USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 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 130:sc= 0.247 USER MOD Set 1.2: A 471 LYS NZ :NH3+ 152:sc= 0.108 (180deg=-0.209) USER MOD Set 2.1: A 462 TYR OH : rot 161:sc= 0.716! USER MOD Set 2.2: A 476 LYS NZ :NH3+ -117:sc= 1.48 (180deg=0.503) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -79:sc= -0.0353 USER MOD Single : A 466 LYS NZ :NH3+ -154:sc= -0.0159 (180deg=-0.917) USER MOD Single : A 468 MET CE :methyl 141:sc= -7.86! (180deg=-11.3!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 475 LYS NZ :NH3+ 142:sc= -0.465 (180deg=-0.961) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0.00987 USER MOD Single : A 488 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 100:sc= -0.426 USER MOD Single : A 491 ASN : amide:sc=-0.00382 X(o=-0.0038,f=0) USER MOD Single : A 495 GLN : amide:sc= -5.57! C(o=-5.6!,f=-7.2!) USER MOD Single : A 498 LYS NZ :NH3+ 167:sc= -3! (180deg=-3.61!) USER MOD Single : A 501 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.8!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 164:sc= -1.38 (180deg=-1.66!) USER MOD Single : A 508 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.1!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 172:sc= -2.44! (180deg=-2.92) USER MOD Single : A 512 HIS : no HD1:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 514 SER OG : rot 118:sc= -6.49! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -2.39 F(o=-4.6,f=-2.4) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 2.470 -2.264 13.158 1.00 0.00 N ATOM 75 CA ASP B 587 3.256 -1.411 12.279 1.00 0.00 C ATOM 76 C ASP B 587 4.534 -2.108 11.818 1.00 0.00 C ATOM 77 O ASP B 587 5.105 -1.756 10.786 1.00 0.00 O ATOM 78 CB ASP B 587 3.584 -0.095 12.993 1.00 0.00 C ATOM 79 CG ASP B 587 4.728 -0.229 13.982 1.00 0.00 C ATOM 80 OD1 ASP B 587 5.886 -0.368 13.534 1.00 0.00 O ATOM 81 OD2 ASP B 587 4.467 -0.194 15.202 1.00 0.00 O ATOM 0 HA ASP B 587 2.664 -1.198 11.389 1.00 0.00 H new ATOM 0 HB2 ASP B 587 3.839 0.662 12.251 1.00 0.00 H new ATOM 0 HB3 ASP B 587 2.696 0.259 13.517 1.00 0.00 H new ATOM 86 N ASP B 588 4.975 -3.098 12.586 1.00 0.00 N ATOM 87 CA ASP B 588 6.181 -3.845 12.254 1.00 0.00 C ATOM 88 C ASP B 588 6.121 -4.386 10.833 1.00 0.00 C ATOM 89 O ASP B 588 7.083 -4.280 10.073 1.00 0.00 O ATOM 90 CB ASP B 588 6.380 -4.985 13.239 1.00 0.00 C ATOM 91 CG ASP B 588 7.820 -5.455 13.303 1.00 0.00 C ATOM 92 OD1 ASP B 588 8.408 -5.713 12.232 1.00 0.00 O ATOM 93 OD2 ASP B 588 8.360 -5.563 14.424 1.00 0.00 O ATOM 0 H ASP B 588 4.514 -3.402 13.444 1.00 0.00 H new ATOM 0 HA ASP B 588 7.028 -3.163 12.321 1.00 0.00 H new ATOM 0 HB2 ASP B 588 6.062 -4.663 14.231 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.741 -5.821 12.955 1.00 0.00 H new ATOM 98 N HIS B 589 4.983 -4.963 10.485 1.00 0.00 N ATOM 99 CA HIS B 589 4.776 -5.523 9.165 1.00 0.00 C ATOM 100 C HIS B 589 4.436 -4.432 8.153 1.00 0.00 C ATOM 101 O HIS B 589 4.638 -4.602 6.952 1.00 0.00 O ATOM 102 CB HIS B 589 3.657 -6.558 9.218 1.00 0.00 C ATOM 103 CG HIS B 589 2.373 -6.040 9.790 1.00 0.00 C ATOM 104 ND1 HIS B 589 1.612 -4.972 9.445 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 1.720 -6.648 10.842 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 0.526 -4.960 10.285 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 0.614 -5.979 11.118 1.00 0.00 N flip ATOM 0 H HIS B 589 4.181 -5.055 11.109 1.00 0.00 H new ATOM 0 HA HIS B 589 5.700 -6.003 8.844 1.00 0.00 H new ATOM 0 HB2 HIS B 589 3.470 -6.928 8.210 1.00 0.00 H new ATOM 0 HB3 HIS B 589 3.991 -7.408 9.813 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.060 -7.533 11.360 1.00 0.00 H new ATOM 0 HE1 HIS B 589 -0.272 -4.233 10.267 1.00 0.00 H new ATOM 0 HE2 HIS B 589 -0.057 -6.211 11.850 1.00 0.00 H new ATOM 116 N LEU B 590 3.919 -3.316 8.649 1.00 0.00 N ATOM 117 CA LEU B 590 3.550 -2.197 7.792 1.00 0.00 C ATOM 118 C LEU B 590 4.789 -1.552 7.180 1.00 0.00 C ATOM 119 O LEU B 590 4.783 -1.144 6.021 1.00 0.00 O ATOM 120 CB LEU B 590 2.755 -1.161 8.589 1.00 0.00 C ATOM 121 CG LEU B 590 2.479 0.149 7.852 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.439 -0.057 6.759 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.026 1.219 8.834 1.00 0.00 C ATOM 0 H LEU B 590 3.745 -3.161 9.642 1.00 0.00 H new ATOM 0 HA LEU B 590 2.926 -2.577 6.983 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.803 -1.603 8.882 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.298 -0.936 9.507 1.00 0.00 H new ATOM 0 HG LEU B 590 3.402 0.483 7.379 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.257 0.888 6.247 1.00 0.00 H new ATOM 0 HD12 LEU B 590 1.804 -0.793 6.043 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.510 -0.413 7.203 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.833 2.147 8.297 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.114 0.892 9.333 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.806 1.385 9.576 1.00 0.00 H new ATOM 135 N ILE B 591 5.848 -1.454 7.969 1.00 0.00 N ATOM 136 CA ILE B 591 7.088 -0.860 7.505 1.00 0.00 C ATOM 137 C ILE B 591 7.963 -1.895 6.796 1.00 0.00 C ATOM 138 O ILE B 591 8.742 -1.557 5.904 1.00 0.00 O ATOM 139 CB ILE B 591 7.870 -0.214 8.666 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.019 0.873 9.326 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.189 0.367 8.172 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.688 1.523 10.519 1.00 0.00 C ATOM 0 H ILE B 591 5.871 -1.780 8.935 1.00 0.00 H new ATOM 0 HA ILE B 591 6.825 -0.079 6.792 1.00 0.00 H new ATOM 0 HB ILE B 591 8.096 -0.983 9.405 1.00 0.00 H new ATOM 0 HG12 ILE B 591 6.787 1.640 8.587 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.071 0.439 9.643 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.724 0.818 9.008 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.797 -0.427 7.738 1.00 0.00 H new ATOM 0 HG23 ILE B 591 8.991 1.127 7.416 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.028 2.283 10.937 1.00 0.00 H new ATOM 0 HD12 ILE B 591 7.896 0.767 11.276 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.623 1.987 10.204 1.00 0.00 H new ATOM 154 N TYR B 592 7.837 -3.156 7.206 1.00 0.00 N ATOM 155 CA TYR B 592 8.624 -4.239 6.619 1.00 0.00 C ATOM 156 C TYR B 592 8.230 -4.504 5.173 1.00 0.00 C ATOM 157 O TYR B 592 9.088 -4.696 4.315 1.00 0.00 O ATOM 158 CB TYR B 592 8.495 -5.516 7.472 1.00 0.00 C ATOM 159 CG TYR B 592 8.125 -6.754 6.683 1.00 0.00 C ATOM 160 CD1 TYR B 592 6.851 -6.896 6.155 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.049 -7.763 6.449 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.505 -8.002 5.417 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.709 -8.883 5.711 1.00 0.00 C ATOM 164 CZ TYR B 592 7.434 -8.996 5.196 1.00 0.00 C ATOM 165 OH TYR B 592 7.090 -10.105 4.457 1.00 0.00 O ATOM 0 H TYR B 592 7.197 -3.453 7.943 1.00 0.00 H new ATOM 0 HA TYR B 592 9.669 -3.928 6.613 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.440 -5.694 7.984 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.741 -5.351 8.242 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.117 -6.123 6.327 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.048 -7.673 6.849 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.508 -8.092 5.011 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.436 -9.663 5.539 1.00 0.00 H new ATOM 0 HH TYR B 592 7.860 -10.708 4.395 1.00 0.00 H new ATOM 175 N LEU B 593 6.939 -4.516 4.908 1.00 0.00 N ATOM 176 CA LEU B 593 6.457 -4.763 3.558 1.00 0.00 C ATOM 177 C LEU B 593 6.754 -3.566 2.667 1.00 0.00 C ATOM 178 O LEU B 593 6.745 -3.669 1.441 1.00 0.00 O ATOM 179 CB LEU B 593 4.961 -5.123 3.558 1.00 0.00 C ATOM 180 CG LEU B 593 3.972 -3.989 3.264 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.209 -2.824 4.200 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.050 -3.548 1.809 1.00 0.00 C ATOM 0 H LEU B 593 6.207 -4.359 5.601 1.00 0.00 H new ATOM 0 HA LEU B 593 6.988 -5.623 3.150 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.802 -5.910 2.821 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.714 -5.544 4.533 1.00 0.00 H new ATOM 0 HG LEU B 593 2.964 -4.367 3.436 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.498 -2.028 3.977 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.075 -3.152 5.231 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.225 -2.451 4.067 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.336 -2.743 1.634 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.057 -3.194 1.590 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.812 -4.391 1.160 1.00 0.00 H new ATOM 194 N GLU B 594 7.020 -2.429 3.290 1.00 0.00 N ATOM 195 CA GLU B 594 7.327 -1.224 2.548 1.00 0.00 C ATOM 196 C GLU B 594 8.610 -1.407 1.739 1.00 0.00 C ATOM 197 O GLU B 594 8.769 -0.826 0.666 1.00 0.00 O ATOM 198 CB GLU B 594 7.453 -0.031 3.508 1.00 0.00 C ATOM 199 CG GLU B 594 8.887 0.365 3.835 1.00 0.00 C ATOM 200 CD GLU B 594 8.977 1.311 5.016 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.938 1.897 5.388 1.00 0.00 O ATOM 202 OE2 GLU B 594 10.086 1.468 5.568 1.00 0.00 O ATOM 0 H GLU B 594 7.029 -2.319 4.304 1.00 0.00 H new ATOM 0 HA GLU B 594 6.513 -1.023 1.851 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.943 0.827 3.071 1.00 0.00 H new ATOM 0 HB3 GLU B 594 6.935 -0.271 4.436 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.468 -0.532 4.048 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.338 0.836 2.962 1.00 0.00 H new ATOM 209 N GLU B 595 9.523 -2.214 2.274 1.00 0.00 N ATOM 210 CA GLU B 595 10.805 -2.472 1.618 1.00 0.00 C ATOM 211 C GLU B 595 10.660 -3.449 0.459 1.00 0.00 C ATOM 212 O GLU B 595 11.138 -3.190 -0.646 1.00 0.00 O ATOM 213 CB GLU B 595 11.844 -2.975 2.634 1.00 0.00 C ATOM 214 CG GLU B 595 11.770 -4.465 2.936 1.00 0.00 C ATOM 215 CD GLU B 595 12.500 -5.312 1.910 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.021 -4.740 0.930 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.550 -6.547 2.087 1.00 0.00 O ATOM 0 H GLU B 595 9.400 -2.702 3.161 1.00 0.00 H new ATOM 0 HA GLU B 595 11.158 -1.528 1.203 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.841 -2.743 2.258 1.00 0.00 H new ATOM 0 HB3 GLU B 595 11.718 -2.423 3.565 1.00 0.00 H new ATOM 0 HG2 GLU B 595 12.194 -4.652 3.922 1.00 0.00 H new ATOM 0 HG3 GLU B 595 10.725 -4.771 2.975 1.00 0.00 H new ATOM 224 N ILE B 596 9.995 -4.564 0.710 1.00 0.00 N ATOM 225 CA ILE B 596 9.785 -5.573 -0.330 1.00 0.00 C ATOM 226 C ILE B 596 9.127 -4.958 -1.555 1.00 0.00 C ATOM 227 O ILE B 596 9.286 -5.444 -2.675 1.00 0.00 O ATOM 228 CB ILE B 596 8.926 -6.760 0.157 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.689 -6.268 0.903 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.739 -7.682 1.046 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.485 -6.078 0.012 1.00 0.00 C ATOM 0 H ILE B 596 9.591 -4.798 1.617 1.00 0.00 H new ATOM 0 HA ILE B 596 10.774 -5.953 -0.587 1.00 0.00 H new ATOM 0 HB ILE B 596 8.601 -7.319 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.441 -6.981 1.689 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.922 -5.322 1.393 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.114 -8.511 1.378 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.590 -8.070 0.486 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.098 -7.128 1.914 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.643 -5.727 0.608 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.715 -5.342 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.227 -7.027 -0.458 1.00 0.00 H new ATOM 243 N LEU B 597 8.390 -3.888 -1.324 1.00 0.00 N ATOM 244 CA LEU B 597 7.696 -3.186 -2.388 1.00 0.00 C ATOM 245 C LEU B 597 8.657 -2.479 -3.319 1.00 0.00 C ATOM 246 O LEU B 597 8.992 -2.974 -4.395 1.00 0.00 O ATOM 247 CB LEU B 597 6.738 -2.163 -1.787 1.00 0.00 C ATOM 248 CG LEU B 597 6.279 -1.059 -2.749 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.459 -1.643 -3.882 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.487 -0.001 -2.000 1.00 0.00 C ATOM 0 H LEU B 597 8.256 -3.482 -0.398 1.00 0.00 H new ATOM 0 HA LEU B 597 7.147 -3.927 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.858 -2.687 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.220 -1.697 -0.927 1.00 0.00 H new ATOM 0 HG LEU B 597 7.162 -0.587 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.144 -0.844 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.063 -2.363 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.580 -2.143 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.168 0.775 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.611 -0.459 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.113 0.441 -1.225 1.00 0.00 H new ATOM 262 N VAL B 598 9.055 -1.295 -2.902 1.00 0.00 N ATOM 263 CA VAL B 598 9.931 -0.467 -3.687 1.00 0.00 C ATOM 264 C VAL B 598 10.935 0.245 -2.799 1.00 0.00 C ATOM 265 O VAL B 598 11.372 1.356 -3.098 1.00 0.00 O ATOM 266 CB VAL B 598 9.122 0.578 -4.478 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.133 -0.091 -5.425 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.396 1.513 -3.525 1.00 0.00 C ATOM 0 H VAL B 598 8.778 -0.885 -2.010 1.00 0.00 H new ATOM 0 HA VAL B 598 10.465 -1.113 -4.384 1.00 0.00 H new ATOM 0 HB VAL B 598 9.819 1.160 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.577 0.672 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.675 -0.719 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.439 -0.706 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.828 2.247 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.716 0.937 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.123 2.027 -2.896 1.00 0.00 H new ATOM 367 N VAL A 454 -8.616 -6.911 -2.053 1.00 0.00 N ATOM 368 CA VAL A 454 -7.380 -6.228 -2.409 1.00 0.00 C ATOM 369 C VAL A 454 -6.744 -6.862 -3.632 1.00 0.00 C ATOM 370 O VAL A 454 -6.345 -8.027 -3.608 1.00 0.00 O ATOM 371 CB VAL A 454 -6.384 -6.221 -1.231 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.936 -6.272 -1.710 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.624 -4.989 -0.386 1.00 0.00 C ATOM 0 HA VAL A 454 -7.633 -5.195 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.551 -7.116 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.268 -6.265 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.775 -7.183 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.729 -5.404 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.923 -4.978 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.478 -4.096 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.644 -5.004 -0.003 1.00 0.00 H new ATOM 383 N THR A 455 -6.666 -6.093 -4.708 1.00 0.00 N ATOM 384 CA THR A 455 -6.094 -6.590 -5.943 1.00 0.00 C ATOM 385 C THR A 455 -5.082 -5.637 -6.539 1.00 0.00 C ATOM 386 O THR A 455 -4.926 -4.501 -6.093 1.00 0.00 O ATOM 387 CB THR A 455 -7.200 -6.849 -6.950 1.00 0.00 C ATOM 388 OG1 THR A 455 -8.045 -5.718 -7.069 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.053 -8.024 -6.551 1.00 0.00 C ATOM 0 H THR A 455 -6.991 -5.127 -4.748 1.00 0.00 H new ATOM 0 HA THR A 455 -5.570 -7.516 -5.706 1.00 0.00 H new ATOM 0 HB THR A 455 -6.711 -7.061 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.750 -5.904 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.833 -8.177 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.433 -8.918 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.511 -7.828 -5.582 1.00 0.00 H new ATOM 397 N GLU A 456 -4.419 -6.120 -7.574 1.00 0.00 N ATOM 398 CA GLU A 456 -3.431 -5.347 -8.288 1.00 0.00 C ATOM 399 C GLU A 456 -4.103 -4.221 -9.050 1.00 0.00 C ATOM 400 O GLU A 456 -3.761 -3.050 -8.891 1.00 0.00 O ATOM 401 CB GLU A 456 -2.689 -6.259 -9.255 1.00 0.00 C ATOM 402 CG GLU A 456 -1.438 -6.886 -8.661 1.00 0.00 C ATOM 403 CD GLU A 456 -0.602 -7.608 -9.699 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.334 -7.013 -10.763 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.215 -8.769 -9.446 1.00 0.00 O ATOM 0 H GLU A 456 -4.554 -7.062 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.725 -4.915 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.362 -7.051 -9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.413 -5.688 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.835 -6.110 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.724 -7.588 -7.877 1.00 0.00 H new ATOM 412 N ASP A 457 -5.071 -4.594 -9.875 1.00 0.00 N ATOM 413 CA ASP A 457 -5.816 -3.630 -10.680 1.00 0.00 C ATOM 414 C ASP A 457 -6.353 -2.487 -9.826 1.00 0.00 C ATOM 415 O ASP A 457 -6.566 -1.377 -10.314 1.00 0.00 O ATOM 416 CB ASP A 457 -6.966 -4.327 -11.402 1.00 0.00 C ATOM 417 CG ASP A 457 -6.838 -4.246 -12.910 1.00 0.00 C ATOM 418 OD1 ASP A 457 -7.154 -3.178 -13.476 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.425 -5.251 -13.526 1.00 0.00 O ATOM 0 H ASP A 457 -5.362 -5.563 -10.006 1.00 0.00 H new ATOM 0 HA ASP A 457 -5.131 -3.208 -11.415 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -7.000 -5.374 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.910 -3.876 -11.096 1.00 0.00 H new ATOM 424 N ALA A 458 -6.579 -2.771 -8.552 1.00 0.00 N ATOM 425 CA ALA A 458 -7.100 -1.777 -7.625 1.00 0.00 C ATOM 426 C ALA A 458 -6.028 -0.778 -7.207 1.00 0.00 C ATOM 427 O ALA A 458 -6.305 0.409 -7.044 1.00 0.00 O ATOM 428 CB ALA A 458 -7.683 -2.461 -6.398 1.00 0.00 C ATOM 0 H ALA A 458 -6.409 -3.686 -8.135 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.886 -1.224 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.070 -1.708 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.492 -3.125 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.905 -3.041 -5.901 1.00 0.00 H new ATOM 434 N VAL A 459 -4.806 -1.261 -7.022 1.00 0.00 N ATOM 435 CA VAL A 459 -3.711 -0.397 -6.609 1.00 0.00 C ATOM 436 C VAL A 459 -3.230 0.478 -7.757 1.00 0.00 C ATOM 437 O VAL A 459 -2.946 1.660 -7.573 1.00 0.00 O ATOM 438 CB VAL A 459 -2.528 -1.203 -6.049 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.558 -0.284 -5.327 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.021 -2.299 -5.118 1.00 0.00 C ATOM 0 H VAL A 459 -4.550 -2.240 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.102 0.241 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.004 -1.673 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.725 -0.869 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.180 0.465 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.071 0.212 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.169 -2.859 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.568 -1.852 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.679 -2.973 -5.666 1.00 0.00 H new ATOM 450 N ARG A 460 -3.152 -0.109 -8.942 1.00 0.00 N ATOM 451 CA ARG A 460 -2.715 0.620 -10.131 1.00 0.00 C ATOM 452 C ARG A 460 -3.565 1.873 -10.324 1.00 0.00 C ATOM 453 O ARG A 460 -3.055 2.932 -10.690 1.00 0.00 O ATOM 454 CB ARG A 460 -2.803 -0.267 -11.380 1.00 0.00 C ATOM 455 CG ARG A 460 -2.214 -1.661 -11.202 1.00 0.00 C ATOM 456 CD ARG A 460 -0.759 -1.612 -10.759 1.00 0.00 C ATOM 457 NE ARG A 460 0.147 -2.074 -11.807 1.00 0.00 N ATOM 458 CZ ARG A 460 0.330 -3.355 -12.117 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.325 -4.304 -11.460 1.00 0.00 N ATOM 460 NH2 ARG A 460 1.172 -3.689 -13.085 1.00 0.00 N ATOM 0 H ARG A 460 -3.385 -1.088 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.675 0.912 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -3.849 -0.362 -11.671 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.287 0.230 -12.202 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -2.799 -2.211 -10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.289 -2.209 -12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.499 -0.591 -10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -0.630 -2.229 -9.870 1.00 0.00 H new ATOM 0 HE ARG A 460 0.670 -1.374 -12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.973 -4.053 -10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.181 -5.284 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.680 -2.964 -13.592 1.00 0.00 H new ATOM 0 HH22 ARG A 460 1.312 -4.671 -13.323 1.00 0.00 H new ATOM 474 N ARG A 461 -4.865 1.745 -10.066 1.00 0.00 N ATOM 475 CA ARG A 461 -5.786 2.865 -10.199 1.00 0.00 C ATOM 476 C ARG A 461 -5.554 3.891 -9.092 1.00 0.00 C ATOM 477 O ARG A 461 -5.822 5.079 -9.271 1.00 0.00 O ATOM 478 CB ARG A 461 -7.235 2.369 -10.197 1.00 0.00 C ATOM 479 CG ARG A 461 -7.719 1.918 -8.838 1.00 0.00 C ATOM 480 CD ARG A 461 -9.194 2.216 -8.642 1.00 0.00 C ATOM 481 NE ARG A 461 -9.428 3.117 -7.516 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.585 3.204 -6.862 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.618 2.450 -7.220 1.00 0.00 N ATOM 484 NH2 ARG A 461 -10.710 4.048 -5.847 1.00 0.00 N ATOM 0 H ARG A 461 -5.302 0.874 -9.763 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.597 3.357 -11.153 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -7.884 3.167 -10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.328 1.541 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.546 0.848 -8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.140 2.417 -8.061 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.597 2.661 -9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.733 1.283 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 461 -8.659 3.715 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.528 1.799 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.501 2.522 -6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -9.920 4.630 -5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.596 4.115 -5.346 1.00 0.00 H new ATOM 498 N TYR A 462 -5.036 3.427 -7.957 1.00 0.00 N ATOM 499 CA TYR A 462 -4.750 4.315 -6.837 1.00 0.00 C ATOM 500 C TYR A 462 -3.613 5.259 -7.201 1.00 0.00 C ATOM 501 O TYR A 462 -3.608 6.428 -6.815 1.00 0.00 O ATOM 502 CB TYR A 462 -4.372 3.512 -5.587 1.00 0.00 C ATOM 503 CG TYR A 462 -5.462 2.586 -5.083 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.758 2.656 -5.582 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.187 1.638 -4.104 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.747 1.809 -5.122 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.173 0.788 -3.639 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.450 0.877 -4.151 1.00 0.00 C ATOM 509 OH TYR A 462 -8.432 0.031 -3.691 1.00 0.00 O ATOM 0 H TYR A 462 -4.807 2.447 -7.791 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.649 4.893 -6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.482 2.921 -5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.106 4.207 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.995 3.385 -6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.188 1.565 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.748 1.877 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.944 0.057 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.019 -0.743 -3.254 1.00 0.00 H new ATOM 519 N LEU A 463 -2.649 4.733 -7.948 1.00 0.00 N ATOM 520 CA LEU A 463 -1.495 5.502 -8.376 1.00 0.00 C ATOM 521 C LEU A 463 -1.864 6.467 -9.492 1.00 0.00 C ATOM 522 O LEU A 463 -1.692 7.679 -9.359 1.00 0.00 O ATOM 523 CB LEU A 463 -0.401 4.555 -8.855 1.00 0.00 C ATOM 524 CG LEU A 463 -0.382 3.177 -8.188 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.904 2.449 -8.528 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.548 3.296 -6.676 1.00 0.00 C ATOM 0 H LEU A 463 -2.648 3.765 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.135 6.084 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.510 4.417 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.565 5.032 -8.691 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.224 2.600 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.906 1.470 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.976 2.323 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.755 3.029 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.531 2.302 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.267 3.892 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.499 3.779 -6.451 1.00 0.00 H new ATOM 538 N THR A 464 -2.377 5.924 -10.596 1.00 0.00 N ATOM 539 CA THR A 464 -2.776 6.739 -11.734 1.00 0.00 C ATOM 540 C THR A 464 -3.614 7.923 -11.271 1.00 0.00 C ATOM 541 O THR A 464 -3.623 8.982 -11.900 1.00 0.00 O ATOM 542 CB THR A 464 -3.561 5.896 -12.740 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.011 4.693 -12.144 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.757 5.527 -13.968 1.00 0.00 C ATOM 0 H THR A 464 -2.524 4.923 -10.723 1.00 0.00 H new ATOM 0 HA THR A 464 -1.878 7.119 -12.221 1.00 0.00 H new ATOM 0 HB THR A 464 -4.399 6.521 -13.048 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.274 4.048 -12.111 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.373 4.929 -14.640 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.437 6.435 -14.480 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.881 4.951 -13.670 1.00 0.00 H new ATOM 552 N ARG A 465 -4.307 7.733 -10.156 1.00 0.00 N ATOM 553 CA ARG A 465 -5.140 8.772 -9.588 1.00 0.00 C ATOM 554 C ARG A 465 -4.312 9.696 -8.696 1.00 0.00 C ATOM 555 O ARG A 465 -4.388 10.919 -8.813 1.00 0.00 O ATOM 556 CB ARG A 465 -6.288 8.158 -8.786 1.00 0.00 C ATOM 557 CG ARG A 465 -7.383 7.557 -9.651 1.00 0.00 C ATOM 558 CD ARG A 465 -8.341 6.710 -8.831 1.00 0.00 C ATOM 559 NE ARG A 465 -9.696 6.729 -9.378 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.055 6.092 -10.491 1.00 0.00 C ATOM 561 NH1 ARG A 465 -9.165 5.385 -11.175 1.00 0.00 N ATOM 562 NH2 ARG A 465 -11.308 6.162 -10.919 1.00 0.00 N ATOM 0 H ARG A 465 -4.305 6.861 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.558 9.359 -10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -5.889 7.384 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.723 8.925 -8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.935 8.355 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.935 6.946 -10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -7.978 5.683 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.360 7.075 -7.804 1.00 0.00 H new ATOM 0 HE ARG A 465 -10.408 7.261 -8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -8.200 5.327 -10.849 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -9.446 4.899 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -11.996 6.703 -10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -11.584 5.674 -11.771 1.00 0.00 H new ATOM 576 N LYS A 466 -3.520 9.100 -7.805 1.00 0.00 N ATOM 577 CA LYS A 466 -2.678 9.864 -6.894 1.00 0.00 C ATOM 578 C LYS A 466 -1.756 8.939 -6.093 1.00 0.00 C ATOM 579 O LYS A 466 -2.209 7.955 -5.509 1.00 0.00 O ATOM 580 CB LYS A 466 -3.550 10.690 -5.957 1.00 0.00 C ATOM 581 CG LYS A 466 -2.804 11.316 -4.788 1.00 0.00 C ATOM 582 CD LYS A 466 -2.209 12.666 -5.160 1.00 0.00 C ATOM 583 CE LYS A 466 -0.759 12.784 -4.715 1.00 0.00 C ATOM 584 NZ LYS A 466 -0.554 13.931 -3.788 1.00 0.00 N ATOM 0 H LYS A 466 -3.446 8.088 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.050 10.535 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.029 11.482 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.344 10.054 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -3.484 11.438 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.009 10.645 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.271 12.806 -6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.796 13.461 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.454 11.861 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.120 12.905 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.432 14.255 -3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -1.192 14.709 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -0.759 13.631 -2.814 1.00 0.00 H new ATOM 598 N PRO A 467 -0.444 9.242 -6.051 1.00 0.00 N ATOM 599 CA PRO A 467 0.535 8.432 -5.316 1.00 0.00 C ATOM 600 C PRO A 467 0.142 8.219 -3.858 1.00 0.00 C ATOM 601 O PRO A 467 -0.634 8.992 -3.295 1.00 0.00 O ATOM 602 CB PRO A 467 1.840 9.235 -5.422 1.00 0.00 C ATOM 603 CG PRO A 467 1.433 10.592 -5.891 1.00 0.00 C ATOM 604 CD PRO A 467 0.192 10.392 -6.709 1.00 0.00 C ATOM 0 HA PRO A 467 0.616 7.427 -5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.348 9.288 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.533 8.768 -6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.242 11.255 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.222 11.052 -6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.449 11.273 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.424 10.184 -7.753 1.00 0.00 H new ATOM 612 N MET A 468 0.675 7.157 -3.255 1.00 0.00 N ATOM 613 CA MET A 468 0.370 6.833 -1.864 1.00 0.00 C ATOM 614 C MET A 468 1.524 6.103 -1.190 1.00 0.00 C ATOM 615 O MET A 468 2.481 5.682 -1.837 1.00 0.00 O ATOM 616 CB MET A 468 -0.883 5.945 -1.782 1.00 0.00 C ATOM 617 CG MET A 468 -0.616 4.474 -2.072 1.00 0.00 C ATOM 618 SD MET A 468 0.105 4.205 -3.703 1.00 0.00 S ATOM 619 CE MET A 468 1.630 3.369 -3.269 1.00 0.00 C ATOM 0 H MET A 468 1.319 6.508 -3.708 1.00 0.00 H new ATOM 0 HA MET A 468 0.198 7.777 -1.348 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.317 6.036 -0.786 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.626 6.316 -2.488 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.056 4.074 -1.312 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.550 3.918 -1.996 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.831 2.580 -3.993 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.452 4.085 -3.275 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.536 2.933 -2.274 1.00 0.00 H new ATOM 629 N THR A 469 1.387 5.918 0.116 1.00 0.00 N ATOM 630 CA THR A 469 2.366 5.189 0.902 1.00 0.00 C ATOM 631 C THR A 469 1.794 3.807 1.195 1.00 0.00 C ATOM 632 O THR A 469 0.582 3.615 1.098 1.00 0.00 O ATOM 633 CB THR A 469 2.659 5.916 2.215 1.00 0.00 C ATOM 634 OG1 THR A 469 1.458 6.202 2.909 1.00 0.00 O ATOM 635 CG2 THR A 469 3.398 7.218 2.023 1.00 0.00 C ATOM 0 H THR A 469 0.596 6.269 0.656 1.00 0.00 H new ATOM 0 HA THR A 469 3.301 5.112 0.347 1.00 0.00 H new ATOM 0 HB THR A 469 3.293 5.237 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.667 6.665 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.574 7.683 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 469 4.353 7.026 1.534 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.801 7.887 1.403 1.00 0.00 H new ATOM 643 N THR A 470 2.634 2.843 1.550 1.00 0.00 N ATOM 644 CA THR A 470 2.130 1.505 1.841 1.00 0.00 C ATOM 645 C THR A 470 1.045 1.565 2.898 1.00 0.00 C ATOM 646 O THR A 470 0.001 0.927 2.770 1.00 0.00 O ATOM 647 CB THR A 470 3.252 0.563 2.278 1.00 0.00 C ATOM 648 OG1 THR A 470 4.441 1.277 2.555 1.00 0.00 O ATOM 649 CG2 THR A 470 3.574 -0.485 1.235 1.00 0.00 C ATOM 0 H THR A 470 3.644 2.956 1.642 1.00 0.00 H new ATOM 0 HA THR A 470 1.703 1.105 0.921 1.00 0.00 H new ATOM 0 HB THR A 470 2.883 0.069 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.788 1.008 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.377 -1.126 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.688 -1.089 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 470 3.889 0.004 0.313 1.00 0.00 H new ATOM 657 N LYS A 471 1.288 2.355 3.927 1.00 0.00 N ATOM 658 CA LYS A 471 0.321 2.523 4.999 1.00 0.00 C ATOM 659 C LYS A 471 -0.968 3.111 4.443 1.00 0.00 C ATOM 660 O LYS A 471 -2.038 2.513 4.543 1.00 0.00 O ATOM 661 CB LYS A 471 0.880 3.440 6.091 1.00 0.00 C ATOM 662 CG LYS A 471 2.315 3.126 6.484 1.00 0.00 C ATOM 663 CD LYS A 471 3.302 4.039 5.777 1.00 0.00 C ATOM 664 CE LYS A 471 4.560 3.288 5.369 1.00 0.00 C ATOM 665 NZ LYS A 471 5.067 3.730 4.042 1.00 0.00 N ATOM 0 H LYS A 471 2.147 2.892 4.045 1.00 0.00 H new ATOM 0 HA LYS A 471 0.115 1.546 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 471 0.825 4.473 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.247 3.364 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.429 3.232 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.540 2.088 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 471 2.832 4.471 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.568 4.867 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.333 3.440 6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.350 2.219 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 6.097 3.589 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.610 3.173 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.850 4.738 3.905 1.00 0.00 H new ATOM 679 N ASP A 472 -0.852 4.287 3.846 1.00 0.00 N ATOM 680 CA ASP A 472 -2.003 4.964 3.264 1.00 0.00 C ATOM 681 C ASP A 472 -2.702 4.090 2.222 1.00 0.00 C ATOM 682 O ASP A 472 -3.867 4.318 1.899 1.00 0.00 O ATOM 683 CB ASP A 472 -1.572 6.289 2.633 1.00 0.00 C ATOM 684 CG ASP A 472 -2.741 7.065 2.059 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.097 6.822 0.886 1.00 0.00 O ATOM 686 OD2 ASP A 472 -3.301 7.917 2.781 1.00 0.00 O ATOM 0 H ASP A 472 0.028 4.794 3.751 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.714 5.161 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -1.069 6.899 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.847 6.093 1.843 1.00 0.00 H new ATOM 691 N LEU A 473 -1.993 3.093 1.689 1.00 0.00 N ATOM 692 CA LEU A 473 -2.574 2.208 0.684 1.00 0.00 C ATOM 693 C LEU A 473 -3.290 1.031 1.327 1.00 0.00 C ATOM 694 O LEU A 473 -4.374 0.639 0.900 1.00 0.00 O ATOM 695 CB LEU A 473 -1.501 1.706 -0.272 1.00 0.00 C ATOM 696 CG LEU A 473 -1.972 1.485 -1.710 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.783 1.307 -2.638 1.00 0.00 C ATOM 698 CD2 LEU A 473 -2.894 0.278 -1.785 1.00 0.00 C ATOM 0 H LEU A 473 -1.026 2.881 1.935 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.308 2.786 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.679 2.422 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.103 0.767 0.113 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.529 2.365 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.137 1.151 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.158 2.199 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.200 0.443 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.221 0.133 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.360 -0.610 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.763 0.444 -1.148 1.00 0.00 H new ATOM 710 N LEU A 474 -2.671 0.464 2.346 1.00 0.00 N ATOM 711 CA LEU A 474 -3.249 -0.681 3.046 1.00 0.00 C ATOM 712 C LEU A 474 -4.246 -0.254 4.125 1.00 0.00 C ATOM 713 O LEU A 474 -5.347 -0.797 4.211 1.00 0.00 O ATOM 714 CB LEU A 474 -2.163 -1.562 3.662 1.00 0.00 C ATOM 715 CG LEU A 474 -1.195 -0.827 4.573 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.561 -1.041 6.033 1.00 0.00 C ATOM 717 CD2 LEU A 474 0.235 -1.277 4.305 1.00 0.00 C ATOM 0 H LEU A 474 -1.770 0.773 2.711 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.790 -1.260 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.640 -2.361 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.598 -2.035 2.859 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.266 0.239 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -0.855 -0.506 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.568 -0.666 6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.523 -2.105 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.915 -0.740 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 474 0.320 -2.348 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.495 -1.065 3.268 1.00 0.00 H new ATOM 729 N LYS A 475 -3.850 0.708 4.956 1.00 0.00 N ATOM 730 CA LYS A 475 -4.698 1.192 6.037 1.00 0.00 C ATOM 731 C LYS A 475 -6.109 1.516 5.559 1.00 0.00 C ATOM 732 O LYS A 475 -7.069 1.406 6.322 1.00 0.00 O ATOM 733 CB LYS A 475 -4.057 2.424 6.668 1.00 0.00 C ATOM 734 CG LYS A 475 -2.676 2.143 7.228 1.00 0.00 C ATOM 735 CD LYS A 475 -2.719 1.037 8.264 1.00 0.00 C ATOM 736 CE LYS A 475 -1.407 0.930 9.024 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.083 -0.480 9.377 1.00 0.00 N ATOM 0 H LYS A 475 -2.942 1.168 4.898 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.787 0.398 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.988 3.215 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -4.700 2.794 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.003 1.861 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.271 3.050 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -3.532 1.226 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.935 0.087 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -0.602 1.347 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.465 1.528 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -0.059 -0.636 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.370 -0.667 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -1.593 -1.124 8.739 1.00 0.00 H new ATOM 751 N LYS A 476 -6.234 1.916 4.301 1.00 0.00 N ATOM 752 CA LYS A 476 -7.540 2.253 3.749 1.00 0.00 C ATOM 753 C LYS A 476 -8.415 1.007 3.617 1.00 0.00 C ATOM 754 O LYS A 476 -9.606 1.042 3.925 1.00 0.00 O ATOM 755 CB LYS A 476 -7.402 2.952 2.394 1.00 0.00 C ATOM 756 CG LYS A 476 -6.391 2.300 1.469 1.00 0.00 C ATOM 757 CD LYS A 476 -6.839 2.363 0.019 1.00 0.00 C ATOM 758 CE LYS A 476 -7.289 1.002 -0.483 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.502 1.099 -1.342 1.00 0.00 N ATOM 0 H LYS A 476 -5.456 2.015 3.649 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.023 2.942 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.375 2.966 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.113 3.990 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.427 2.797 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.247 1.260 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.656 3.077 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.020 2.728 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.480 0.538 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.497 0.352 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.288 0.588 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -8.763 2.098 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.303 0.679 -2.272 1.00 0.00 H new ATOM 773 N PHE A 477 -7.820 -0.096 3.165 1.00 0.00 N ATOM 774 CA PHE A 477 -8.548 -1.343 3.005 1.00 0.00 C ATOM 775 C PHE A 477 -8.988 -1.895 4.353 1.00 0.00 C ATOM 776 O PHE A 477 -10.011 -2.571 4.459 1.00 0.00 O ATOM 777 CB PHE A 477 -7.670 -2.365 2.290 1.00 0.00 C ATOM 778 CG PHE A 477 -7.776 -2.306 0.797 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.970 -2.600 0.160 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.680 -1.953 0.030 1.00 0.00 C ATOM 781 CE1 PHE A 477 -9.068 -2.544 -1.217 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.771 -1.894 -1.345 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.967 -2.190 -1.971 1.00 0.00 C ATOM 0 H PHE A 477 -6.835 -0.146 2.904 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.439 -1.146 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.631 -2.205 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.944 -3.365 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.834 -2.876 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.743 -1.721 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -10.004 -2.777 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.908 -1.617 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 477 -8.040 -2.144 -3.048 1.00 0.00 H new ATOM 889 N LEU A 484 -10.520 -7.940 5.695 1.00 0.00 N ATOM 890 CA LEU A 484 -9.173 -8.446 5.892 1.00 0.00 C ATOM 891 C LEU A 484 -8.495 -7.757 7.072 1.00 0.00 C ATOM 892 O LEU A 484 -8.484 -6.530 7.169 1.00 0.00 O ATOM 893 CB LEU A 484 -8.344 -8.261 4.619 1.00 0.00 C ATOM 894 CG LEU A 484 -7.685 -9.534 4.083 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.703 -10.658 3.965 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.030 -9.264 2.737 1.00 0.00 C ATOM 0 HA LEU A 484 -9.241 -9.511 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.987 -7.849 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.566 -7.522 4.814 1.00 0.00 H new ATOM 0 HG LEU A 484 -6.914 -9.845 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.214 -11.554 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.128 -10.868 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.498 -10.359 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.565 -10.179 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.785 -8.928 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.270 -8.491 2.851 1.00 0.00 H new ATOM 908 N SER A 485 -7.930 -8.562 7.968 1.00 0.00 N ATOM 909 CA SER A 485 -7.243 -8.049 9.151 1.00 0.00 C ATOM 910 C SER A 485 -6.318 -6.886 8.805 1.00 0.00 C ATOM 911 O SER A 485 -5.788 -6.810 7.698 1.00 0.00 O ATOM 912 CB SER A 485 -6.433 -9.161 9.809 1.00 0.00 C ATOM 913 OG SER A 485 -6.803 -9.330 11.167 1.00 0.00 O ATOM 0 H SER A 485 -7.935 -9.579 7.896 1.00 0.00 H new ATOM 0 HA SER A 485 -8.004 -7.686 9.841 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.587 -10.095 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.370 -8.927 9.745 1.00 0.00 H new ATOM 0 HG SER A 485 -6.270 -10.050 11.564 1.00 0.00 H new ATOM 919 N SER A 486 -6.115 -5.992 9.768 1.00 0.00 N ATOM 920 CA SER A 486 -5.240 -4.844 9.569 1.00 0.00 C ATOM 921 C SER A 486 -3.824 -5.304 9.240 1.00 0.00 C ATOM 922 O SER A 486 -3.056 -4.580 8.608 1.00 0.00 O ATOM 923 CB SER A 486 -5.227 -3.961 10.818 1.00 0.00 C ATOM 924 OG SER A 486 -6.525 -3.845 11.373 1.00 0.00 O ATOM 0 H SER A 486 -6.544 -6.041 10.692 1.00 0.00 H new ATOM 0 HA SER A 486 -5.623 -4.262 8.731 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.548 -4.383 11.559 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.847 -2.972 10.564 1.00 0.00 H new ATOM 0 HG SER A 486 -6.490 -3.277 12.171 1.00 0.00 H new ATOM 930 N GLU A 487 -3.492 -6.515 9.672 1.00 0.00 N ATOM 931 CA GLU A 487 -2.178 -7.088 9.428 1.00 0.00 C ATOM 932 C GLU A 487 -2.177 -7.890 8.137 1.00 0.00 C ATOM 933 O GLU A 487 -1.273 -7.764 7.311 1.00 0.00 O ATOM 934 CB GLU A 487 -1.754 -7.980 10.598 1.00 0.00 C ATOM 935 CG GLU A 487 -2.241 -7.490 11.953 1.00 0.00 C ATOM 936 CD GLU A 487 -1.448 -8.078 13.104 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.304 -8.521 12.873 1.00 0.00 O ATOM 938 OE2 GLU A 487 -1.973 -8.094 14.237 1.00 0.00 O ATOM 0 H GLU A 487 -4.122 -7.122 10.197 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.463 -6.270 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.132 -8.988 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.666 -8.047 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.174 -6.403 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.293 -7.748 12.072 1.00 0.00 H new ATOM 945 N GLN A 488 -3.204 -8.706 7.972 1.00 0.00 N ATOM 946 CA GLN A 488 -3.341 -9.530 6.783 1.00 0.00 C ATOM 947 C GLN A 488 -3.497 -8.649 5.552 1.00 0.00 C ATOM 948 O GLN A 488 -2.901 -8.914 4.508 1.00 0.00 O ATOM 949 CB GLN A 488 -4.535 -10.475 6.915 1.00 0.00 C ATOM 950 CG GLN A 488 -4.142 -11.891 7.299 1.00 0.00 C ATOM 951 CD GLN A 488 -5.115 -12.523 8.274 1.00 0.00 C ATOM 952 OE1 GLN A 488 -4.720 -13.024 9.327 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.397 -12.504 7.927 1.00 0.00 N ATOM 0 H GLN A 488 -3.958 -8.816 8.650 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.439 -10.133 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.221 -10.080 7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.076 -10.500 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.085 -12.504 6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.146 -11.880 7.741 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.680 -12.078 7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.098 -12.915 8.543 1.00 0.00 H new ATOM 962 N THR A 489 -4.285 -7.581 5.686 1.00 0.00 N ATOM 963 CA THR A 489 -4.491 -6.649 4.583 1.00 0.00 C ATOM 964 C THR A 489 -3.143 -6.230 4.010 1.00 0.00 C ATOM 965 O THR A 489 -3.017 -5.949 2.821 1.00 0.00 O ATOM 966 CB THR A 489 -5.264 -5.415 5.053 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.518 -5.781 5.598 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.520 -4.416 3.945 1.00 0.00 C ATOM 0 H THR A 489 -4.786 -7.343 6.542 1.00 0.00 H new ATOM 0 HA THR A 489 -5.077 -7.147 3.810 1.00 0.00 H new ATOM 0 HB THR A 489 -4.630 -4.948 5.807 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.459 -5.793 6.576 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.072 -3.564 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.569 -4.074 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.104 -4.890 3.156 1.00 0.00 H new ATOM 976 N VAL A 490 -2.136 -6.211 4.878 1.00 0.00 N ATOM 977 CA VAL A 490 -0.779 -5.850 4.482 1.00 0.00 C ATOM 978 C VAL A 490 -0.068 -7.061 3.900 1.00 0.00 C ATOM 979 O VAL A 490 0.655 -6.960 2.909 1.00 0.00 O ATOM 980 CB VAL A 490 0.022 -5.317 5.683 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.287 -4.613 5.224 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.842 -4.387 6.512 1.00 0.00 C ATOM 0 H VAL A 490 -2.236 -6.443 5.866 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.844 -5.065 3.729 1.00 0.00 H new ATOM 0 HB VAL A 490 0.320 -6.162 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.834 -4.246 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.912 -5.313 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.023 -3.774 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.267 -4.015 7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.167 -3.548 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.715 -4.929 6.876 1.00 0.00 H new ATOM 992 N ASN A 491 -0.301 -8.212 4.519 1.00 0.00 N ATOM 993 CA ASN A 491 0.289 -9.465 4.070 1.00 0.00 C ATOM 994 C ASN A 491 -0.171 -9.776 2.648 1.00 0.00 C ATOM 995 O ASN A 491 0.557 -10.386 1.864 1.00 0.00 O ATOM 996 CB ASN A 491 -0.112 -10.589 5.031 1.00 0.00 C ATOM 997 CG ASN A 491 0.068 -11.975 4.440 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.175 -12.371 4.075 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.030 -12.717 4.342 1.00 0.00 N ATOM 0 H ASN A 491 -0.900 -8.302 5.340 1.00 0.00 H new ATOM 0 HA ASN A 491 1.376 -9.379 4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.483 -10.509 5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.155 -10.457 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -0.977 -13.658 3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.926 -12.346 4.658 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.385 -9.341 2.328 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.960 -9.553 1.005 1.00 0.00 C ATOM 1008 C VAL A 492 -1.766 -8.321 0.124 1.00 0.00 C ATOM 1009 O VAL A 492 -1.965 -8.379 -1.086 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.464 -9.881 1.109 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.184 -8.819 1.929 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.091 -10.020 -0.272 1.00 0.00 C ATOM 0 H VAL A 492 -1.993 -8.836 2.972 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.442 -10.398 0.551 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.570 -10.839 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.244 -9.065 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.759 -8.783 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.065 -7.847 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.151 -10.251 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.975 -9.085 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.596 -10.824 -0.817 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.369 -7.207 0.731 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.143 -5.985 -0.015 1.00 0.00 C ATOM 1024 C LEU A 493 0.312 -5.909 -0.464 1.00 0.00 C ATOM 1025 O LEU A 493 0.611 -5.517 -1.591 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.502 -4.758 0.837 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.302 -3.387 0.171 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.322 -3.483 -1.351 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -2.362 -2.407 0.647 1.00 0.00 C ATOM 0 H LEU A 493 -1.199 -7.130 1.734 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.785 -5.991 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.546 -4.844 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.904 -4.787 1.748 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.317 -3.024 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.177 -2.492 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.521 -4.143 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.282 -3.883 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.207 -1.441 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.351 -2.786 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.290 -2.290 1.728 1.00 0.00 H new ATOM 1041 N ALA A 494 1.214 -6.305 0.431 1.00 0.00 N ATOM 1042 CA ALA A 494 2.644 -6.300 0.142 1.00 0.00 C ATOM 1043 C ALA A 494 2.943 -6.999 -1.177 1.00 0.00 C ATOM 1044 O ALA A 494 3.833 -6.592 -1.921 1.00 0.00 O ATOM 1045 CB ALA A 494 3.404 -6.976 1.271 1.00 0.00 C ATOM 0 H ALA A 494 0.977 -6.635 1.367 1.00 0.00 H new ATOM 0 HA ALA A 494 2.968 -5.263 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.471 -6.968 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.225 -6.440 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.063 -8.006 1.374 1.00 0.00 H new ATOM 1051 N GLN A 495 2.194 -8.059 -1.453 1.00 0.00 N ATOM 1052 CA GLN A 495 2.371 -8.828 -2.668 1.00 0.00 C ATOM 1053 C GLN A 495 1.990 -8.013 -3.900 1.00 0.00 C ATOM 1054 O GLN A 495 2.674 -8.051 -4.923 1.00 0.00 O ATOM 1055 CB GLN A 495 1.521 -10.092 -2.598 1.00 0.00 C ATOM 1056 CG GLN A 495 0.096 -9.837 -2.167 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.905 -10.079 -3.282 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.532 -10.407 -4.409 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.186 -9.916 -2.975 1.00 0.00 N ATOM 0 H GLN A 495 1.453 -8.404 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 495 3.424 -9.096 -2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.516 -10.571 -3.577 1.00 0.00 H new ATOM 0 HB3 GLN A 495 1.983 -10.793 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -0.145 -10.482 -1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.004 -8.808 -1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.453 -9.644 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.903 -10.063 -3.685 1.00 0.00 H new ATOM 1068 N ILE A 496 0.882 -7.293 -3.795 1.00 0.00 N ATOM 1069 CA ILE A 496 0.380 -6.482 -4.894 1.00 0.00 C ATOM 1070 C ILE A 496 1.152 -5.167 -5.052 1.00 0.00 C ATOM 1071 O ILE A 496 1.465 -4.758 -6.170 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.120 -6.173 -4.705 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.961 -7.400 -5.055 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.540 -4.987 -5.557 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.189 -7.562 -4.188 1.00 0.00 C ATOM 0 H ILE A 496 0.310 -7.255 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 496 0.525 -7.068 -5.801 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.287 -5.918 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.270 -7.332 -6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.342 -8.292 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.601 -4.789 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.962 -4.109 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.358 -5.212 -6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.736 -8.454 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.888 -7.662 -3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.830 -6.687 -4.298 1.00 0.00 H new ATOM 1087 N LEU A 497 1.424 -4.501 -3.933 1.00 0.00 N ATOM 1088 CA LEU A 497 2.132 -3.215 -3.935 1.00 0.00 C ATOM 1089 C LEU A 497 3.218 -3.141 -5.016 1.00 0.00 C ATOM 1090 O LEU A 497 3.214 -2.239 -5.853 1.00 0.00 O ATOM 1091 CB LEU A 497 2.760 -2.962 -2.555 1.00 0.00 C ATOM 1092 CG LEU A 497 2.391 -1.641 -1.845 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.922 -0.562 -2.817 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.329 -1.889 -0.790 1.00 0.00 C ATOM 0 H LEU A 497 1.164 -4.831 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 497 1.395 -2.444 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.481 -3.787 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.844 -2.995 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 497 3.300 -1.272 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.676 0.344 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.716 -0.346 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.039 -0.912 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.079 -0.949 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.437 -2.300 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.708 -2.596 -0.052 1.00 0.00 H new ATOM 1106 N LYS A 498 4.166 -4.074 -4.969 1.00 0.00 N ATOM 1107 CA LYS A 498 5.280 -4.094 -5.920 1.00 0.00 C ATOM 1108 C LYS A 498 4.821 -4.291 -7.362 1.00 0.00 C ATOM 1109 O LYS A 498 5.531 -3.923 -8.298 1.00 0.00 O ATOM 1110 CB LYS A 498 6.283 -5.184 -5.542 1.00 0.00 C ATOM 1111 CG LYS A 498 5.727 -6.594 -5.660 1.00 0.00 C ATOM 1112 CD LYS A 498 5.179 -7.098 -4.333 1.00 0.00 C ATOM 1113 CE LYS A 498 6.230 -7.031 -3.230 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.049 -8.116 -2.226 1.00 0.00 N ATOM 0 H LYS A 498 4.187 -4.828 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 498 5.758 -3.116 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.161 -5.095 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.616 -5.019 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.936 -6.611 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.511 -7.266 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.312 -6.502 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.836 -8.126 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.224 -7.106 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.174 -6.063 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.895 -8.176 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.218 -7.908 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.908 -9.022 -2.716 1.00 0.00 H new ATOM 1128 N ARG A 499 3.641 -4.864 -7.542 1.00 0.00 N ATOM 1129 CA ARG A 499 3.109 -5.093 -8.885 1.00 0.00 C ATOM 1130 C ARG A 499 2.953 -3.774 -9.635 1.00 0.00 C ATOM 1131 O ARG A 499 2.860 -3.751 -10.862 1.00 0.00 O ATOM 1132 CB ARG A 499 1.757 -5.804 -8.820 1.00 0.00 C ATOM 1133 CG ARG A 499 1.730 -6.977 -7.860 1.00 0.00 C ATOM 1134 CD ARG A 499 2.402 -8.202 -8.453 1.00 0.00 C ATOM 1135 NE ARG A 499 3.654 -8.525 -7.772 1.00 0.00 N ATOM 1136 CZ ARG A 499 4.604 -9.297 -8.295 1.00 0.00 C ATOM 1137 NH1 ARG A 499 4.451 -9.825 -9.503 1.00 0.00 N ATOM 1138 NH2 ARG A 499 5.712 -9.540 -7.608 1.00 0.00 N ATOM 0 H ARG A 499 3.034 -5.178 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 499 3.818 -5.726 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 499 0.993 -5.086 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.493 -6.156 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 499 2.231 -6.700 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.697 -7.216 -7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 499 1.725 -9.054 -8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.599 -8.031 -9.511 1.00 0.00 H new ATOM 0 HE ARG A 499 3.809 -8.136 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 499 3.602 -9.640 -10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 499 5.183 -10.416 -9.898 1.00 0.00 H new ATOM 0 HH21 ARG A 499 5.836 -9.136 -6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 499 6.441 -10.131 -8.008 1.00 0.00 H new ATOM 1152 N LEU A 500 2.909 -2.682 -8.883 1.00 0.00 N ATOM 1153 CA LEU A 500 2.747 -1.357 -9.458 1.00 0.00 C ATOM 1154 C LEU A 500 3.925 -0.967 -10.330 1.00 0.00 C ATOM 1155 O LEU A 500 3.754 -0.479 -11.447 1.00 0.00 O ATOM 1156 CB LEU A 500 2.581 -0.339 -8.336 1.00 0.00 C ATOM 1157 CG LEU A 500 1.469 -0.667 -7.344 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.656 0.103 -6.045 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.116 -0.370 -7.965 1.00 0.00 C ATOM 0 H LEU A 500 2.984 -2.691 -7.866 1.00 0.00 H new ATOM 0 HA LEU A 500 1.860 -1.372 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.523 -0.258 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.382 0.638 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 500 1.515 -1.730 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.851 -0.148 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.614 -0.164 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.637 1.173 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.672 -0.607 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.061 0.686 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.013 -0.976 -8.862 1.00 0.00 H new ATOM 1171 N ASN A 501 5.116 -1.167 -9.803 1.00 0.00 N ATOM 1172 CA ASN A 501 6.333 -0.819 -10.518 1.00 0.00 C ATOM 1173 C ASN A 501 6.297 0.661 -10.890 1.00 0.00 C ATOM 1174 O ASN A 501 6.354 1.025 -12.064 1.00 0.00 O ATOM 1175 CB ASN A 501 6.472 -1.693 -11.766 1.00 0.00 C ATOM 1176 CG ASN A 501 7.648 -1.303 -12.634 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.518 -0.510 -13.566 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.807 -1.870 -12.330 1.00 0.00 N ATOM 0 H ASN A 501 5.270 -1.570 -8.879 1.00 0.00 H new ATOM 0 HA ASN A 501 7.198 -0.998 -9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.581 -2.734 -11.463 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.556 -1.626 -12.353 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.640 -1.654 -12.878 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.866 -2.522 -11.548 1.00 0.00 H new ATOM 1185 N PRO A 502 6.187 1.536 -9.876 1.00 0.00 N ATOM 1186 CA PRO A 502 6.125 2.968 -10.048 1.00 0.00 C ATOM 1187 C PRO A 502 7.462 3.626 -9.757 1.00 0.00 C ATOM 1188 O PRO A 502 8.504 2.970 -9.755 1.00 0.00 O ATOM 1189 CB PRO A 502 5.100 3.358 -8.980 1.00 0.00 C ATOM 1190 CG PRO A 502 5.223 2.314 -7.905 1.00 0.00 C ATOM 1191 CD PRO A 502 6.104 1.213 -8.451 1.00 0.00 C ATOM 0 HA PRO A 502 5.870 3.274 -11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.304 4.353 -8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 502 4.092 3.379 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.657 2.742 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.242 1.923 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 502 7.087 1.211 -7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.669 0.228 -8.285 1.00 0.00 H new ATOM 1199 N GLU A 503 7.421 4.919 -9.489 1.00 0.00 N ATOM 1200 CA GLU A 503 8.612 5.665 -9.168 1.00 0.00 C ATOM 1201 C GLU A 503 8.481 6.265 -7.778 1.00 0.00 C ATOM 1202 O GLU A 503 7.400 6.703 -7.384 1.00 0.00 O ATOM 1203 CB GLU A 503 8.847 6.751 -10.209 1.00 0.00 C ATOM 1204 CG GLU A 503 9.977 6.424 -11.169 1.00 0.00 C ATOM 1205 CD GLU A 503 11.211 7.275 -10.931 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.983 6.952 -10.004 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.403 8.262 -11.670 1.00 0.00 O ATOM 0 H GLU A 503 6.565 5.473 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 503 9.472 4.995 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.930 6.906 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 503 9.070 7.690 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.241 5.371 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.632 6.569 -12.193 1.00 0.00 H new ATOM 1214 N ARG A 504 9.571 6.262 -7.026 1.00 0.00 N ATOM 1215 CA ARG A 504 9.544 6.788 -5.672 1.00 0.00 C ATOM 1216 C ARG A 504 9.621 8.309 -5.660 1.00 0.00 C ATOM 1217 O ARG A 504 10.427 8.914 -6.367 1.00 0.00 O ATOM 1218 CB ARG A 504 10.678 6.192 -4.845 1.00 0.00 C ATOM 1219 CG ARG A 504 12.062 6.618 -5.306 1.00 0.00 C ATOM 1220 CD ARG A 504 12.519 7.884 -4.600 1.00 0.00 C ATOM 1221 NE ARG A 504 13.231 8.787 -5.501 1.00 0.00 N ATOM 1222 CZ ARG A 504 13.680 9.988 -5.145 1.00 0.00 C ATOM 1223 NH1 ARG A 504 13.492 10.436 -3.909 1.00 0.00 N ATOM 1224 NH2 ARG A 504 14.319 10.746 -6.026 1.00 0.00 N ATOM 0 H ARG A 504 10.477 5.904 -7.328 1.00 0.00 H new ATOM 0 HA ARG A 504 8.592 6.500 -5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.547 6.483 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.611 5.105 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.774 5.815 -5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 504 12.053 6.784 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.654 8.398 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.168 7.619 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 504 13.394 8.479 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 504 13.001 9.859 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 504 13.839 11.357 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 504 14.467 10.408 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 504 14.663 11.666 -5.752 1.00 0.00 H new ATOM 1238 N LYS A 505 8.766 8.908 -4.844 1.00 0.00 N ATOM 1239 CA LYS A 505 8.698 10.358 -4.704 1.00 0.00 C ATOM 1240 C LYS A 505 8.102 10.713 -3.349 1.00 0.00 C ATOM 1241 O LYS A 505 7.448 9.885 -2.722 1.00 0.00 O ATOM 1242 CB LYS A 505 7.849 10.977 -5.821 1.00 0.00 C ATOM 1243 CG LYS A 505 7.975 10.266 -7.159 1.00 0.00 C ATOM 1244 CD LYS A 505 7.021 10.849 -8.189 1.00 0.00 C ATOM 1245 CE LYS A 505 5.586 10.424 -7.922 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.605 11.379 -8.507 1.00 0.00 N ATOM 0 H LYS A 505 8.099 8.404 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 505 9.708 10.760 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.803 10.970 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.138 12.021 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 505 9.000 10.349 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.768 9.204 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.088 11.937 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.318 10.525 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.418 9.431 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.424 10.350 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.639 11.053 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.748 12.321 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.742 11.431 -9.537 1.00 0.00 H new ATOM 1260 N MET A 506 8.332 11.936 -2.890 1.00 0.00 N ATOM 1261 CA MET A 506 7.806 12.360 -1.597 1.00 0.00 C ATOM 1262 C MET A 506 6.589 13.267 -1.753 1.00 0.00 C ATOM 1263 O MET A 506 6.706 14.417 -2.176 1.00 0.00 O ATOM 1264 CB MET A 506 8.888 13.074 -0.785 1.00 0.00 C ATOM 1265 CG MET A 506 9.595 14.185 -1.543 1.00 0.00 C ATOM 1266 SD MET A 506 10.079 15.555 -0.474 1.00 0.00 S ATOM 1267 CE MET A 506 10.523 14.684 1.028 1.00 0.00 C ATOM 0 H MET A 506 8.872 12.645 -3.386 1.00 0.00 H new ATOM 0 HA MET A 506 7.491 11.463 -1.064 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.437 13.492 0.115 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.627 12.342 -0.460 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.481 13.780 -2.032 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.939 14.557 -2.330 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.102 15.344 1.674 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.618 14.370 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.120 13.807 0.777 1.00 0.00 H new ATOM 1277 N ILE A 507 5.423 12.743 -1.385 1.00 0.00 N ATOM 1278 CA ILE A 507 4.183 13.505 -1.458 1.00 0.00 C ATOM 1279 C ILE A 507 3.943 14.234 -0.137 1.00 0.00 C ATOM 1280 O ILE A 507 3.663 13.607 0.885 1.00 0.00 O ATOM 1281 CB ILE A 507 2.964 12.592 -1.768 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.951 12.117 -3.235 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.663 13.315 -1.453 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.883 12.883 -4.151 1.00 0.00 C ATOM 0 H ILE A 507 5.312 11.792 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 507 4.286 14.224 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 507 3.056 11.711 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.220 11.061 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.935 12.198 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.820 12.661 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.643 13.585 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.592 14.218 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.810 12.483 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.603 13.936 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.908 12.782 -3.794 1.00 0.00 H new ATOM 1296 N ASN A 508 4.055 15.558 -0.165 1.00 0.00 N ATOM 1297 CA ASN A 508 3.851 16.365 1.032 1.00 0.00 C ATOM 1298 C ASN A 508 4.817 15.953 2.140 1.00 0.00 C ATOM 1299 O ASN A 508 4.427 15.813 3.299 1.00 0.00 O ATOM 1300 CB ASN A 508 2.407 16.233 1.521 1.00 0.00 C ATOM 1301 CG ASN A 508 1.881 17.521 2.124 1.00 0.00 C ATOM 1302 OD1 ASN A 508 2.598 18.519 2.208 1.00 0.00 O ATOM 1303 ND2 ASN A 508 0.623 17.505 2.548 1.00 0.00 N ATOM 0 H ASN A 508 4.285 16.094 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 508 4.047 17.406 0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.769 15.938 0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.349 15.437 2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 508 0.214 18.342 2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 508 0.065 16.656 2.459 1.00 0.00 H new ATOM 1310 N ASP A 509 6.082 15.759 1.773 1.00 0.00 N ATOM 1311 CA ASP A 509 7.111 15.362 2.733 1.00 0.00 C ATOM 1312 C ASP A 509 6.946 13.904 3.159 1.00 0.00 C ATOM 1313 O ASP A 509 7.581 13.454 4.112 1.00 0.00 O ATOM 1314 CB ASP A 509 7.077 16.271 3.964 1.00 0.00 C ATOM 1315 CG ASP A 509 8.463 16.584 4.491 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.273 15.642 4.631 1.00 0.00 O ATOM 1317 OD2 ASP A 509 8.741 17.771 4.764 1.00 0.00 O ATOM 0 H ASP A 509 6.420 15.870 0.817 1.00 0.00 H new ATOM 0 HA ASP A 509 8.077 15.465 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.569 17.202 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.492 15.792 4.750 1.00 0.00 H new ATOM 1322 N LYS A 510 6.096 13.167 2.449 1.00 0.00 N ATOM 1323 CA LYS A 510 5.859 11.761 2.759 1.00 0.00 C ATOM 1324 C LYS A 510 6.314 10.872 1.609 1.00 0.00 C ATOM 1325 O LYS A 510 5.939 11.094 0.461 1.00 0.00 O ATOM 1326 CB LYS A 510 4.377 11.517 3.043 1.00 0.00 C ATOM 1327 CG LYS A 510 4.107 10.194 3.740 1.00 0.00 C ATOM 1328 CD LYS A 510 4.068 10.356 5.252 1.00 0.00 C ATOM 1329 CE LYS A 510 5.367 10.938 5.786 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.353 11.056 7.271 1.00 0.00 N ATOM 0 H LYS A 510 5.561 13.520 1.656 1.00 0.00 H new ATOM 0 HA LYS A 510 6.437 11.510 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 510 3.994 12.330 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.825 11.544 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.158 9.786 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 510 4.881 9.475 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.237 11.006 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 510 3.884 9.388 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.201 10.306 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.533 11.921 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.256 11.457 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.573 11.679 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.220 10.115 7.693 1.00 0.00 H new ATOM 1344 N MET A 511 7.121 9.863 1.918 1.00 0.00 N ATOM 1345 CA MET A 511 7.611 8.956 0.888 1.00 0.00 C ATOM 1346 C MET A 511 6.452 8.205 0.239 1.00 0.00 C ATOM 1347 O MET A 511 5.848 7.326 0.849 1.00 0.00 O ATOM 1348 CB MET A 511 8.610 7.963 1.485 1.00 0.00 C ATOM 1349 CG MET A 511 10.050 8.447 1.437 1.00 0.00 C ATOM 1350 SD MET A 511 10.938 7.842 -0.011 1.00 0.00 S ATOM 1351 CE MET A 511 9.724 8.128 -1.296 1.00 0.00 C ATOM 0 H MET A 511 7.446 9.654 2.862 1.00 0.00 H new ATOM 0 HA MET A 511 8.115 9.547 0.123 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.337 7.764 2.521 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.535 7.017 0.948 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.063 9.537 1.437 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.569 8.122 2.339 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.174 7.938 -2.270 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.876 7.459 -1.151 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.382 9.162 -1.250 1.00 0.00 H new ATOM 1361 N HIS A 512 6.160 8.561 -1.006 1.00 0.00 N ATOM 1362 CA HIS A 512 5.086 7.940 -1.763 1.00 0.00 C ATOM 1363 C HIS A 512 5.616 7.336 -3.062 1.00 0.00 C ATOM 1364 O HIS A 512 6.299 8.009 -3.835 1.00 0.00 O ATOM 1365 CB HIS A 512 4.010 8.974 -2.104 1.00 0.00 C ATOM 1366 CG HIS A 512 3.100 9.326 -0.968 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.736 9.454 -1.113 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.363 9.597 0.331 1.00 0.00 C ATOM 1369 CE1 HIS A 512 1.200 9.789 0.045 1.00 0.00 C ATOM 1370 NE2 HIS A 512 2.165 9.883 0.939 1.00 0.00 N ATOM 0 H HIS A 512 6.662 9.288 -1.517 1.00 0.00 H new ATOM 0 HA HIS A 512 4.658 7.150 -1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.497 9.883 -2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.408 8.594 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.335 9.590 0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 512 0.149 9.958 0.230 1.00 0.00 H new ATOM 0 HE2 HIS A 512 2.042 10.128 1.921 1.00 0.00 H new ATOM 1379 N PHE A 513 5.280 6.078 -3.310 1.00 0.00 N ATOM 1380 CA PHE A 513 5.703 5.400 -4.530 1.00 0.00 C ATOM 1381 C PHE A 513 4.498 5.204 -5.444 1.00 0.00 C ATOM 1382 O PHE A 513 3.494 4.626 -5.035 1.00 0.00 O ATOM 1383 CB PHE A 513 6.349 4.052 -4.195 1.00 0.00 C ATOM 1384 CG PHE A 513 6.034 3.558 -2.810 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.779 3.057 -2.511 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.989 3.607 -1.808 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.480 2.613 -1.237 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.696 3.165 -0.532 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.439 2.667 -0.246 1.00 0.00 C ATOM 0 H PHE A 513 4.715 5.505 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 513 6.444 6.012 -5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.016 3.310 -4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.430 4.141 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 513 4.024 3.013 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.973 3.995 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.497 2.224 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.449 3.209 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.208 2.321 0.751 1.00 0.00 H new ATOM 1399 N SER A 514 4.580 5.708 -6.673 1.00 0.00 N ATOM 1400 CA SER A 514 3.460 5.592 -7.601 1.00 0.00 C ATOM 1401 C SER A 514 3.786 6.191 -8.967 1.00 0.00 C ATOM 1402 O SER A 514 4.793 6.878 -9.135 1.00 0.00 O ATOM 1403 CB SER A 514 2.235 6.288 -7.006 1.00 0.00 C ATOM 1404 OG SER A 514 1.223 5.353 -6.681 1.00 0.00 O ATOM 0 H SER A 514 5.397 6.193 -7.045 1.00 0.00 H new ATOM 0 HA SER A 514 3.254 4.532 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.525 6.839 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.846 7.017 -7.717 1.00 0.00 H new ATOM 0 HG SER A 514 1.056 5.374 -5.715 1.00 0.00 H new ATOM 1410 N LEU A 515 2.909 5.933 -9.934 1.00 0.00 N ATOM 1411 CA LEU A 515 3.069 6.447 -11.280 1.00 0.00 C ATOM 1412 C LEU A 515 1.953 7.430 -11.582 1.00 0.00 C ATOM 1413 O LEU A 515 0.988 7.531 -10.824 1.00 0.00 O ATOM 1414 CB LEU A 515 3.071 5.327 -12.326 1.00 0.00 C ATOM 1415 CG LEU A 515 1.813 4.466 -12.348 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.678 3.725 -13.669 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.847 3.493 -11.193 1.00 0.00 C ATOM 0 H LEU A 515 2.073 5.364 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 515 4.036 6.948 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.207 5.771 -13.312 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.931 4.683 -12.145 1.00 0.00 H new ATOM 0 HG LEU A 515 0.944 5.115 -12.245 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.772 3.119 -13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.621 4.445 -14.486 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.544 3.079 -13.814 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.947 2.878 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.726 2.854 -11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.893 4.044 -10.254 1.00 0.00 H new ATOM 1429 N LYS A 516 2.077 8.153 -12.682 1.00 0.00 N ATOM 1430 CA LYS A 516 1.058 9.117 -13.052 1.00 0.00 C ATOM 1431 C LYS A 516 0.756 9.065 -14.543 1.00 0.00 C ATOM 1432 O LYS A 516 1.552 9.513 -15.368 1.00 0.00 O ATOM 1433 CB LYS A 516 1.459 10.528 -12.630 1.00 0.00 C ATOM 1434 CG LYS A 516 2.827 10.591 -11.993 1.00 0.00 C ATOM 1435 CD LYS A 516 3.912 10.294 -13.008 1.00 0.00 C ATOM 1436 CE LYS A 516 5.060 9.515 -12.388 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.348 9.769 -13.092 1.00 0.00 N ATOM 0 H LYS A 516 2.864 8.092 -13.327 1.00 0.00 H new ATOM 0 HA LYS A 516 0.146 8.848 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.441 11.180 -13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.720 10.914 -11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.987 11.580 -11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.884 9.874 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.490 9.724 -13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.288 11.229 -13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.160 9.790 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.834 8.449 -12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.106 9.219 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.261 9.483 -14.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.577 10.782 -13.041 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.405 8.510 -14.879 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.827 8.391 -16.262 1.00 0.00 C ATOM 1453 C GLU A 517 -0.854 9.753 -16.949 1.00 0.00 C ATOM 1454 O GLU A 517 -0.775 9.790 -18.195 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.210 7.749 -16.317 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.199 8.343 -15.326 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.636 7.981 -15.648 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -5.284 8.737 -16.401 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -5.112 6.940 -15.148 1.00 0.00 O ATOM 1460 OXT GLU A 517 -0.956 10.773 -16.234 1.00 0.00 O ATOM 0 H GLU A 517 -1.071 8.135 -14.204 1.00 0.00 H new ATOM 0 HA GLU A 517 -0.110 7.763 -16.791 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.611 7.856 -17.325 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.113 6.681 -16.124 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -2.956 7.994 -14.322 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -3.094 9.428 -15.320 1.00 0.00 H new