -6.378 1.00 0.00 C ATOM 582 CD LYS A 466 -2.680 12.779 -6.239 1.00 0.00 C ATOM 583 CE LYS A 466 -1.814 12.801 -7.491 1.00 0.00 C ATOM 584 NZ LYS A 466 -1.606 14.184 -7.999 1.00 0.00 N ATOM 0 H LYS A 466 -3.501 8.015 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.953 10.426 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.369 9.822 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -2.941 10.444 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -4.203 11.824 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.678 12.165 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.054 13.783 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.072 12.488 -5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.848 12.346 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -2.283 12.196 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -1.011 14.155 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -2.526 14.610 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.135 14.755 -7.268 1.00 0.00 H new ATOM 598 N PRO A 467 -0.493 9.160 -5.785 1.00 0.00 N ATOM 599 CA PRO A 467 0.468 8.300 -5.082 1.00 0.00 C ATOM 600 C PRO A 467 0.002 7.907 -3.683 1.00 0.00 C ATOM 601 O PRO A 467 -1.053 8.344 -3.223 1.00 0.00 O ATOM 602 CB PRO A 467 1.725 9.166 -5.029 1.00 0.00 C ATOM 603 CG PRO A 467 1.202 10.555 -4.993 1.00 0.00 C ATOM 604 CD PRO A 467 -0.016 10.551 -5.874 1.00 0.00 C ATOM 0 HA PRO A 467 0.614 7.345 -5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.327 8.943 -4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.361 9.001 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.949 10.852 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.946 11.264 -5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.768 11.258 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.228 10.828 -6.900 1.00 0.00 H new ATOM 612 N MET A 468 0.787 7.057 -3.021 1.00 0.00 N ATOM 613 CA MET A 468 0.442 6.579 -1.684 1.00 0.00 C ATOM 614 C MET A 468 1.606 5.851 -1.018 1.00 0.00 C ATOM 615 O MET A 468 2.566 5.448 -1.675 1.00 0.00 O ATOM 616 CB MET A 468 -0.745 5.606 -1.752 1.00 0.00 C ATOM 617 CG MET A 468 -0.406 4.268 -2.391 1.00 0.00 C ATOM 618 SD MET A 468 0.438 4.405 -3.978 1.00 0.00 S ATOM 619 CE MET A 468 1.658 3.101 -3.818 1.00 0.00 C ATOM 0 H MET A 468 1.664 6.687 -3.388 1.00 0.00 H new ATOM 0 HA MET A 468 0.187 7.461 -1.096 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.118 5.432 -0.743 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.553 6.073 -2.315 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.222 3.698 -1.706 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.326 3.699 -2.528 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.383 3.180 -4.628 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.170 3.198 -2.861 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.163 2.131 -3.868 1.00 0.00 H new ATOM 629 N THR A 469 1.471 5.641 0.287 1.00 0.00 N ATOM 630 CA THR A 469 2.459 4.907 1.062 1.00 0.00 C ATOM 631 C THR A 469 1.889 3.523 1.370 1.00 0.00 C ATOM 632 O THR A 469 0.671 3.352 1.389 1.00 0.00 O ATOM 633 CB THR A 469 2.789 5.635 2.371 1.00 0.00 C ATOM 634 OG1 THR A 469 1.812 5.360 3.360 1.00 0.00 O ATOM 635 CG2 THR A 469 2.877 7.138 2.224 1.00 0.00 C ATOM 0 H THR A 469 0.677 5.974 0.833 1.00 0.00 H new ATOM 0 HA THR A 469 3.381 4.826 0.487 1.00 0.00 H new ATOM 0 HB THR A 469 3.769 5.259 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.950 5.951 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.113 7.585 3.190 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.659 7.388 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 469 1.922 7.525 1.869 1.00 0.00 H new ATOM 643 N THR A 470 2.745 2.533 1.602 1.00 0.00 N ATOM 644 CA THR A 470 2.258 1.184 1.893 1.00 0.00 C ATOM 645 C THR A 470 1.303 1.189 3.077 1.00 0.00 C ATOM 646 O THR A 470 0.343 0.421 3.117 1.00 0.00 O ATOM 647 CB THR A 470 3.413 0.218 2.145 1.00 0.00 C ATOM 648 OG1 THR A 470 4.620 0.917 2.371 1.00 0.00 O ATOM 649 CG2 THR A 470 3.647 -0.735 0.996 1.00 0.00 C ATOM 0 H THR A 470 3.760 2.632 1.595 1.00 0.00 H new ATOM 0 HA THR A 470 1.713 0.839 1.014 1.00 0.00 H new ATOM 0 HB THR A 470 3.122 -0.354 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.246 0.733 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.480 -1.396 1.235 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.749 -1.330 0.828 1.00 0.00 H new ATOM 0 HG23 THR A 470 3.881 -0.168 0.095 1.00 0.00 H new ATOM 657 N LYS A 471 1.559 2.073 4.024 1.00 0.00 N ATOM 658 CA LYS A 471 0.706 2.194 5.197 1.00 0.00 C ATOM 659 C LYS A 471 -0.638 2.771 4.788 1.00 0.00 C ATOM 660 O LYS A 471 -1.693 2.216 5.096 1.00 0.00 O ATOM 661 CB LYS A 471 1.355 3.098 6.248 1.00 0.00 C ATOM 662 CG LYS A 471 2.830 2.814 6.475 1.00 0.00 C ATOM 663 CD LYS A 471 3.705 3.806 5.728 1.00 0.00 C ATOM 664 CE LYS A 471 5.020 3.183 5.280 1.00 0.00 C ATOM 665 NZ LYS A 471 4.843 1.801 4.754 1.00 0.00 N ATOM 0 H LYS A 471 2.349 2.718 4.006 1.00 0.00 H new ATOM 0 HA LYS A 471 0.566 1.204 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.238 4.138 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.823 2.982 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.052 2.861 7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.062 1.801 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.166 4.181 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.910 4.663 6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.471 3.808 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 471 5.714 3.163 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.289 1.122 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.828 1.588 4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.288 1.727 3.817 1.00 0.00 H new ATOM 679 N ASP A 472 -0.580 3.892 4.085 1.00 0.00 N ATOM 680 CA ASP A 472 -1.782 4.570 3.617 1.00 0.00 C ATOM 681 C ASP A 472 -2.621 3.661 2.722 1.00 0.00 C ATOM 682 O ASP A 472 -3.845 3.780 2.687 1.00 0.00 O ATOM 683 CB ASP A 472 -1.407 5.846 2.862 1.00 0.00 C ATOM 684 CG ASP A 472 -2.621 6.606 2.365 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.357 6.059 1.517 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.836 7.748 2.823 1.00 0.00 O ATOM 0 H ASP A 472 0.291 4.354 3.824 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.381 4.830 4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.821 6.492 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.771 5.589 2.015 1.00 0.00 H new ATOM 691 N LEU A 473 -1.967 2.757 1.991 1.00 0.00 N ATOM 692 CA LEU A 473 -2.685 1.851 1.100 1.00 0.00 C ATOM 693 C LEU A 473 -3.592 0.911 1.882 1.00 0.00 C ATOM 694 O LEU A 473 -4.764 0.744 1.552 1.00 0.00 O ATOM 695 CB LEU A 473 -1.724 1.039 0.241 1.00 0.00 C ATOM 696 CG LEU A 473 -1.053 1.811 -0.882 1.00 0.00 C ATOM 697 CD1 LEU A 473 0.407 1.411 -1.012 1.00 0.00 C ATOM 698 CD2 LEU A 473 -1.795 1.567 -2.188 1.00 0.00 C ATOM 0 H LEU A 473 -0.954 2.635 1.999 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.300 2.469 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.951 0.620 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -2.268 0.199 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.089 2.875 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.868 1.976 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.927 1.625 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.474 0.345 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.311 2.123 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -1.779 0.503 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -2.828 1.901 -2.088 1.00 0.00 H new ATOM 710 N LEU A 474 -3.040 0.299 2.914 1.00 0.00 N ATOM 711 CA LEU A 474 -3.801 -0.626 3.744 1.00 0.00 C ATOM 712 C LEU A 474 -4.672 0.127 4.741 1.00 0.00 C ATOM 713 O LEU A 474 -5.756 -0.331 5.102 1.00 0.00 O ATOM 714 CB LEU A 474 -2.884 -1.600 4.490 1.00 0.00 C ATOM 715 CG LEU A 474 -1.677 -0.957 5.158 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.912 -0.798 6.653 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.418 -1.774 4.895 1.00 0.00 C ATOM 0 H LEU A 474 -2.069 0.423 3.200 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.442 -1.202 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.469 -2.118 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.533 -2.356 3.788 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.536 0.034 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.037 -0.337 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.785 -0.166 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.082 -1.777 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.433 -1.297 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.547 -2.780 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.238 -1.830 3.821 1.00 0.00 H new ATOM 729 N LYS A 475 -4.191 1.283 5.183 1.00 0.00 N ATOM 730 CA LYS A 475 -4.927 2.099 6.139 1.00 0.00 C ATOM 731 C LYS A 475 -6.299 2.487 5.592 1.00 0.00 C ATOM 732 O LYS A 475 -7.233 2.733 6.356 1.00 0.00 O ATOM 733 CB LYS A 475 -4.129 3.355 6.491 1.00 0.00 C ATOM 734 CG LYS A 475 -3.326 3.218 7.775 1.00 0.00 C ATOM 735 CD LYS A 475 -1.838 3.376 7.521 1.00 0.00 C ATOM 736 CE LYS A 475 -1.125 3.971 8.725 1.00 0.00 C ATOM 737 NZ LYS A 475 -0.914 5.438 8.576 1.00 0.00 N ATOM 0 H LYS A 475 -3.295 1.676 4.894 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.075 1.506 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.451 3.588 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -4.814 4.197 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.655 3.969 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.518 2.243 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.404 2.405 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.682 4.016 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.709 3.778 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.162 3.477 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -0.425 5.806 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -0.335 5.622 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -1.834 5.913 8.475 1.00 0.00 H new ATOM 751 N LYS A 476 -6.417 2.549 4.266 1.00 0.00 N ATOM 752 CA LYS A 476 -7.676 2.915 3.631 1.00 0.00 C ATOM 753 C LYS A 476 -8.583 1.700 3.439 1.00 0.00 C ATOM 754 O LYS A 476 -9.785 1.773 3.693 1.00 0.00 O ATOM 755 CB LYS A 476 -7.423 3.608 2.289 1.00 0.00 C ATOM 756 CG LYS A 476 -6.546 2.809 1.337 1.00 0.00 C ATOM 757 CD LYS A 476 -7.016 2.945 -0.103 1.00 0.00 C ATOM 758 CE LYS A 476 -7.554 1.627 -0.636 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.852 1.803 -1.344 1.00 0.00 N ATOM 0 H LYS A 476 -5.657 2.351 3.615 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.188 3.612 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.381 3.804 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -6.955 4.575 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.514 3.151 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.557 1.758 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.792 3.708 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.188 3.281 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.826 1.186 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.683 0.927 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.486 1.013 -1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -9.290 2.699 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.688 1.820 -2.371 1.00 0.00 H new ATOM 773 N PHE A 477 -8.009 0.582 2.998 1.00 0.00 N ATOM 774 CA PHE A 477 -8.775 -0.632 2.789 1.00 0.00 C ATOM 775 C PHE A 477 -9.264 -1.177 4.116 1.00 0.00 C ATOM 776 O PHE A 477 -10.457 -1.159 4.418 1.00 0.00 O ATOM 777 CB PHE A 477 -7.908 -1.677 2.093 1.00 0.00 C ATOM 778 CG PHE A 477 -7.919 -1.576 0.597 1.00 0.00 C ATOM 779 CD1 PHE A 477 -9.097 -1.730 -0.117 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.748 -1.329 -0.096 1.00 0.00 C ATOM 781 CE1 PHE A 477 -9.103 -1.638 -1.495 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.747 -1.236 -1.471 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.925 -1.390 -2.173 1.00 0.00 C ATOM 0 H PHE A 477 -7.016 0.498 2.780 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.636 -0.401 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.882 -1.578 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.250 -2.670 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -10.020 -1.924 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.823 -1.207 0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -10.027 -1.760 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.825 -1.043 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.926 -1.317 -3.251 1.00 0.00 H new ATOM 889 N LEU A 484 -10.577 -8.127 5.915 1.00 0.00 N ATOM 890 CA LEU A 484 -9.210 -8.570 6.111 1.00 0.00 C ATOM 891 C LEU A 484 -8.509 -7.743 7.181 1.00 0.00 C ATOM 892 O LEU A 484 -8.392 -6.523 7.062 1.00 0.00 O ATOM 893 CB LEU A 484 -8.432 -8.498 4.795 1.00 0.00 C ATOM 894 CG LEU A 484 -8.227 -9.843 4.098 1.00 0.00 C ATOM 895 CD1 LEU A 484 -9.525 -10.316 3.466 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.126 -9.739 3.054 1.00 0.00 C ATOM 0 HA LEU A 484 -9.240 -9.606 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.958 -7.828 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.456 -8.053 4.990 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.922 -10.577 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -9.362 -11.275 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -10.286 -10.429 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.860 -9.584 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.993 -10.705 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.401 -8.992 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.194 -9.445 3.536 1.00 0.00 H new ATOM 908 N SER A 485 -8.039 -8.423 8.222 1.00 0.00 N ATOM 909 CA SER A 485 -7.339 -7.775 9.329 1.00 0.00 C ATOM 910 C SER A 485 -6.375 -6.700 8.841 1.00 0.00 C ATOM 911 O SER A 485 -5.853 -6.779 7.728 1.00 0.00 O ATOM 912 CB SER A 485 -6.562 -8.811 10.133 1.00 0.00 C ATOM 913 OG SER A 485 -6.867 -8.722 11.514 1.00 0.00 O ATOM 0 H SER A 485 -8.131 -9.434 8.323 1.00 0.00 H new ATOM 0 HA SER A 485 -8.094 -7.299 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.800 -9.811 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.492 -8.663 9.984 1.00 0.00 H new ATOM 0 HG SER A 485 -6.357 -9.399 12.006 1.00 0.00 H new ATOM 919 N SER A 486 -6.125 -5.708 9.689 1.00 0.00 N ATOM 920 CA SER A 486 -5.203 -4.635 9.347 1.00 0.00 C ATOM 921 C SER A 486 -3.808 -5.200 9.110 1.00 0.00 C ATOM 922 O SER A 486 -2.999 -4.613 8.391 1.00 0.00 O ATOM 923 CB SER A 486 -5.164 -3.587 10.461 1.00 0.00 C ATOM 924 OG SER A 486 -5.279 -4.194 11.737 1.00 0.00 O ATOM 0 H SER A 486 -6.547 -5.626 10.614 1.00 0.00 H new ATOM 0 HA SER A 486 -5.551 -4.156 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.231 -3.026 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 486 -5.975 -2.872 10.321 1.00 0.00 H new ATOM 0 HG SER A 486 -5.250 -3.503 12.432 1.00 0.00 H new ATOM 930 N GLU A 487 -3.541 -6.354 9.716 1.00 0.00 N ATOM 931 CA GLU A 487 -2.258 -7.022 9.576 1.00 0.00 C ATOM 932 C GLU A 487 -2.233 -7.868 8.316 1.00 0.00 C ATOM 933 O GLU A 487 -1.345 -7.730 7.474 1.00 0.00 O ATOM 934 CB GLU A 487 -1.974 -7.896 10.800 1.00 0.00 C ATOM 935 CG GLU A 487 -2.355 -7.244 12.118 1.00 0.00 C ATOM 936 CD GLU A 487 -1.699 -7.912 13.311 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.689 -8.620 13.113 1.00 0.00 O ATOM 938 OE2 GLU A 487 -2.195 -7.727 14.442 1.00 0.00 O ATOM 0 H GLU A 487 -4.205 -6.846 10.313 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.482 -6.260 9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.518 -8.835 10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.913 -8.143 10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.071 -6.192 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.438 -7.279 12.237 1.00 0.00 H new ATOM 945 N GLN A 488 -3.224 -8.735 8.191 1.00 0.00 N ATOM 946 CA GLN A 488 -3.337 -9.607 7.028 1.00 0.00 C ATOM 947 C GLN A 488 -3.459 -8.773 5.761 1.00 0.00 C ATOM 948 O GLN A 488 -2.812 -9.061 4.754 1.00 0.00 O ATOM 949 CB GLN A 488 -4.542 -10.542 7.163 1.00 0.00 C ATOM 950 CG GLN A 488 -4.156 -12.003 7.318 1.00 0.00 C ATOM 951 CD GLN A 488 -5.329 -12.875 7.723 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.229 -13.676 8.652 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.449 -12.722 7.025 1.00 0.00 N ATOM 0 H GLN A 488 -3.965 -8.856 8.881 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.436 -10.218 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.135 -10.237 8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.178 -10.433 6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.744 -12.368 6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.368 -12.090 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.486 -12.045 6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.272 -13.281 7.252 1.00 0.00 H new ATOM 962 N THR A 489 -4.279 -7.723 5.823 1.00 0.00 N ATOM 963 CA THR A 489 -4.465 -6.833 4.683 1.00 0.00 C ATOM 964 C THR A 489 -3.110 -6.443 4.110 1.00 0.00 C ATOM 965 O THR A 489 -2.960 -6.249 2.905 1.00 0.00 O ATOM 966 CB THR A 489 -5.243 -5.581 5.100 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.555 -5.920 5.513 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.360 -4.548 3.998 1.00 0.00 C ATOM 0 H THR A 489 -4.822 -7.471 6.649 1.00 0.00 H new ATOM 0 HA THR A 489 -5.040 -7.356 3.919 1.00 0.00 H new ATOM 0 HB THR A 489 -4.670 -5.147 5.919 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.572 -6.037 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.923 -3.689 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.364 -4.227 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.878 -4.984 3.144 1.00 0.00 H new ATOM 976 N VAL A 490 -2.120 -6.355 4.992 1.00 0.00 N ATOM 977 CA VAL A 490 -0.759 -6.015 4.591 1.00 0.00 C ATOM 978 C VAL A 490 -0.098 -7.210 3.929 1.00 0.00 C ATOM 979 O VAL A 490 0.528 -7.093 2.877 1.00 0.00 O ATOM 980 CB VAL A 490 0.088 -5.585 5.799 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.351 -4.871 5.344 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.727 -4.706 6.730 1.00 0.00 C ATOM 0 H VAL A 490 -2.235 -6.515 5.993 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.820 -5.183 3.889 1.00 0.00 H new ATOM 0 HB VAL A 490 0.387 -6.478 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.936 -4.575 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.943 -5.541 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.081 -3.984 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.113 -4.410 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.058 -3.817 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.596 -5.260 7.085 1.00 0.00 H new ATOM 992 N ASN A 491 -0.263 -8.369 4.555 1.00 0.00 N ATOM 993 CA ASN A 491 0.291 -9.613 4.041 1.00 0.00 C ATOM 994 C ASN A 491 -0.209 -9.863 2.618 1.00 0.00 C ATOM 995 O ASN A 491 0.460 -10.514 1.816 1.00 0.00 O ATOM 996 CB ASN A 491 -0.104 -10.763 4.976 1.00 0.00 C ATOM 997 CG ASN A 491 -0.129 -12.117 4.291 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.893 -12.601 3.803 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.305 -12.733 4.252 1.00 0.00 N ATOM 0 H ASN A 491 -0.781 -8.472 5.427 1.00 0.00 H new ATOM 0 HA ASN A 491 1.378 -9.547 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.596 -10.799 5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.089 -10.558 5.395 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.388 -13.646 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.125 -12.293 4.670 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.388 -9.329 2.318 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.992 -9.473 1.001 1.00 0.00 C ATOM 1008 C VAL A 492 -1.820 -8.199 0.175 1.00 0.00 C ATOM 1009 O VAL A 492 -2.057 -8.192 -1.028 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.493 -9.800 1.119 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.218 -8.690 1.865 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.109 -10.024 -0.254 1.00 0.00 C ATOM 0 H VAL A 492 -1.948 -8.788 2.977 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.482 -10.295 0.498 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.601 -10.724 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.278 -8.934 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.797 -8.588 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.100 -7.751 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.169 -10.253 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.993 -9.123 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.607 -10.857 -0.747 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.415 -7.116 0.829 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.223 -5.848 0.150 1.00 0.00 C ATOM 1024 C LEU A 493 0.199 -5.726 -0.382 1.00 0.00 C ATOM 1025 O LEU A 493 0.416 -5.251 -1.496 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.528 -4.688 1.104 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.282 -3.287 0.537 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.819 -3.169 -0.880 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.917 -2.236 1.433 1.00 0.00 C ATOM 0 H LEU A 493 -1.214 -7.095 1.829 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.910 -5.806 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.571 -4.758 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.922 -4.809 2.002 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.206 -3.118 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.631 -2.164 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.320 -3.897 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.892 -3.362 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.734 -1.245 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.991 -2.411 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.482 -2.297 2.430 1.00 0.00 H new ATOM 1041 N ALA A 494 1.167 -6.160 0.419 1.00 0.00 N ATOM 1042 CA ALA A 494 2.567 -6.097 0.021 1.00 0.00 C ATOM 1043 C ALA A 494 2.784 -6.780 -1.323 1.00 0.00 C ATOM 1044 O ALA A 494 3.531 -6.294 -2.160 1.00 0.00 O ATOM 1045 CB ALA A 494 3.454 -6.734 1.082 1.00 0.00 C ATOM 0 H ALA A 494 1.007 -6.558 1.345 1.00 0.00 H new ATOM 0 HA ALA A 494 2.839 -5.046 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.496 -6.677 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.331 -6.203 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.171 -7.778 1.214 1.00 0.00 H new ATOM 1051 N GLN A 495 2.131 -7.914 -1.521 1.00 0.00 N ATOM 1052 CA GLN A 495 2.266 -8.662 -2.755 1.00 0.00 C ATOM 1053 C GLN A 495 1.897 -7.824 -3.978 1.00 0.00 C ATOM 1054 O GLN A 495 2.544 -7.915 -5.021 1.00 0.00 O ATOM 1055 CB GLN A 495 1.384 -9.901 -2.698 1.00 0.00 C ATOM 1056 CG GLN A 495 -0.019 -9.620 -2.210 1.00 0.00 C ATOM 1057 CD GLN A 495 -1.066 -9.837 -3.289 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.741 -10.175 -4.426 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.330 -9.641 -2.936 1.00 0.00 N ATOM 0 H GLN A 495 1.501 -8.336 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 495 3.313 -8.949 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.332 -10.347 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 495 1.848 -10.638 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -0.240 -10.265 -1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -0.077 -8.591 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.555 -9.361 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -3.076 -9.770 -3.619 1.00 0.00 H new ATOM 1068 N ILE A 496 0.832 -7.045 -3.854 1.00 0.00 N ATOM 1069 CA ILE A 496 0.344 -6.228 -4.959 1.00 0.00 C ATOM 1070 C ILE A 496 1.127 -4.921 -5.165 1.00 0.00 C ATOM 1071 O ILE A 496 1.214 -4.420 -6.286 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.146 -5.889 -4.761 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -2.008 -7.123 -5.028 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.558 -4.746 -5.671 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.224 -7.216 -4.133 1.00 0.00 C ATOM 0 H ILE A 496 0.287 -6.961 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 496 0.490 -6.834 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.297 -5.575 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.333 -7.111 -6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.399 -8.017 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.613 -4.521 -5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.961 -3.864 -5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.396 -5.032 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.788 -8.116 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.906 -7.260 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.854 -6.340 -4.284 1.00 0.00 H new ATOM 1087 N LEU A 497 1.654 -4.352 -4.094 1.00 0.00 N ATOM 1088 CA LEU A 497 2.380 -3.087 -4.184 1.00 0.00 C ATOM 1089 C LEU A 497 3.469 -3.094 -5.264 1.00 0.00 C ATOM 1090 O LEU A 497 3.558 -2.166 -6.067 1.00 0.00 O ATOM 1091 CB LEU A 497 2.995 -2.747 -2.828 1.00 0.00 C ATOM 1092 CG LEU A 497 2.223 -1.717 -2.001 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.960 -0.450 -2.805 1.00 0.00 C ATOM 1094 CD2 LEU A 497 0.921 -2.315 -1.503 1.00 0.00 C ATOM 0 H LEU A 497 1.596 -4.741 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 497 1.656 -2.325 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 497 3.082 -3.665 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.007 -2.375 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 497 2.835 -1.443 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.410 0.263 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.909 -0.009 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.373 -0.696 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.381 -1.572 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.311 -2.619 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.134 -3.184 -0.881 1.00 0.00 H new ATOM 1106 N LYS A 498 4.321 -4.114 -5.253 1.00 0.00 N ATOM 1107 CA LYS A 498 5.428 -4.199 -6.209 1.00 0.00 C ATOM 1108 C LYS A 498 4.968 -4.462 -7.639 1.00 0.00 C ATOM 1109 O LYS A 498 5.671 -4.116 -8.589 1.00 0.00 O ATOM 1110 CB LYS A 498 6.453 -5.252 -5.779 1.00 0.00 C ATOM 1111 CG LYS A 498 5.887 -6.656 -5.620 1.00 0.00 C ATOM 1112 CD LYS A 498 5.207 -6.869 -4.271 1.00 0.00 C ATOM 1113 CE LYS A 498 6.002 -6.263 -3.111 1.00 0.00 C ATOM 1114 NZ LYS A 498 5.430 -4.970 -2.647 1.00 0.00 N ATOM 0 H LYS A 498 4.270 -4.893 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 498 5.902 -3.218 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.257 -5.279 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.897 -4.943 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 498 5.169 -6.846 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.691 -7.382 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.212 -6.426 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 498 5.076 -7.937 -4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 498 6.022 -6.968 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 498 7.035 -6.109 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 5.792 -4.751 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.704 -4.213 -3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 4.393 -5.041 -2.614 1.00 0.00 H new ATOM 1128 N ARG A 499 3.794 -5.055 -7.804 1.00 0.00 N ATOM 1129 CA ARG A 499 3.281 -5.324 -9.149 1.00 0.00 C ATOM 1130 C ARG A 499 3.081 -4.017 -9.908 1.00 0.00 C ATOM 1131 O ARG A 499 2.989 -4.003 -11.136 1.00 0.00 O ATOM 1132 CB ARG A 499 1.951 -6.091 -9.114 1.00 0.00 C ATOM 1133 CG ARG A 499 1.759 -6.969 -7.892 1.00 0.00 C ATOM 1134 CD ARG A 499 2.830 -8.037 -7.791 1.00 0.00 C ATOM 1135 NE ARG A 499 3.071 -8.699 -9.071 1.00 0.00 N ATOM 1136 CZ ARG A 499 2.322 -9.692 -9.547 1.00 0.00 C ATOM 1137 NH1 ARG A 499 1.281 -10.139 -8.854 1.00 0.00 N ATOM 1138 NH2 ARG A 499 2.613 -10.240 -10.718 1.00 0.00 N ATOM 0 H ARG A 499 3.185 -5.356 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 499 4.021 -5.943 -9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.132 -5.374 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.882 -6.713 -10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 499 1.776 -6.351 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.778 -7.441 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.757 -7.587 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.532 -8.779 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 499 3.860 -8.382 -9.634 1.00 0.00 H new ATOM 0 HH11 ARG A 499 1.051 -9.721 -7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 499 0.711 -10.900 -9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 499 3.411 -9.901 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 499 2.039 -11.001 -11.082 1.00 0.00 H new ATOM 1152 N LEU A 500 2.996 -2.921 -9.160 1.00 0.00 N ATOM 1153 CA LEU A 500 2.786 -1.603 -9.737 1.00 0.00 C ATOM 1154 C LEU A 500 3.966 -1.149 -10.580 1.00 0.00 C ATOM 1155 O LEU A 500 3.795 -0.662 -11.697 1.00 0.00 O ATOM 1156 CB LEU A 500 2.532 -0.592 -8.623 1.00 0.00 C ATOM 1157 CG LEU A 500 1.475 -1.016 -7.600 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.482 -0.082 -6.401 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.100 -1.055 -8.246 1.00 0.00 C ATOM 0 H LEU A 500 3.071 -2.924 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 500 1.919 -1.666 -10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.470 -0.406 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.225 0.353 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 500 1.718 -2.018 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.723 -0.401 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.462 -0.108 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.265 0.934 -6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.641 -1.358 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.151 -0.065 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.105 -1.770 -9.069 1.00 0.00 H new ATOM 1171 N ASN A 501 5.160 -1.293 -10.031 1.00 0.00 N ATOM 1172 CA ASN A 501 6.368 -0.876 -10.722 1.00 0.00 C ATOM 1173 C ASN A 501 6.266 0.606 -11.081 1.00 0.00 C ATOM 1174 O ASN A 501 6.323 0.982 -12.251 1.00 0.00 O ATOM 1175 CB ASN A 501 6.571 -1.729 -11.975 1.00 0.00 C ATOM 1176 CG ASN A 501 7.741 -1.272 -12.819 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.586 -0.478 -13.746 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.922 -1.784 -12.502 1.00 0.00 N ATOM 0 H ASN A 501 5.319 -1.696 -9.108 1.00 0.00 H new ATOM 0 HA ASN A 501 7.230 -1.017 -10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.727 -2.767 -11.680 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.663 -1.702 -12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.751 -1.523 -13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 501 9.002 -2.439 -11.724 1.00 0.00 H new ATOM 1185 N PRO A 502 6.103 1.467 -10.061 1.00 0.00 N ATOM 1186 CA PRO A 502 5.980 2.897 -10.225 1.00 0.00 C ATOM 1187 C PRO A 502 7.286 3.607 -9.911 1.00 0.00 C ATOM 1188 O PRO A 502 8.357 3.002 -9.947 1.00 0.00 O ATOM 1189 CB PRO A 502 4.919 3.226 -9.174 1.00 0.00 C ATOM 1190 CG PRO A 502 5.128 2.220 -8.079 1.00 0.00 C ATOM 1191 CD PRO A 502 6.018 1.130 -8.638 1.00 0.00 C ATOM 0 HA PRO A 502 5.727 3.206 -11.239 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.035 4.244 -8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.915 3.152 -9.591 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.591 2.687 -7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.175 1.807 -7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 502 7.000 1.129 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.589 0.140 -8.483 1.00 0.00 H new ATOM 1199 N GLU A 503 7.191 4.885 -9.588 1.00 0.00 N ATOM 1200 CA GLU A 503 8.356 5.667 -9.251 1.00 0.00 C ATOM 1201 C GLU A 503 8.216 6.234 -7.847 1.00 0.00 C ATOM 1202 O GLU A 503 7.131 6.656 -7.444 1.00 0.00 O ATOM 1203 CB GLU A 503 8.549 6.783 -10.269 1.00 0.00 C ATOM 1204 CG GLU A 503 9.690 6.521 -11.236 1.00 0.00 C ATOM 1205 CD GLU A 503 10.892 7.407 -10.975 1.00 0.00 C ATOM 1206 OE1 GLU A 503 10.844 8.598 -11.349 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.881 6.911 -10.396 1.00 0.00 O ATOM 0 H GLU A 503 6.312 5.401 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 503 9.236 5.025 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.626 6.914 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.736 7.718 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.991 5.476 -11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.341 6.681 -12.256 1.00 0.00 H new ATOM 1214 N ARG A 504 9.307 6.225 -7.097 1.00 0.00 N ATOM 1215 CA ARG A 504 9.283 6.723 -5.732 1.00 0.00 C ATOM 1216 C ARG A 504 9.352 8.244 -5.692 1.00 0.00 C ATOM 1217 O ARG A 504 10.142 8.867 -6.403 1.00 0.00 O ATOM 1218 CB ARG A 504 10.429 6.120 -4.924 1.00 0.00 C ATOM 1219 CG ARG A 504 11.809 6.491 -5.449 1.00 0.00 C ATOM 1220 CD ARG A 504 12.730 6.940 -4.327 1.00 0.00 C ATOM 1221 NE ARG A 504 13.666 7.973 -4.768 1.00 0.00 N ATOM 1222 CZ ARG A 504 13.341 9.257 -4.905 1.00 0.00 C ATOM 1223 NH1 ARG A 504 12.109 9.670 -4.636 1.00 0.00 N ATOM 1224 NH2 ARG A 504 14.252 10.130 -5.313 1.00 0.00 N ATOM 0 H ARG A 504 10.215 5.880 -7.409 1.00 0.00 H new ATOM 0 HA ARG A 504 8.336 6.419 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.344 6.448 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.330 5.035 -4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.247 5.634 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.717 7.288 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.133 7.321 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.287 6.082 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 504 14.623 7.694 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.404 9.002 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 504 11.867 10.655 -4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 504 15.200 9.818 -5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 504 14.004 11.114 -5.418 1.00 0.00 H new ATOM 1238 N LYS A 505 8.513 8.828 -4.849 1.00 0.00 N ATOM 1239 CA LYS A 505 8.448 10.275 -4.685 1.00 0.00 C ATOM 1240 C LYS A 505 7.911 10.612 -3.300 1.00 0.00 C ATOM 1241 O LYS A 505 7.281 9.775 -2.657 1.00 0.00 O ATOM 1242 CB LYS A 505 7.553 10.906 -5.758 1.00 0.00 C ATOM 1243 CG LYS A 505 7.626 10.211 -7.109 1.00 0.00 C ATOM 1244 CD LYS A 505 6.657 10.827 -8.106 1.00 0.00 C ATOM 1245 CE LYS A 505 5.215 10.497 -7.758 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.303 11.645 -8.019 1.00 0.00 N ATOM 0 H LYS A 505 7.858 8.314 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 505 9.454 10.681 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.520 10.893 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.834 11.952 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.642 10.277 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.400 9.152 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.790 11.909 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.883 10.462 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.889 9.635 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.151 10.214 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.329 11.379 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.598 12.460 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.344 11.899 -9.027 1.00 0.00 H new ATOM 1260 N MET A 506 8.162 11.830 -2.836 1.00 0.00 N ATOM 1261 CA MET A 506 7.694 12.238 -1.518 1.00 0.00 C ATOM 1262 C MET A 506 6.497 13.177 -1.611 1.00 0.00 C ATOM 1263 O MET A 506 6.633 14.339 -1.996 1.00 0.00 O ATOM 1264 CB MET A 506 8.819 12.908 -0.729 1.00 0.00 C ATOM 1265 CG MET A 506 9.542 14.002 -1.496 1.00 0.00 C ATOM 1266 SD MET A 506 10.125 15.333 -0.426 1.00 0.00 S ATOM 1267 CE MET A 506 10.569 14.422 1.053 1.00 0.00 C ATOM 0 H MET A 506 8.681 12.545 -3.346 1.00 0.00 H new ATOM 0 HA MET A 506 7.377 11.336 -0.994 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.405 13.332 0.186 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.542 12.149 -0.430 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.391 13.569 -2.026 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.872 14.415 -2.250 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.184 15.051 1.697 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.664 14.131 1.587 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.129 13.529 0.776 1.00 0.00 H new ATOM 1277 N ILE A 507 5.329 12.670 -1.234 1.00 0.00 N ATOM 1278 CA ILE A 507 4.107 13.462 -1.250 1.00 0.00 C ATOM 1279 C ILE A 507 3.909 14.147 0.100 1.00 0.00 C ATOM 1280 O ILE A 507 3.633 13.490 1.105 1.00 0.00 O ATOM 1281 CB ILE A 507 2.863 12.592 -1.577 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.815 12.189 -3.063 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.586 13.332 -1.206 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.763 12.963 -3.954 1.00 0.00 C ATOM 0 H ILE A 507 5.203 11.710 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 507 4.212 14.212 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 507 2.943 11.681 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.044 11.127 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.798 12.325 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.723 12.709 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.592 13.556 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.527 14.262 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.663 12.614 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.522 14.025 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.788 12.808 -3.617 1.00 0.00 H new ATOM 1296 N ASN A 508 4.050 15.467 0.117 1.00 0.00 N ATOM 1297 CA ASN A 508 3.885 16.238 1.344 1.00 0.00 C ATOM 1298 C ASN A 508 4.868 15.778 2.417 1.00 0.00 C ATOM 1299 O ASN A 508 4.502 15.614 3.581 1.00 0.00 O ATOM 1300 CB ASN A 508 2.450 16.110 1.861 1.00 0.00 C ATOM 1301 CG ASN A 508 1.940 17.398 2.477 1.00 0.00 C ATOM 1302 OD1 ASN A 508 2.710 18.183 3.029 1.00 0.00 O ATOM 1303 ND2 ASN A 508 0.634 17.621 2.385 1.00 0.00 N ATOM 0 H ASN A 508 4.278 16.026 -0.705 1.00 0.00 H new ATOM 0 HA ASN A 508 4.091 17.284 1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.795 15.819 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.404 15.313 2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 508 0.233 18.471 2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 508 0.032 16.942 1.918 1.00 0.00 H new ATOM 1310 N ASP A 509 6.121 15.571 2.018 1.00 0.00 N ATOM 1311 CA ASP A 509 7.163 15.131 2.943 1.00 0.00 C ATOM 1312 C ASP A 509 7.002 13.655 3.306 1.00 0.00 C ATOM 1313 O ASP A 509 7.701 13.146 4.182 1.00 0.00 O ATOM 1314 CB ASP A 509 7.147 15.984 4.216 1.00 0.00 C ATOM 1315 CG ASP A 509 8.541 16.264 4.741 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.155 15.343 5.320 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.021 17.406 4.574 1.00 0.00 O ATOM 0 H ASP A 509 6.440 15.701 1.058 1.00 0.00 H new ATOM 0 HA ASP A 509 8.122 15.256 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.642 16.928 4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.568 15.473 4.985 1.00 0.00 H new ATOM 1322 N LYS A 510 6.085 12.969 2.627 1.00 0.00 N ATOM 1323 CA LYS A 510 5.850 11.553 2.883 1.00 0.00 C ATOM 1324 C LYS A 510 6.257 10.714 1.683 1.00 0.00 C ATOM 1325 O LYS A 510 5.875 11.010 0.553 1.00 0.00 O ATOM 1326 CB LYS A 510 4.377 11.301 3.206 1.00 0.00 C ATOM 1327 CG LYS A 510 4.138 9.979 3.916 1.00 0.00 C ATOM 1328 CD LYS A 510 4.153 10.143 5.428 1.00 0.00 C ATOM 1329 CE LYS A 510 5.467 10.733 5.914 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.502 10.866 7.397 1.00 0.00 N ATOM 0 H LYS A 510 5.495 13.371 1.898 1.00 0.00 H new ATOM 0 HA LYS A 510 6.458 11.264 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.004 12.114 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.801 11.319 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.179 9.566 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 510 4.904 9.263 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.329 10.788 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 510 3.991 9.174 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.292 10.100 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.616 11.712 5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.414 11.272 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.730 11.490 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.386 9.929 7.832 1.00 0.00 H new ATOM 1344 N MET A 511 7.034 9.665 1.924 1.00 0.00 N ATOM 1345 CA MET A 511 7.481 8.800 0.842 1.00 0.00 C ATOM 1346 C MET A 511 6.310 8.029 0.239 1.00 0.00 C ATOM 1347 O MET A 511 5.772 7.108 0.854 1.00 0.00 O ATOM 1348 CB MET A 511 8.543 7.822 1.350 1.00 0.00 C ATOM 1349 CG MET A 511 9.133 6.945 0.259 1.00 0.00 C ATOM 1350 SD MET A 511 10.513 7.731 -0.594 1.00 0.00 S ATOM 1351 CE MET A 511 9.670 8.479 -1.986 1.00 0.00 C ATOM 0 H MET A 511 7.365 9.395 2.850 1.00 0.00 H new ATOM 0 HA MET A 511 7.916 9.428 0.065 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.346 8.385 1.826 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.102 7.186 2.117 1.00 0.00 H new ATOM 0 HG2 MET A 511 9.469 6.005 0.696 1.00 0.00 H new ATOM 0 HG3 MET A 511 8.356 6.700 -0.465 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.316 8.446 -2.863 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.751 7.931 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.430 9.516 -1.751 1.00 0.00 H new ATOM 1361 N HIS A 512 5.935 8.407 -0.978 1.00 0.00 N ATOM 1362 CA HIS A 512 4.847 7.763 -1.693 1.00 0.00 C ATOM 1363 C HIS A 512 5.333 7.217 -3.034 1.00 0.00 C ATOM 1364 O HIS A 512 6.084 7.880 -3.749 1.00 0.00 O ATOM 1365 CB HIS A 512 3.706 8.749 -1.957 1.00 0.00 C ATOM 1366 CG HIS A 512 2.925 9.152 -0.746 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.557 9.323 -0.765 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.320 9.438 0.515 1.00 0.00 C ATOM 1369 CE1 HIS A 512 1.146 9.700 0.431 1.00 0.00 C ATOM 1370 NE2 HIS A 512 2.194 9.778 1.227 1.00 0.00 N ATOM 0 H HIS A 512 6.378 9.168 -1.493 1.00 0.00 H new ATOM 0 HA HIS A 512 4.487 6.946 -1.068 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.120 9.645 -2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.022 8.305 -2.680 1.00 0.00 H new ATOM 0 HD1 HIS A 512 0.956 9.180 -1.577 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.331 9.405 0.893 1.00 0.00 H new ATOM 0 HE1 HIS A 512 0.124 9.909 0.710 1.00 0.00 H new ATOM 1379 N PHE A 513 4.886 6.017 -3.377 1.00 0.00 N ATOM 1380 CA PHE A 513 5.251 5.389 -4.635 1.00 0.00 C ATOM 1381 C PHE A 513 4.071 5.452 -5.602 1.00 0.00 C ATOM 1382 O PHE A 513 2.941 5.164 -5.217 1.00 0.00 O ATOM 1383 CB PHE A 513 5.671 3.938 -4.388 1.00 0.00 C ATOM 1384 CG PHE A 513 5.620 3.527 -2.941 1.00 0.00 C ATOM 1385 CD1 PHE A 513 6.575 3.985 -2.047 1.00 0.00 C ATOM 1386 CD2 PHE A 513 4.614 2.699 -2.474 1.00 0.00 C ATOM 1387 CE1 PHE A 513 6.529 3.619 -0.715 1.00 0.00 C ATOM 1388 CE2 PHE A 513 4.561 2.331 -1.142 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.520 2.792 -0.262 1.00 0.00 C ATOM 0 H PHE A 513 4.264 5.456 -2.794 1.00 0.00 H new ATOM 0 HA PHE A 513 6.093 5.922 -5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.023 3.279 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.685 3.795 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.364 4.635 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.861 2.336 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.281 3.979 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 513 3.771 1.684 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.481 2.506 0.779 1.00 0.00 H new ATOM 1399 N SER A 514 4.320 5.852 -6.848 1.00 0.00 N ATOM 1400 CA SER A 514 3.238 5.960 -7.823 1.00 0.00 C ATOM 1401 C SER A 514 3.732 6.359 -9.209 1.00 0.00 C ATOM 1402 O SER A 514 4.878 6.771 -9.386 1.00 0.00 O ATOM 1403 CB SER A 514 2.213 6.986 -7.347 1.00 0.00 C ATOM 1404 OG SER A 514 0.896 6.550 -7.620 1.00 0.00 O ATOM 0 H SER A 514 5.244 6.102 -7.201 1.00 0.00 H new ATOM 0 HA SER A 514 2.786 4.972 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.330 7.153 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.393 7.941 -7.840 1.00 0.00 H new ATOM 0 HG SER A 514 0.498 7.122 -8.310 1.00 0.00 H new ATOM 1410 N LEU A 515 2.828 6.254 -10.179 1.00 0.00 N ATOM 1411 CA LEU A 515 3.111 6.619 -11.551 1.00 0.00 C ATOM 1412 C LEU A 515 2.015 7.541 -12.059 1.00 0.00 C ATOM 1413 O LEU A 515 0.981 7.695 -11.408 1.00 0.00 O ATOM 1414 CB LEU A 515 3.225 5.390 -12.458 1.00 0.00 C ATOM 1415 CG LEU A 515 2.002 4.477 -12.458 1.00 0.00 C ATOM 1416 CD1 LEU A 515 2.003 3.563 -13.673 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.972 3.667 -11.183 1.00 0.00 C ATOM 0 H LEU A 515 1.879 5.912 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 515 4.073 7.131 -11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.410 5.725 -13.478 1.00 0.00 H new ATOM 0 HB3 LEU A 515 4.094 4.809 -12.151 1.00 0.00 H new ATOM 0 HG LEU A 515 1.106 5.095 -12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 515 1.121 2.923 -13.648 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.989 4.165 -14.581 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.900 2.944 -13.662 1.00 0.00 H new ATOM 0 HD21 LEU A 515 1.098 3.016 -11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.875 3.061 -11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.921 4.339 -10.326 1.00 0.00 H new ATOM 1429 N LYS A 516 2.226 8.152 -13.214 1.00 0.00 N ATOM 1430 CA LYS A 516 1.228 9.046 -13.773 1.00 0.00 C ATOM 1431 C LYS A 516 0.988 8.759 -15.248 1.00 0.00 C ATOM 1432 O LYS A 516 1.818 9.079 -16.100 1.00 0.00 O ATOM 1433 CB LYS A 516 1.614 10.511 -13.567 1.00 0.00 C ATOM 1434 CG LYS A 516 2.886 10.698 -12.769 1.00 0.00 C ATOM 1435 CD LYS A 516 4.094 10.261 -13.571 1.00 0.00 C ATOM 1436 CE LYS A 516 5.162 9.640 -12.684 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.520 9.762 -13.281 1.00 0.00 N ATOM 0 H LYS A 516 3.070 8.046 -13.777 1.00 0.00 H new ATOM 0 HA LYS A 516 0.296 8.863 -13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.733 10.987 -14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.798 11.025 -13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.992 11.745 -12.485 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.829 10.122 -11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.787 9.541 -14.329 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.512 11.119 -14.097 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.150 10.125 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.931 8.587 -12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.219 9.327 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.539 9.278 -14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.752 10.767 -13.414 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.158 8.153 -15.542 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.519 7.820 -16.905 1.00 0.00 C ATOM 1453 C GLU A 517 -1.155 9.016 -17.605 1.00 0.00 C ATOM 1454 O GLU A 517 -0.715 9.348 -18.726 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.491 6.634 -16.908 1.00 0.00 C ATOM 1456 CG GLU A 517 -0.830 5.261 -16.797 1.00 0.00 C ATOM 1457 CD GLU A 517 0.438 5.142 -17.624 1.00 0.00 C ATOM 1458 OE1 GLU A 517 1.524 5.453 -17.091 1.00 0.00 O ATOM 1459 OE2 GLU A 517 0.343 4.737 -18.801 1.00 0.00 O ATOM 1460 OXT GLU A 517 -2.088 9.612 -17.026 1.00 0.00 O ATOM 0 H GLU A 517 -0.853 7.883 -14.846 1.00 0.00 H new ATOM 0 HA GLU A 517 0.387 7.548 -17.447 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.189 6.753 -16.080 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.077 6.666 -17.826 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -0.595 5.061 -15.752 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -1.538 4.496 -17.116 1.00 0.00 H new