USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=21 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 -123:sc= 0.803 USER MOD Set 1.2: A 471 LYS NZ :NH3+ -131:sc= -0.351 (180deg=-1.9) USER MOD Set 2.1: A 462 TYR OH : rot 173:sc= 0.501! USER MOD Set 2.2: A 476 LYS NZ :NH3+ -150:sc= 2.12 (180deg=1.05) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 464 THR OG1 : rot -58:sc= -0.356! USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -154:sc= -7.25! (180deg=-9.68!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.468 USER MOD Single : A 475 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0142) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.0011) USER MOD Single : A 489 THR OG1 : rot 99:sc= 1.12 USER MOD Single : A 491 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.058) USER MOD Single : A 495 GLN :FLIP amide:sc= -2.54 F(o=-4.3!,f=-2.5) USER MOD Single : A 498 LYS NZ :NH3+ 167:sc= -3.78! (180deg=-4.72!) USER MOD Single : A 501 ASN : amide:sc= -2.02 K(o=-2,f=-5.1!) USER MOD Single : A 505 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.531) USER MOD Single : A 506 MET CE :methyl -170:sc= -2.33! (180deg=-2.54!) USER MOD Single : A 508 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 171:sc= -2.84! (180deg=-3.33) USER MOD Single : A 512 HIS : no HE2:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 514 SER OG : rot 104:sc= -3.89! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -1.11 F(o=-3.9!,f=-1.1) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 1.609 -3.112 13.210 1.00 0.00 N ATOM 75 CA ASP B 587 2.263 -1.926 12.678 1.00 0.00 C ATOM 76 C ASP B 587 3.759 -2.113 12.443 1.00 0.00 C ATOM 77 O ASP B 587 4.331 -1.512 11.534 1.00 0.00 O ATOM 78 CB ASP B 587 2.031 -0.747 13.622 1.00 0.00 C ATOM 79 CG ASP B 587 1.097 0.292 13.034 1.00 0.00 C ATOM 80 OD1 ASP B 587 1.129 0.490 11.801 1.00 0.00 O ATOM 81 OD2 ASP B 587 0.332 0.908 13.806 1.00 0.00 O ATOM 0 HA ASP B 587 1.817 -1.731 11.703 1.00 0.00 H new ATOM 0 HB2 ASP B 587 1.616 -1.114 14.561 1.00 0.00 H new ATOM 0 HB3 ASP B 587 2.987 -0.280 13.857 1.00 0.00 H new ATOM 86 N ASP B 588 4.398 -2.913 13.278 1.00 0.00 N ATOM 87 CA ASP B 588 5.839 -3.130 13.163 1.00 0.00 C ATOM 88 C ASP B 588 6.234 -3.683 11.800 1.00 0.00 C ATOM 89 O ASP B 588 7.258 -3.294 11.240 1.00 0.00 O ATOM 90 CB ASP B 588 6.348 -4.051 14.275 1.00 0.00 C ATOM 91 CG ASP B 588 5.442 -5.240 14.513 1.00 0.00 C ATOM 92 OD1 ASP B 588 4.530 -5.466 13.693 1.00 0.00 O ATOM 93 OD2 ASP B 588 5.649 -5.945 15.523 1.00 0.00 O ATOM 0 H ASP B 588 3.950 -3.422 14.040 1.00 0.00 H new ATOM 0 HA ASP B 588 6.310 -2.153 13.271 1.00 0.00 H new ATOM 0 HB2 ASP B 588 7.346 -4.406 14.018 1.00 0.00 H new ATOM 0 HB3 ASP B 588 6.441 -3.480 15.199 1.00 0.00 H new ATOM 98 N HIS B 589 5.431 -4.591 11.272 1.00 0.00 N ATOM 99 CA HIS B 589 5.713 -5.192 9.987 1.00 0.00 C ATOM 100 C HIS B 589 5.301 -4.283 8.830 1.00 0.00 C ATOM 101 O HIS B 589 5.794 -4.433 7.713 1.00 0.00 O ATOM 102 CB HIS B 589 5.043 -6.559 9.880 1.00 0.00 C ATOM 103 CG HIS B 589 3.545 -6.549 9.929 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.637 -5.629 9.523 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.815 -7.609 10.423 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 1.392 -6.148 9.776 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.527 -7.343 10.318 1.00 0.00 N flip ATOM 0 H HIS B 589 4.577 -4.927 11.718 1.00 0.00 H new ATOM 0 HA HIS B 589 6.792 -5.329 9.914 1.00 0.00 H new ATOM 0 HB2 HIS B 589 5.355 -7.025 8.946 1.00 0.00 H new ATOM 0 HB3 HIS B 589 5.411 -7.189 10.689 1.00 0.00 H new ATOM 0 HD2 HIS B 589 3.233 -8.517 10.833 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.453 -5.657 9.565 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.765 -7.957 10.607 1.00 0.00 H new ATOM 116 N LEU B 590 4.399 -3.342 9.099 1.00 0.00 N ATOM 117 CA LEU B 590 3.935 -2.414 8.068 1.00 0.00 C ATOM 118 C LEU B 590 5.117 -1.813 7.315 1.00 0.00 C ATOM 119 O LEU B 590 5.011 -1.470 6.141 1.00 0.00 O ATOM 120 CB LEU B 590 3.083 -1.302 8.686 1.00 0.00 C ATOM 121 CG LEU B 590 2.838 -0.087 7.787 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.867 -0.429 6.667 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.321 1.082 8.610 1.00 0.00 C ATOM 0 H LEU B 590 3.976 -3.201 10.017 1.00 0.00 H new ATOM 0 HA LEU B 590 3.320 -2.972 7.362 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.119 -1.722 8.971 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.567 -0.963 9.602 1.00 0.00 H new ATOM 0 HG LEU B 590 3.786 0.202 7.333 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.709 0.450 6.042 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.280 -1.236 6.061 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.916 -0.746 7.094 1.00 0.00 H new ATOM 0 HD21 LEU B 590 2.151 1.939 7.958 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.385 0.802 9.092 1.00 0.00 H new ATOM 0 HD23 LEU B 590 3.056 1.345 9.371 1.00 0.00 H new ATOM 135 N ILE B 591 6.242 -1.685 8.001 1.00 0.00 N ATOM 136 CA ILE B 591 7.437 -1.135 7.395 1.00 0.00 C ATOM 137 C ILE B 591 8.224 -2.227 6.668 1.00 0.00 C ATOM 138 O ILE B 591 8.920 -1.958 5.688 1.00 0.00 O ATOM 139 CB ILE B 591 8.334 -0.444 8.444 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.589 0.738 9.071 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.642 0.023 7.814 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.386 1.455 10.139 1.00 0.00 C ATOM 0 H ILE B 591 6.349 -1.956 8.979 1.00 0.00 H new ATOM 0 HA ILE B 591 7.122 -0.384 6.671 1.00 0.00 H new ATOM 0 HB ILE B 591 8.574 -1.165 9.225 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.325 1.448 8.287 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.655 0.380 9.504 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.258 0.507 8.572 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.176 -0.835 7.406 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.428 0.731 7.014 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.798 2.281 10.539 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.627 0.759 10.942 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.308 1.843 9.706 1.00 0.00 H new ATOM 154 N TYR B 592 8.112 -3.461 7.163 1.00 0.00 N ATOM 155 CA TYR B 592 8.813 -4.600 6.573 1.00 0.00 C ATOM 156 C TYR B 592 8.379 -4.835 5.132 1.00 0.00 C ATOM 157 O TYR B 592 9.202 -5.097 4.258 1.00 0.00 O ATOM 158 CB TYR B 592 8.590 -5.863 7.426 1.00 0.00 C ATOM 159 CG TYR B 592 8.193 -7.090 6.630 1.00 0.00 C ATOM 160 CD1 TYR B 592 6.932 -7.183 6.060 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.083 -8.136 6.427 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.565 -8.279 5.313 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.722 -9.244 5.683 1.00 0.00 C ATOM 164 CZ TYR B 592 7.461 -9.310 5.127 1.00 0.00 C ATOM 165 OH TYR B 592 7.098 -10.407 4.381 1.00 0.00 O ATOM 0 H TYR B 592 7.540 -3.696 7.974 1.00 0.00 H new ATOM 0 HA TYR B 592 9.879 -4.371 6.560 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.505 -6.082 7.977 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.815 -5.657 8.164 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.225 -6.380 6.205 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.072 -8.083 6.857 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.579 -8.331 4.874 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.423 -10.053 5.538 1.00 0.00 H new ATOM 0 HH TYR B 592 7.845 -11.041 4.347 1.00 0.00 H new ATOM 175 N LEU B 593 7.085 -4.742 4.893 1.00 0.00 N ATOM 176 CA LEU B 593 6.553 -4.945 3.555 1.00 0.00 C ATOM 177 C LEU B 593 6.774 -3.693 2.715 1.00 0.00 C ATOM 178 O LEU B 593 6.708 -3.729 1.487 1.00 0.00 O ATOM 179 CB LEU B 593 5.070 -5.356 3.605 1.00 0.00 C ATOM 180 CG LEU B 593 4.035 -4.252 3.357 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.286 -3.075 4.273 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.033 -3.818 1.898 1.00 0.00 C ATOM 0 H LEU B 593 6.384 -4.528 5.602 1.00 0.00 H new ATOM 0 HA LEU B 593 7.088 -5.767 3.080 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.911 -6.142 2.867 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.872 -5.793 4.584 1.00 0.00 H new ATOM 0 HG LEU B 593 3.048 -4.656 3.582 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.542 -2.301 4.083 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.215 -3.400 5.311 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.282 -2.674 4.086 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.289 -3.034 1.752 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.019 -3.437 1.630 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.790 -4.671 1.265 1.00 0.00 H new ATOM 194 N GLU B 594 7.038 -2.583 3.389 1.00 0.00 N ATOM 195 CA GLU B 594 7.275 -1.325 2.712 1.00 0.00 C ATOM 196 C GLU B 594 8.525 -1.411 1.835 1.00 0.00 C ATOM 197 O GLU B 594 8.604 -0.777 0.784 1.00 0.00 O ATOM 198 CB GLU B 594 7.406 -0.193 3.745 1.00 0.00 C ATOM 199 CG GLU B 594 8.808 0.392 3.869 1.00 0.00 C ATOM 200 CD GLU B 594 8.876 1.533 4.866 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.817 2.120 5.168 1.00 0.00 O ATOM 202 OE2 GLU B 594 9.989 1.838 5.344 1.00 0.00 O ATOM 0 H GLU B 594 7.093 -2.532 4.406 1.00 0.00 H new ATOM 0 HA GLU B 594 6.427 -1.108 2.063 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.715 0.607 3.478 1.00 0.00 H new ATOM 0 HB3 GLU B 594 7.096 -0.570 4.720 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.500 -0.393 4.173 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.138 0.747 2.893 1.00 0.00 H new ATOM 209 N GLU B 595 9.505 -2.183 2.296 1.00 0.00 N ATOM 210 CA GLU B 595 10.768 -2.339 1.578 1.00 0.00 C ATOM 211 C GLU B 595 10.660 -3.304 0.405 1.00 0.00 C ATOM 212 O GLU B 595 11.121 -3.005 -0.696 1.00 0.00 O ATOM 213 CB GLU B 595 11.880 -2.782 2.534 1.00 0.00 C ATOM 214 CG GLU B 595 11.512 -3.965 3.410 1.00 0.00 C ATOM 215 CD GLU B 595 12.710 -4.550 4.132 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.775 -4.692 3.496 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.583 -4.865 5.335 1.00 0.00 O ATOM 0 H GLU B 595 9.449 -2.712 3.166 1.00 0.00 H new ATOM 0 HA GLU B 595 11.019 -1.362 1.165 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.765 -3.037 1.951 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.151 -1.941 3.173 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.768 -3.652 4.143 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.050 -4.738 2.796 1.00 0.00 H new ATOM 224 N ILE B 596 10.054 -4.456 0.637 1.00 0.00 N ATOM 225 CA ILE B 596 9.895 -5.457 -0.423 1.00 0.00 C ATOM 226 C ILE B 596 9.317 -4.833 -1.684 1.00 0.00 C ATOM 227 O ILE B 596 9.545 -5.314 -2.793 1.00 0.00 O ATOM 228 CB ILE B 596 9.007 -6.644 0.008 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.765 -6.154 0.746 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.787 -7.610 0.881 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.527 -6.130 -0.114 1.00 0.00 C ATOM 0 H ILE B 596 9.664 -4.727 1.540 1.00 0.00 H new ATOM 0 HA ILE B 596 10.895 -5.840 -0.627 1.00 0.00 H new ATOM 0 HB ILE B 596 8.689 -7.168 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.587 -6.797 1.608 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.951 -5.151 1.129 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.142 -8.439 1.173 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.642 -7.994 0.325 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.138 -7.092 1.773 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.682 -5.772 0.474 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.686 -5.465 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.316 -7.136 -0.476 1.00 0.00 H new ATOM 243 N LEU B 597 8.572 -3.756 -1.500 1.00 0.00 N ATOM 244 CA LEU B 597 7.959 -3.051 -2.611 1.00 0.00 C ATOM 245 C LEU B 597 8.983 -2.288 -3.422 1.00 0.00 C ATOM 246 O LEU B 597 9.431 -2.736 -4.477 1.00 0.00 O ATOM 247 CB LEU B 597 6.911 -2.071 -2.091 1.00 0.00 C ATOM 248 CG LEU B 597 6.526 -0.958 -3.076 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.924 -1.546 -4.339 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.565 0.021 -2.423 1.00 0.00 C ATOM 0 H LEU B 597 8.377 -3.349 -0.585 1.00 0.00 H new ATOM 0 HA LEU B 597 7.493 -3.797 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.013 -2.628 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.285 -1.613 -1.175 1.00 0.00 H new ATOM 0 HG LEU B 597 7.429 -0.415 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.658 -0.741 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.651 -2.203 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU B 597 5.031 -2.116 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.303 0.803 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.662 -0.506 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.040 0.469 -1.550 1.00 0.00 H new ATOM 262 N VAL B 598 9.308 -1.111 -2.928 1.00 0.00 N ATOM 263 CA VAL B 598 10.232 -0.232 -3.593 1.00 0.00 C ATOM 264 C VAL B 598 11.110 0.486 -2.587 1.00 0.00 C ATOM 265 O VAL B 598 11.541 1.617 -2.811 1.00 0.00 O ATOM 266 CB VAL B 598 9.476 0.809 -4.441 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.613 0.138 -5.503 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.624 1.696 -3.546 1.00 0.00 C ATOM 0 H VAL B 598 8.936 -0.742 -2.053 1.00 0.00 H new ATOM 0 HA VAL B 598 10.859 -0.841 -4.244 1.00 0.00 H new ATOM 0 HB VAL B 598 10.213 1.427 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL B 598 8.093 0.900 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.245 -0.454 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.883 -0.512 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.095 2.428 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.902 1.083 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.264 2.214 -2.832 1.00 0.00 H new ATOM 367 N VAL A 454 -8.685 -6.483 -2.214 1.00 0.00 N ATOM 368 CA VAL A 454 -7.348 -5.991 -2.511 1.00 0.00 C ATOM 369 C VAL A 454 -6.761 -6.709 -3.711 1.00 0.00 C ATOM 370 O VAL A 454 -6.433 -7.894 -3.644 1.00 0.00 O ATOM 371 CB VAL A 454 -6.411 -6.140 -1.296 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.951 -6.276 -1.717 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.596 -4.952 -0.383 1.00 0.00 C ATOM 0 HA VAL A 454 -7.437 -4.930 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.672 -7.056 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.325 -6.379 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.835 -7.157 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.649 -5.389 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.937 -5.050 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.354 -4.037 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.631 -4.911 -0.045 1.00 0.00 H new ATOM 383 N THR A 455 -6.640 -5.985 -4.812 1.00 0.00 N ATOM 384 CA THR A 455 -6.104 -6.561 -6.027 1.00 0.00 C ATOM 385 C THR A 455 -5.039 -5.689 -6.652 1.00 0.00 C ATOM 386 O THR A 455 -4.860 -4.528 -6.288 1.00 0.00 O ATOM 387 CB THR A 455 -7.226 -6.796 -7.022 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.996 -5.619 -7.200 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.152 -7.892 -6.566 1.00 0.00 C ATOM 0 H THR A 455 -6.905 -5.003 -4.886 1.00 0.00 H new ATOM 0 HA THR A 455 -5.636 -7.509 -5.762 1.00 0.00 H new ATOM 0 HB THR A 455 -6.754 -7.086 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.712 -5.791 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.942 -8.031 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.591 -8.820 -6.456 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.594 -7.619 -5.608 1.00 0.00 H new ATOM 397 N GLU A 456 -4.347 -6.272 -7.613 1.00 0.00 N ATOM 398 CA GLU A 456 -3.302 -5.588 -8.333 1.00 0.00 C ATOM 399 C GLU A 456 -3.873 -4.399 -9.089 1.00 0.00 C ATOM 400 O GLU A 456 -3.392 -3.273 -8.967 1.00 0.00 O ATOM 401 CB GLU A 456 -2.665 -6.563 -9.312 1.00 0.00 C ATOM 402 CG GLU A 456 -1.506 -7.349 -8.720 1.00 0.00 C ATOM 403 CD GLU A 456 -1.004 -8.431 -9.656 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.952 -8.181 -10.878 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.665 -9.528 -9.166 1.00 0.00 O ATOM 0 H GLU A 456 -4.498 -7.235 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.554 -5.222 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.425 -7.261 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.312 -6.012 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.689 -6.666 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.821 -7.803 -7.780 1.00 0.00 H new ATOM 412 N ASP A 457 -4.900 -4.678 -9.876 1.00 0.00 N ATOM 413 CA ASP A 457 -5.563 -3.657 -10.684 1.00 0.00 C ATOM 414 C ASP A 457 -6.167 -2.545 -9.829 1.00 0.00 C ATOM 415 O ASP A 457 -6.295 -1.406 -10.279 1.00 0.00 O ATOM 416 CB ASP A 457 -6.648 -4.297 -11.547 1.00 0.00 C ATOM 417 CG ASP A 457 -6.380 -4.137 -13.031 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.638 -4.968 -13.593 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.912 -3.178 -13.630 1.00 0.00 O ATOM 0 H ASP A 457 -5.298 -5.612 -9.975 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.804 -3.203 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.720 -5.358 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.612 -3.849 -11.305 1.00 0.00 H new ATOM 424 N ALA A 458 -6.543 -2.879 -8.604 1.00 0.00 N ATOM 425 CA ALA A 458 -7.142 -1.905 -7.695 1.00 0.00 C ATOM 426 C ALA A 458 -6.135 -0.845 -7.279 1.00 0.00 C ATOM 427 O ALA A 458 -6.475 0.329 -7.142 1.00 0.00 O ATOM 428 CB ALA A 458 -7.712 -2.598 -6.465 1.00 0.00 C ATOM 0 H ALA A 458 -6.445 -3.816 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.954 -1.411 -8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.153 -1.855 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.477 -3.311 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.914 -3.124 -5.941 1.00 0.00 H new ATOM 434 N VAL A 459 -4.895 -1.260 -7.069 1.00 0.00 N ATOM 435 CA VAL A 459 -3.859 -0.332 -6.664 1.00 0.00 C ATOM 436 C VAL A 459 -3.457 0.572 -7.819 1.00 0.00 C ATOM 437 O VAL A 459 -3.127 1.739 -7.619 1.00 0.00 O ATOM 438 CB VAL A 459 -2.625 -1.062 -6.112 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.651 -0.066 -5.506 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.044 -2.099 -5.081 1.00 0.00 C ATOM 0 H VAL A 459 -4.586 -2.227 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.274 0.281 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.124 -1.576 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.781 -0.597 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.333 0.643 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.139 0.472 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.160 -2.609 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.563 -1.606 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.709 -2.826 -5.546 1.00 0.00 H new ATOM 450 N ARG A 460 -3.515 0.036 -9.031 1.00 0.00 N ATOM 451 CA ARG A 460 -3.182 0.812 -10.225 1.00 0.00 C ATOM 452 C ARG A 460 -4.059 2.055 -10.287 1.00 0.00 C ATOM 453 O ARG A 460 -3.566 3.168 -10.463 1.00 0.00 O ATOM 454 CB ARG A 460 -3.385 -0.024 -11.494 1.00 0.00 C ATOM 455 CG ARG A 460 -2.849 -1.443 -11.394 1.00 0.00 C ATOM 456 CD ARG A 460 -1.396 -1.468 -10.948 1.00 0.00 C ATOM 457 NE ARG A 460 -0.513 -1.980 -11.993 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.419 -3.268 -12.319 1.00 0.00 C ATOM 459 NH1 ARG A 460 -1.150 -4.175 -11.684 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.410 -3.648 -13.282 1.00 0.00 N ATOM 0 H ARG A 460 -3.788 -0.929 -9.216 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.133 1.103 -10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.450 -0.064 -11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.898 0.479 -12.329 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.455 -2.012 -10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.940 -1.935 -12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.084 -0.461 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.301 -2.088 -10.057 1.00 0.00 H new ATOM 0 HE ARG A 460 0.065 -1.312 -12.503 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.788 -3.887 -10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.074 -5.160 -11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.975 -2.954 -13.772 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.483 -4.634 -13.533 1.00 0.00 H new ATOM 474 N ARG A 461 -5.364 1.851 -10.125 1.00 0.00 N ATOM 475 CA ARG A 461 -6.324 2.946 -10.150 1.00 0.00 C ATOM 476 C ARG A 461 -6.004 3.971 -9.062 1.00 0.00 C ATOM 477 O ARG A 461 -6.344 5.147 -9.188 1.00 0.00 O ATOM 478 CB ARG A 461 -7.752 2.400 -10.012 1.00 0.00 C ATOM 479 CG ARG A 461 -8.163 2.089 -8.589 1.00 0.00 C ATOM 480 CD ARG A 461 -9.626 2.417 -8.348 1.00 0.00 C ATOM 481 NE ARG A 461 -9.804 3.398 -7.280 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.911 4.116 -7.111 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.941 3.967 -7.934 1.00 0.00 N ATOM 484 NH2 ARG A 461 -10.989 4.988 -6.113 1.00 0.00 N ATOM 0 H ARG A 461 -5.780 0.932 -9.974 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.252 3.458 -11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.449 3.127 -10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.842 1.493 -10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.987 1.034 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.543 2.659 -7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.067 2.801 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -10.164 1.504 -8.093 1.00 0.00 H new ATOM 0 HE ARG A 461 -9.035 3.541 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.887 3.298 -8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.787 4.521 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -10.201 5.107 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.837 5.539 -5.982 1.00 0.00 H new ATOM 498 N TYR A 462 -5.327 3.523 -8.005 1.00 0.00 N ATOM 499 CA TYR A 462 -4.942 4.417 -6.920 1.00 0.00 C ATOM 500 C TYR A 462 -3.805 5.320 -7.377 1.00 0.00 C ATOM 501 O TYR A 462 -3.831 6.531 -7.165 1.00 0.00 O ATOM 502 CB TYR A 462 -4.505 3.626 -5.680 1.00 0.00 C ATOM 503 CG TYR A 462 -5.569 2.709 -5.111 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.894 2.803 -5.519 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.244 1.745 -4.161 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.863 1.967 -5.001 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.209 0.906 -3.639 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.517 1.020 -4.062 1.00 0.00 C ATOM 509 OH TYR A 462 -8.479 0.185 -3.544 1.00 0.00 O ATOM 0 H TYR A 462 -5.037 2.553 -7.880 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.809 5.022 -6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.629 3.030 -5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.198 4.329 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.171 3.544 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.221 1.652 -3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.888 2.055 -5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.940 0.163 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.053 -0.500 -2.987 1.00 0.00 H new ATOM 519 N LEU A 463 -2.808 4.709 -8.012 1.00 0.00 N ATOM 520 CA LEU A 463 -1.649 5.429 -8.512 1.00 0.00 C ATOM 521 C LEU A 463 -2.036 6.390 -9.628 1.00 0.00 C ATOM 522 O LEU A 463 -1.801 7.594 -9.530 1.00 0.00 O ATOM 523 CB LEU A 463 -0.601 4.444 -9.028 1.00 0.00 C ATOM 524 CG LEU A 463 -0.582 3.071 -8.346 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.663 2.297 -8.745 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.660 3.219 -6.832 1.00 0.00 C ATOM 0 H LEU A 463 -2.784 3.705 -8.192 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.233 6.007 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.764 4.296 -10.096 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.383 4.898 -8.915 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.457 2.512 -8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.661 1.325 -8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.673 2.156 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.550 2.854 -8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.645 2.232 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.193 3.799 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.584 3.732 -6.564 1.00 0.00 H new ATOM 538 N THR A 464 -2.633 5.851 -10.690 1.00 0.00 N ATOM 539 CA THR A 464 -3.052 6.667 -11.823 1.00 0.00 C ATOM 540 C THR A 464 -3.822 7.889 -11.344 1.00 0.00 C ATOM 541 O THR A 464 -3.831 8.932 -11.999 1.00 0.00 O ATOM 542 CB THR A 464 -3.913 5.849 -12.790 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.344 4.640 -12.189 1.00 0.00 O ATOM 544 CG2 THR A 464 -3.197 5.498 -14.076 1.00 0.00 C ATOM 0 H THR A 464 -2.836 4.856 -10.787 1.00 0.00 H new ATOM 0 HA THR A 464 -2.158 7.000 -12.350 1.00 0.00 H new ATOM 0 HB THR A 464 -4.762 6.489 -13.029 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.564 4.116 -11.913 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.862 4.919 -14.716 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.904 6.413 -14.591 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.308 4.909 -13.849 1.00 0.00 H new ATOM 552 N ARG A 465 -4.464 7.750 -10.193 1.00 0.00 N ATOM 553 CA ARG A 465 -5.232 8.832 -9.615 1.00 0.00 C ATOM 554 C ARG A 465 -4.348 9.716 -8.736 1.00 0.00 C ATOM 555 O ARG A 465 -4.568 10.922 -8.637 1.00 0.00 O ATOM 556 CB ARG A 465 -6.402 8.283 -8.800 1.00 0.00 C ATOM 557 CG ARG A 465 -7.558 9.261 -8.659 1.00 0.00 C ATOM 558 CD ARG A 465 -8.692 8.670 -7.838 1.00 0.00 C ATOM 559 NE ARG A 465 -9.700 9.670 -7.495 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.565 10.180 -8.368 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.548 9.787 -9.636 1.00 0.00 N ATOM 562 NH2 ARG A 465 -11.449 11.086 -7.973 1.00 0.00 N ATOM 0 H ARG A 465 -4.465 6.892 -9.642 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.626 9.439 -10.430 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.765 7.370 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.045 8.009 -7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.205 10.177 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.927 9.534 -9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.161 7.860 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.289 8.234 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 465 -9.743 9.996 -6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.870 9.091 -9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.213 10.181 -10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -11.466 11.392 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -12.112 11.477 -8.642 1.00 0.00 H new ATOM 576 N LYS A 466 -3.349 9.099 -8.096 1.00 0.00 N ATOM 577 CA LYS A 466 -2.421 9.803 -7.221 1.00 0.00 C ATOM 578 C LYS A 466 -1.563 8.812 -6.431 1.00 0.00 C ATOM 579 O LYS A 466 -1.974 7.678 -6.191 1.00 0.00 O ATOM 580 CB LYS A 466 -3.182 10.721 -6.270 1.00 0.00 C ATOM 581 CG LYS A 466 -2.841 12.198 -6.408 1.00 0.00 C ATOM 582 CD LYS A 466 -2.455 12.603 -7.830 1.00 0.00 C ATOM 583 CE LYS A 466 -0.950 12.757 -7.980 1.00 0.00 C ATOM 584 NZ LYS A 466 -0.596 13.817 -8.964 1.00 0.00 N ATOM 0 H LYS A 466 -3.166 8.099 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.760 10.410 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.251 10.591 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -2.980 10.409 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -3.697 12.792 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.018 12.438 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.816 11.853 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.945 13.542 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.512 12.999 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.518 11.808 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.439 13.891 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -0.993 13.574 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -0.987 14.728 -8.649 1.00 0.00 H new ATOM 598 N PRO A 467 -0.348 9.224 -6.028 1.00 0.00 N ATOM 599 CA PRO A 467 0.572 8.361 -5.280 1.00 0.00 C ATOM 600 C PRO A 467 0.058 7.974 -3.898 1.00 0.00 C ATOM 601 O PRO A 467 -0.898 8.557 -3.388 1.00 0.00 O ATOM 602 CB PRO A 467 1.850 9.195 -5.180 1.00 0.00 C ATOM 603 CG PRO A 467 1.389 10.599 -5.327 1.00 0.00 C ATOM 604 CD PRO A 467 0.233 10.551 -6.282 1.00 0.00 C ATOM 0 HA PRO A 467 0.712 7.404 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.352 9.040 -4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.561 8.927 -5.961 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.085 11.014 -4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.187 11.235 -5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.484 11.349 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.559 10.658 -7.317 1.00 0.00 H new ATOM 612 N MET A 468 0.700 6.966 -3.310 1.00 0.00 N ATOM 613 CA MET A 468 0.315 6.466 -1.994 1.00 0.00 C ATOM 614 C MET A 468 1.454 5.698 -1.336 1.00 0.00 C ATOM 615 O MET A 468 2.282 5.088 -2.012 1.00 0.00 O ATOM 616 CB MET A 468 -0.903 5.538 -2.108 1.00 0.00 C ATOM 617 CG MET A 468 -0.573 4.130 -2.597 1.00 0.00 C ATOM 618 SD MET A 468 0.475 4.115 -4.068 1.00 0.00 S ATOM 619 CE MET A 468 1.585 2.759 -3.691 1.00 0.00 C ATOM 0 H MET A 468 1.493 6.478 -3.728 1.00 0.00 H new ATOM 0 HA MET A 468 0.068 7.332 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.385 5.468 -1.133 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.626 5.987 -2.789 1.00 0.00 H new ATOM 0 HG2 MET A 468 -0.074 3.582 -1.798 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.501 3.601 -2.814 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.527 2.902 -4.220 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.773 2.730 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.131 1.819 -4.005 1.00 0.00 H new ATOM 629 N THR A 469 1.454 5.688 -0.010 1.00 0.00 N ATOM 630 CA THR A 469 2.449 4.944 0.743 1.00 0.00 C ATOM 631 C THR A 469 1.840 3.599 1.125 1.00 0.00 C ATOM 632 O THR A 469 0.618 3.477 1.192 1.00 0.00 O ATOM 633 CB THR A 469 2.866 5.704 2.003 1.00 0.00 C ATOM 634 OG1 THR A 469 1.869 5.598 3.005 1.00 0.00 O ATOM 635 CG2 THR A 469 3.119 7.174 1.763 1.00 0.00 C ATOM 0 H THR A 469 0.775 6.187 0.565 1.00 0.00 H new ATOM 0 HA THR A 469 3.341 4.804 0.132 1.00 0.00 H new ATOM 0 HB THR A 469 3.800 5.241 2.322 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.154 6.089 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.411 7.651 2.699 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.919 7.291 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.210 7.643 1.385 1.00 0.00 H new ATOM 643 N THR A 470 2.666 2.588 1.370 1.00 0.00 N ATOM 644 CA THR A 470 2.139 1.275 1.733 1.00 0.00 C ATOM 645 C THR A 470 1.142 1.388 2.872 1.00 0.00 C ATOM 646 O THR A 470 0.056 0.812 2.822 1.00 0.00 O ATOM 647 CB THR A 470 3.262 0.310 2.101 1.00 0.00 C ATOM 648 OG1 THR A 470 4.477 1.002 2.312 1.00 0.00 O ATOM 649 CG2 THR A 470 3.503 -0.731 1.033 1.00 0.00 C ATOM 0 H THR A 470 3.683 2.647 1.326 1.00 0.00 H new ATOM 0 HA THR A 470 1.622 0.875 0.861 1.00 0.00 H new ATOM 0 HB THR A 470 2.938 -0.186 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.165 0.645 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.312 -1.392 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.595 -1.315 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 470 3.776 -0.238 0.100 1.00 0.00 H new ATOM 657 N LYS A 471 1.509 2.152 3.883 1.00 0.00 N ATOM 658 CA LYS A 471 0.638 2.364 5.030 1.00 0.00 C ATOM 659 C LYS A 471 -0.676 2.988 4.579 1.00 0.00 C ATOM 660 O LYS A 471 -1.755 2.474 4.868 1.00 0.00 O ATOM 661 CB LYS A 471 1.317 3.270 6.061 1.00 0.00 C ATOM 662 CG LYS A 471 2.780 2.935 6.305 1.00 0.00 C ATOM 663 CD LYS A 471 3.702 3.852 5.521 1.00 0.00 C ATOM 664 CE LYS A 471 4.890 3.096 4.949 1.00 0.00 C ATOM 665 NZ LYS A 471 4.981 3.244 3.471 1.00 0.00 N ATOM 0 H LYS A 471 2.404 2.638 3.936 1.00 0.00 H new ATOM 0 HA LYS A 471 0.436 1.398 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.242 4.305 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.776 3.200 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.001 3.020 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.969 1.900 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.145 4.322 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.058 4.652 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.809 3.462 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.805 2.040 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.104 2.308 3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.108 3.681 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.794 3.847 3.232 1.00 0.00 H new ATOM 679 N ASP A 472 -0.569 4.100 3.861 1.00 0.00 N ATOM 680 CA ASP A 472 -1.741 4.808 3.360 1.00 0.00 C ATOM 681 C ASP A 472 -2.561 3.937 2.407 1.00 0.00 C ATOM 682 O ASP A 472 -3.785 4.051 2.354 1.00 0.00 O ATOM 683 CB ASP A 472 -1.315 6.096 2.654 1.00 0.00 C ATOM 684 CG ASP A 472 -2.500 6.909 2.168 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.587 6.793 2.771 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.338 7.661 1.184 1.00 0.00 O ATOM 0 H ASP A 472 0.321 4.532 3.612 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.371 5.054 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.718 6.701 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.676 5.848 1.806 1.00 0.00 H new ATOM 691 N LEU A 473 -1.886 3.076 1.649 1.00 0.00 N ATOM 692 CA LEU A 473 -2.571 2.204 0.699 1.00 0.00 C ATOM 693 C LEU A 473 -3.364 1.117 1.411 1.00 0.00 C ATOM 694 O LEU A 473 -4.483 0.791 1.020 1.00 0.00 O ATOM 695 CB LEU A 473 -1.575 1.575 -0.270 1.00 0.00 C ATOM 696 CG LEU A 473 -2.072 1.453 -1.710 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.909 1.186 -2.649 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.112 0.349 -1.821 1.00 0.00 C ATOM 0 H LEU A 473 -0.872 2.964 1.674 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.272 2.821 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.661 2.168 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.313 0.582 0.094 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.539 2.395 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.279 1.102 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.196 2.008 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.417 0.256 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.456 0.275 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.669 -0.600 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.957 0.579 -1.173 1.00 0.00 H new ATOM 710 N LEU A 474 -2.769 0.554 2.450 1.00 0.00 N ATOM 711 CA LEU A 474 -3.415 -0.508 3.217 1.00 0.00 C ATOM 712 C LEU A 474 -4.353 0.048 4.286 1.00 0.00 C ATOM 713 O LEU A 474 -5.388 -0.550 4.583 1.00 0.00 O ATOM 714 CB LEU A 474 -2.382 -1.424 3.870 1.00 0.00 C ATOM 715 CG LEU A 474 -1.365 -0.705 4.740 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.766 -0.779 6.207 1.00 0.00 C ATOM 717 CD2 LEU A 474 0.026 -1.284 4.529 1.00 0.00 C ATOM 0 H LEU A 474 -1.840 0.812 2.784 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.008 -1.086 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.903 -2.164 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.853 -1.969 3.089 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.344 0.345 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.025 -0.258 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.740 -0.309 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.820 -1.823 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.740 -0.756 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 474 0.023 -2.342 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.313 -1.170 3.484 1.00 0.00 H new ATOM 729 N LYS A 475 -3.986 1.185 4.873 1.00 0.00 N ATOM 730 CA LYS A 475 -4.796 1.805 5.919 1.00 0.00 C ATOM 731 C LYS A 475 -6.261 1.906 5.503 1.00 0.00 C ATOM 732 O LYS A 475 -7.159 1.837 6.342 1.00 0.00 O ATOM 733 CB LYS A 475 -4.251 3.193 6.261 1.00 0.00 C ATOM 734 CG LYS A 475 -3.407 3.216 7.527 1.00 0.00 C ATOM 735 CD LYS A 475 -1.986 3.673 7.241 1.00 0.00 C ATOM 736 CE LYS A 475 -1.397 4.432 8.420 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.938 5.815 8.515 1.00 0.00 N ATOM 0 H LYS A 475 -3.134 1.695 4.642 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.739 1.170 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.651 3.555 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.086 3.884 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.864 3.882 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.388 2.221 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.363 2.808 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.979 4.310 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.613 3.894 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.312 4.472 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.427 6.337 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.816 6.299 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.950 5.776 8.754 1.00 0.00 H new ATOM 751 N LYS A 476 -6.495 2.075 4.208 1.00 0.00 N ATOM 752 CA LYS A 476 -7.852 2.188 3.689 1.00 0.00 C ATOM 753 C LYS A 476 -8.497 0.813 3.522 1.00 0.00 C ATOM 754 O LYS A 476 -9.703 0.659 3.712 1.00 0.00 O ATOM 755 CB LYS A 476 -7.865 2.945 2.358 1.00 0.00 C ATOM 756 CG LYS A 476 -6.732 2.559 1.425 1.00 0.00 C ATOM 757 CD LYS A 476 -7.206 2.451 -0.014 1.00 0.00 C ATOM 758 CE LYS A 476 -7.422 1.002 -0.420 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.782 0.776 -0.984 1.00 0.00 N ATOM 0 H LYS A 476 -5.764 2.137 3.499 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.437 2.752 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.815 2.763 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.810 4.015 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.936 3.301 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.308 1.606 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -8.136 3.007 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.472 2.910 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.672 0.717 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.278 0.357 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.085 -0.198 -0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -9.452 1.444 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.760 0.924 -2.013 1.00 0.00 H new ATOM 773 N PHE A 477 -7.688 -0.187 3.173 1.00 0.00 N ATOM 774 CA PHE A 477 -8.179 -1.544 2.990 1.00 0.00 C ATOM 775 C PHE A 477 -8.472 -2.228 4.326 1.00 0.00 C ATOM 776 O PHE A 477 -8.761 -3.424 4.362 1.00 0.00 O ATOM 777 CB PHE A 477 -7.146 -2.361 2.225 1.00 0.00 C ATOM 778 CG PHE A 477 -7.180 -2.150 0.741 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.359 -2.295 0.028 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.026 -1.812 0.060 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.384 -2.103 -1.340 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.044 -1.620 -1.304 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.223 -1.765 -2.008 1.00 0.00 C ATOM 0 H PHE A 477 -6.687 -0.078 3.012 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.111 -1.487 2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.152 -2.109 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.306 -3.419 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.268 -2.561 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.100 -1.697 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.309 -2.217 -1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.135 -1.356 -1.823 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.237 -1.615 -3.077 1.00 0.00 H new ATOM 889 N LEU A 484 -11.050 -7.614 6.383 1.00 0.00 N ATOM 890 CA LEU A 484 -9.699 -8.134 6.386 1.00 0.00 C ATOM 891 C LEU A 484 -8.835 -7.407 7.405 1.00 0.00 C ATOM 892 O LEU A 484 -8.644 -6.194 7.323 1.00 0.00 O ATOM 893 CB LEU A 484 -9.090 -8.002 4.989 1.00 0.00 C ATOM 894 CG LEU A 484 -7.779 -8.757 4.772 1.00 0.00 C ATOM 895 CD1 LEU A 484 -7.939 -10.221 5.147 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.327 -8.618 3.327 1.00 0.00 C ATOM 0 HA LEU A 484 -9.737 -9.187 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -9.818 -8.355 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -8.919 -6.945 4.784 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.015 -8.323 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -6.996 -10.743 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.222 -10.299 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -8.714 -10.673 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.392 -9.160 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.090 -9.030 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -7.175 -7.564 3.093 1.00 0.00 H new ATOM 908 N SER A 485 -8.316 -8.165 8.365 1.00 0.00 N ATOM 909 CA SER A 485 -7.462 -7.615 9.416 1.00 0.00 C ATOM 910 C SER A 485 -6.485 -6.581 8.868 1.00 0.00 C ATOM 911 O SER A 485 -5.967 -6.731 7.761 1.00 0.00 O ATOM 912 CB SER A 485 -6.676 -8.734 10.090 1.00 0.00 C ATOM 913 OG SER A 485 -6.864 -8.720 11.494 1.00 0.00 O ATOM 0 H SER A 485 -8.473 -9.170 8.438 1.00 0.00 H new ATOM 0 HA SER A 485 -8.113 -7.124 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.992 -9.697 9.688 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.616 -8.626 9.862 1.00 0.00 H new ATOM 0 HG SER A 485 -6.350 -9.449 11.900 1.00 0.00 H new ATOM 919 N SER A 486 -6.220 -5.546 9.656 1.00 0.00 N ATOM 920 CA SER A 486 -5.283 -4.509 9.250 1.00 0.00 C ATOM 921 C SER A 486 -3.906 -5.117 9.005 1.00 0.00 C ATOM 922 O SER A 486 -3.083 -4.552 8.284 1.00 0.00 O ATOM 923 CB SER A 486 -5.194 -3.419 10.320 1.00 0.00 C ATOM 924 OG SER A 486 -5.057 -2.137 9.731 1.00 0.00 O ATOM 0 H SER A 486 -6.639 -5.404 10.575 1.00 0.00 H new ATOM 0 HA SER A 486 -5.642 -4.058 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 486 -6.088 -3.443 10.943 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.344 -3.615 10.974 1.00 0.00 H new ATOM 0 HG SER A 486 -5.004 -1.457 10.435 1.00 0.00 H new ATOM 930 N GLU A 487 -3.671 -6.280 9.608 1.00 0.00 N ATOM 931 CA GLU A 487 -2.410 -6.986 9.466 1.00 0.00 C ATOM 932 C GLU A 487 -2.390 -7.801 8.184 1.00 0.00 C ATOM 933 O GLU A 487 -1.474 -7.683 7.369 1.00 0.00 O ATOM 934 CB GLU A 487 -2.176 -7.900 10.670 1.00 0.00 C ATOM 935 CG GLU A 487 -2.470 -7.234 12.004 1.00 0.00 C ATOM 936 CD GLU A 487 -1.790 -7.933 13.166 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.556 -8.120 13.106 1.00 0.00 O ATOM 938 OE2 GLU A 487 -2.491 -8.292 14.135 1.00 0.00 O ATOM 0 H GLU A 487 -4.349 -6.754 10.205 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.610 -6.248 9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.802 -8.787 10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -1.140 -8.239 10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.142 -6.195 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.547 -7.223 12.171 1.00 0.00 H new ATOM 945 N GLN A 488 -3.411 -8.624 8.011 1.00 0.00 N ATOM 946 CA GLN A 488 -3.525 -9.457 6.826 1.00 0.00 C ATOM 947 C GLN A 488 -3.668 -8.584 5.589 1.00 0.00 C ATOM 948 O GLN A 488 -3.091 -8.873 4.541 1.00 0.00 O ATOM 949 CB GLN A 488 -4.713 -10.412 6.946 1.00 0.00 C ATOM 950 CG GLN A 488 -4.311 -11.832 7.306 1.00 0.00 C ATOM 951 CD GLN A 488 -5.384 -12.847 6.968 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.860 -13.577 7.836 1.00 0.00 O ATOM 953 NE2 GLN A 488 -5.772 -12.898 5.699 1.00 0.00 N ATOM 0 H GLN A 488 -4.175 -8.733 8.678 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.618 -10.055 6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.399 -10.033 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.257 -10.425 6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.393 -12.090 6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -4.091 -11.884 8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.350 -12.274 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.492 -13.561 5.412 1.00 0.00 H new ATOM 962 N THR A 489 -4.422 -7.495 5.725 1.00 0.00 N ATOM 963 CA THR A 489 -4.614 -6.561 4.624 1.00 0.00 C ATOM 964 C THR A 489 -3.260 -6.160 4.054 1.00 0.00 C ATOM 965 O THR A 489 -3.126 -5.886 2.862 1.00 0.00 O ATOM 966 CB THR A 489 -5.373 -5.320 5.097 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.644 -5.676 5.611 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.591 -4.297 4.003 1.00 0.00 C ATOM 0 H THR A 489 -4.908 -7.240 6.585 1.00 0.00 H new ATOM 0 HA THR A 489 -5.204 -7.048 3.848 1.00 0.00 H new ATOM 0 HB THR A 489 -4.745 -4.874 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.601 -5.720 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.135 -3.443 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.627 -3.964 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.169 -4.746 3.195 1.00 0.00 H new ATOM 976 N VAL A 490 -2.254 -6.153 4.924 1.00 0.00 N ATOM 977 CA VAL A 490 -0.892 -5.810 4.529 1.00 0.00 C ATOM 978 C VAL A 490 -0.231 -7.001 3.846 1.00 0.00 C ATOM 979 O VAL A 490 0.436 -6.859 2.821 1.00 0.00 O ATOM 980 CB VAL A 490 -0.044 -5.402 5.745 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.226 -4.693 5.306 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.853 -4.527 6.691 1.00 0.00 C ATOM 0 H VAL A 490 -2.358 -6.382 5.912 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.950 -4.967 3.841 1.00 0.00 H new ATOM 0 HB VAL A 490 0.244 -6.307 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.809 -4.414 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.815 -5.359 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 490 0.966 -3.796 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.236 -4.248 7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.176 -3.627 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.727 -5.078 7.039 1.00 0.00 H new ATOM 992 N ASN A 491 -0.439 -8.177 4.427 1.00 0.00 N ATOM 993 CA ASN A 491 0.114 -9.414 3.891 1.00 0.00 C ATOM 994 C ASN A 491 -0.342 -9.626 2.448 1.00 0.00 C ATOM 995 O ASN A 491 0.331 -10.293 1.663 1.00 0.00 O ATOM 996 CB ASN A 491 -0.319 -10.590 4.778 1.00 0.00 C ATOM 997 CG ASN A 491 -0.235 -11.933 4.076 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.830 -12.344 3.616 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.368 -12.622 3.993 1.00 0.00 N ATOM 0 H ASN A 491 -0.991 -8.299 5.276 1.00 0.00 H new ATOM 0 HA ASN A 491 1.202 -9.351 3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.308 -10.614 5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.343 -10.426 5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.379 -13.532 3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.227 -12.241 4.389 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.491 -9.049 2.111 1.00 0.00 N ATOM 1007 CA VAL A 492 -2.045 -9.165 0.769 1.00 0.00 C ATOM 1008 C VAL A 492 -1.774 -7.907 -0.054 1.00 0.00 C ATOM 1009 O VAL A 492 -1.933 -7.907 -1.270 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.565 -9.415 0.819 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.267 -8.278 1.545 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.130 -9.595 -0.584 1.00 0.00 C ATOM 0 H VAL A 492 -2.058 -8.494 2.753 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.554 -10.014 0.293 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.744 -10.336 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.340 -8.470 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.886 -8.207 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.079 -7.341 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.204 -9.770 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.941 -8.696 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.650 -10.448 -1.063 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.362 -6.834 0.611 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.074 -5.589 -0.075 1.00 0.00 C ATOM 1024 C LEU A 493 0.386 -5.550 -0.519 1.00 0.00 C ATOM 1025 O LEU A 493 0.710 -5.046 -1.594 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.386 -4.392 0.837 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.466 -3.018 0.149 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.751 -3.152 -1.341 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -2.526 -2.152 0.810 1.00 0.00 C ATOM 0 H LEU A 493 -1.222 -6.805 1.621 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.707 -5.527 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.336 -4.581 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.621 -4.343 1.612 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.494 -2.538 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.800 -2.161 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.955 -3.727 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.702 -3.664 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.569 -1.184 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.496 -2.643 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.274 -2.007 1.861 1.00 0.00 H new ATOM 1041 N ALA A 494 1.262 -6.096 0.317 1.00 0.00 N ATOM 1042 CA ALA A 494 2.689 -6.133 0.019 1.00 0.00 C ATOM 1043 C ALA A 494 2.959 -6.800 -1.324 1.00 0.00 C ATOM 1044 O ALA A 494 3.824 -6.365 -2.083 1.00 0.00 O ATOM 1045 CB ALA A 494 3.433 -6.868 1.126 1.00 0.00 C ATOM 0 H ALA A 494 1.008 -6.520 1.209 1.00 0.00 H new ATOM 0 HA ALA A 494 3.048 -5.105 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.498 -6.891 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.278 -6.352 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.056 -7.888 1.203 1.00 0.00 H new ATOM 1051 N GLN A 495 2.224 -7.870 -1.602 1.00 0.00 N ATOM 1052 CA GLN A 495 2.386 -8.617 -2.839 1.00 0.00 C ATOM 1053 C GLN A 495 2.031 -7.780 -4.069 1.00 0.00 C ATOM 1054 O GLN A 495 2.708 -7.854 -5.095 1.00 0.00 O ATOM 1055 CB GLN A 495 1.528 -9.880 -2.796 1.00 0.00 C ATOM 1056 CG GLN A 495 0.166 -9.667 -2.176 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.967 -10.139 -3.067 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.950 -9.274 -3.275 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.956 -11.266 -3.562 1.00 0.00 N flip ATOM 0 H GLN A 495 1.505 -8.240 -0.981 1.00 0.00 H new ATOM 0 HA GLN A 495 3.438 -8.889 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.401 -10.257 -3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.057 -10.649 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.118 -10.197 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.033 -8.607 -1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.178 -11.898 -3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.725 -11.568 -4.160 1.00 0.00 H new ATOM 1068 N ILE A 496 0.959 -7.005 -3.968 1.00 0.00 N ATOM 1069 CA ILE A 496 0.502 -6.176 -5.079 1.00 0.00 C ATOM 1070 C ILE A 496 1.377 -4.938 -5.287 1.00 0.00 C ATOM 1071 O ILE A 496 1.728 -4.605 -6.419 1.00 0.00 O ATOM 1072 CB ILE A 496 -0.959 -5.721 -4.868 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.924 -6.875 -5.134 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.290 -4.538 -5.766 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.160 -6.842 -4.263 1.00 0.00 C ATOM 0 H ILE A 496 0.387 -6.932 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 496 0.573 -6.802 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.070 -5.407 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.226 -6.851 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.402 -7.819 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.324 -4.234 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.625 -3.706 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.158 -4.825 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.799 -7.690 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.868 -6.897 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.705 -5.915 -4.440 1.00 0.00 H new ATOM 1087 N LEU A 497 1.696 -4.248 -4.196 1.00 0.00 N ATOM 1088 CA LEU A 497 2.494 -3.027 -4.246 1.00 0.00 C ATOM 1089 C LEU A 497 3.589 -3.079 -5.317 1.00 0.00 C ATOM 1090 O LEU A 497 3.623 -2.241 -6.218 1.00 0.00 O ATOM 1091 CB LEU A 497 3.115 -2.772 -2.874 1.00 0.00 C ATOM 1092 CG LEU A 497 2.362 -1.781 -1.981 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.249 -0.409 -2.634 1.00 0.00 C ATOM 1094 CD2 LEU A 497 0.988 -2.316 -1.639 1.00 0.00 C ATOM 0 H LEU A 497 1.410 -4.518 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 497 1.826 -2.209 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 497 3.191 -3.723 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.131 -2.405 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 497 2.936 -1.664 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.709 0.266 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 497 3.247 -0.012 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.711 -0.498 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.466 -1.600 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.419 -2.470 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.088 -3.264 -1.110 1.00 0.00 H new ATOM 1106 N LYS A 498 4.492 -4.047 -5.202 1.00 0.00 N ATOM 1107 CA LYS A 498 5.597 -4.180 -6.151 1.00 0.00 C ATOM 1108 C LYS A 498 5.099 -4.389 -7.572 1.00 0.00 C ATOM 1109 O LYS A 498 5.752 -3.985 -8.534 1.00 0.00 O ATOM 1110 CB LYS A 498 6.516 -5.332 -5.746 1.00 0.00 C ATOM 1111 CG LYS A 498 5.853 -6.700 -5.815 1.00 0.00 C ATOM 1112 CD LYS A 498 5.272 -7.116 -4.472 1.00 0.00 C ATOM 1113 CE LYS A 498 6.323 -7.065 -3.367 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.025 -8.028 -2.271 1.00 0.00 N ATOM 0 H LYS A 498 4.483 -4.751 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 498 6.159 -3.246 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.392 -5.330 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.871 -5.161 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 498 5.061 -6.682 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.583 -7.441 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.441 -6.459 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.869 -8.126 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.303 -7.287 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.372 -6.055 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.859 -8.124 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.221 -7.679 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.786 -8.955 -2.678 1.00 0.00 H new ATOM 1128 N ARG A 499 3.943 -5.014 -7.701 1.00 0.00 N ATOM 1129 CA ARG A 499 3.360 -5.270 -9.012 1.00 0.00 C ATOM 1130 C ARG A 499 3.103 -3.962 -9.754 1.00 0.00 C ATOM 1131 O ARG A 499 3.040 -3.933 -10.984 1.00 0.00 O ATOM 1132 CB ARG A 499 2.054 -6.048 -8.866 1.00 0.00 C ATOM 1133 CG ARG A 499 1.765 -6.965 -10.041 1.00 0.00 C ATOM 1134 CD ARG A 499 1.948 -8.426 -9.664 1.00 0.00 C ATOM 1135 NE ARG A 499 1.536 -9.326 -10.739 1.00 0.00 N ATOM 1136 CZ ARG A 499 1.810 -10.627 -10.762 1.00 0.00 C ATOM 1137 NH1 ARG A 499 2.496 -11.187 -9.772 1.00 0.00 N ATOM 1138 NH2 ARG A 499 1.397 -11.374 -11.778 1.00 0.00 N ATOM 0 H ARG A 499 3.387 -5.355 -6.917 1.00 0.00 H new ATOM 0 HA ARG A 499 4.068 -5.864 -9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 499 2.093 -6.641 -7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.230 -5.343 -8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.745 -6.803 -10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 499 2.428 -6.716 -10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 499 2.994 -8.609 -9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 499 1.368 -8.644 -8.767 1.00 0.00 H new ATOM 0 HE ARG A 499 1.007 -8.933 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 499 2.816 -10.618 -8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 499 2.703 -12.186 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 499 0.869 -10.950 -12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 499 1.607 -12.372 -11.796 1.00 0.00 H new ATOM 1152 N LEU A 500 2.951 -2.887 -8.993 1.00 0.00 N ATOM 1153 CA LEU A 500 2.692 -1.569 -9.559 1.00 0.00 C ATOM 1154 C LEU A 500 3.825 -1.114 -10.465 1.00 0.00 C ATOM 1155 O LEU A 500 3.594 -0.630 -11.573 1.00 0.00 O ATOM 1156 CB LEU A 500 2.490 -0.556 -8.433 1.00 0.00 C ATOM 1157 CG LEU A 500 1.374 -0.912 -7.453 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.406 0.009 -6.240 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.024 -0.846 -8.153 1.00 0.00 C ATOM 0 H LEU A 500 3.003 -2.902 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 500 1.788 -1.635 -10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.424 -0.456 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.274 0.418 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 500 1.530 -1.931 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.602 -0.263 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.365 -0.092 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.273 1.041 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.765 -1.101 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.141 0.163 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.010 -1.552 -8.983 1.00 0.00 H new ATOM 1171 N ASN A 501 5.043 -1.260 -9.980 1.00 0.00 N ATOM 1172 CA ASN A 501 6.219 -0.854 -10.728 1.00 0.00 C ATOM 1173 C ASN A 501 6.137 0.634 -11.061 1.00 0.00 C ATOM 1174 O ASN A 501 6.146 1.026 -12.228 1.00 0.00 O ATOM 1175 CB ASN A 501 6.329 -1.689 -12.001 1.00 0.00 C ATOM 1176 CG ASN A 501 7.541 -1.343 -12.836 1.00 0.00 C ATOM 1177 OD1 ASN A 501 8.114 -0.260 -12.714 1.00 0.00 O ATOM 1178 ND2 ASN A 501 7.942 -2.275 -13.687 1.00 0.00 N ATOM 0 H ASN A 501 5.245 -1.660 -9.064 1.00 0.00 H new ATOM 0 HA ASN A 501 7.111 -1.020 -10.123 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.369 -2.745 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.430 -1.546 -12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 501 8.758 -2.110 -14.276 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.435 -3.158 -13.753 1.00 0.00 H new ATOM 1185 N PRO A 502 6.045 1.483 -10.023 1.00 0.00 N ATOM 1186 CA PRO A 502 5.951 2.919 -10.158 1.00 0.00 C ATOM 1187 C PRO A 502 7.285 3.591 -9.883 1.00 0.00 C ATOM 1188 O PRO A 502 8.336 2.952 -9.927 1.00 0.00 O ATOM 1189 CB PRO A 502 4.949 3.260 -9.053 1.00 0.00 C ATOM 1190 CG PRO A 502 5.145 2.205 -8.001 1.00 0.00 C ATOM 1191 CD PRO A 502 6.016 1.125 -8.605 1.00 0.00 C ATOM 0 HA PRO A 502 5.662 3.248 -11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.132 4.256 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.927 3.252 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.617 2.629 -7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.186 1.794 -7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 502 7.015 1.121 -8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.595 0.132 -8.448 1.00 0.00 H new ATOM 1199 N GLU A 503 7.234 4.876 -9.578 1.00 0.00 N ATOM 1200 CA GLU A 503 8.425 5.631 -9.269 1.00 0.00 C ATOM 1201 C GLU A 503 8.309 6.211 -7.868 1.00 0.00 C ATOM 1202 O GLU A 503 7.236 6.659 -7.465 1.00 0.00 O ATOM 1203 CB GLU A 503 8.633 6.733 -10.299 1.00 0.00 C ATOM 1204 CG GLU A 503 9.786 6.458 -11.247 1.00 0.00 C ATOM 1205 CD GLU A 503 10.992 7.335 -10.970 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.666 7.109 -9.943 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.262 8.246 -11.780 1.00 0.00 O ATOM 0 H GLU A 503 6.371 5.418 -9.539 1.00 0.00 H new ATOM 0 HA GLU A 503 9.292 4.971 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.718 6.858 -10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.814 7.675 -9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.077 5.411 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.454 6.617 -12.273 1.00 0.00 H new ATOM 1214 N ARG A 504 9.401 6.181 -7.119 1.00 0.00 N ATOM 1215 CA ARG A 504 9.381 6.688 -5.758 1.00 0.00 C ATOM 1216 C ARG A 504 9.482 8.204 -5.720 1.00 0.00 C ATOM 1217 O ARG A 504 10.344 8.807 -6.359 1.00 0.00 O ATOM 1218 CB ARG A 504 10.501 6.071 -4.931 1.00 0.00 C ATOM 1219 CG ARG A 504 11.894 6.434 -5.418 1.00 0.00 C ATOM 1220 CD ARG A 504 12.957 5.570 -4.761 1.00 0.00 C ATOM 1221 NE ARG A 504 14.176 6.322 -4.475 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.279 7.220 -3.498 1.00 0.00 C ATOM 1223 NH1 ARG A 504 13.242 7.479 -2.712 1.00 0.00 N ATOM 1224 NH2 ARG A 504 15.425 7.860 -3.306 1.00 0.00 N ATOM 0 H ARG A 504 10.302 5.815 -7.427 1.00 0.00 H new ATOM 0 HA ARG A 504 8.423 6.402 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.394 6.391 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.393 4.986 -4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 504 11.945 6.315 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 504 12.093 7.484 -5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.563 5.153 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.195 4.729 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 504 14.995 6.149 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.359 6.989 -2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 504 13.328 8.168 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.226 7.664 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.505 8.548 -2.558 1.00 0.00 H new ATOM 1238 N LYS A 505 8.588 8.800 -4.945 1.00 0.00 N ATOM 1239 CA LYS A 505 8.530 10.247 -4.773 1.00 0.00 C ATOM 1240 C LYS A 505 8.035 10.570 -3.371 1.00 0.00 C ATOM 1241 O LYS A 505 7.417 9.728 -2.721 1.00 0.00 O ATOM 1242 CB LYS A 505 7.589 10.889 -5.799 1.00 0.00 C ATOM 1243 CG LYS A 505 7.862 10.488 -7.240 1.00 0.00 C ATOM 1244 CD LYS A 505 6.745 9.621 -7.800 1.00 0.00 C ATOM 1245 CE LYS A 505 5.435 10.389 -7.891 1.00 0.00 C ATOM 1246 NZ LYS A 505 5.476 11.437 -8.947 1.00 0.00 N ATOM 0 H LYS A 505 7.879 8.293 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 505 9.532 10.649 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.562 10.622 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.666 11.973 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 505 7.971 11.383 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 505 8.806 9.947 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.025 9.259 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.611 8.744 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.621 9.695 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.219 10.852 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 4.521 11.579 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 5.820 12.329 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 6.116 11.137 -9.710 1.00 0.00 H new ATOM 1260 N MET A 506 8.297 11.782 -2.902 1.00 0.00 N ATOM 1261 CA MET A 506 7.854 12.177 -1.572 1.00 0.00 C ATOM 1262 C MET A 506 6.658 13.119 -1.644 1.00 0.00 C ATOM 1263 O MET A 506 6.790 14.280 -2.029 1.00 0.00 O ATOM 1264 CB MET A 506 8.993 12.832 -0.788 1.00 0.00 C ATOM 1265 CG MET A 506 9.636 14.013 -1.497 1.00 0.00 C ATOM 1266 SD MET A 506 11.172 14.540 -0.709 1.00 0.00 S ATOM 1267 CE MET A 506 10.753 14.360 1.025 1.00 0.00 C ATOM 0 H MET A 506 8.807 12.501 -3.415 1.00 0.00 H new ATOM 0 HA MET A 506 7.546 11.272 -1.049 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.611 13.165 0.177 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.758 12.083 -0.586 1.00 0.00 H new ATOM 0 HG2 MET A 506 9.837 13.744 -2.534 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.935 14.848 -1.514 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.533 14.813 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.803 14.856 1.223 1.00 0.00 H new ATOM 0 HE3 MET A 506 10.668 13.301 1.271 1.00 0.00 H new ATOM 1277 N ILE A 507 5.492 12.611 -1.256 1.00 0.00 N ATOM 1278 CA ILE A 507 4.272 13.408 -1.260 1.00 0.00 C ATOM 1279 C ILE A 507 4.094 14.098 0.091 1.00 0.00 C ATOM 1280 O ILE A 507 3.833 13.445 1.102 1.00 0.00 O ATOM 1281 CB ILE A 507 3.018 12.540 -1.563 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.965 12.093 -3.037 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.750 13.306 -1.214 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.917 12.834 -3.951 1.00 0.00 C ATOM 0 H ILE A 507 5.367 11.651 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 507 4.370 14.153 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 507 3.089 11.645 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.187 11.027 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.948 12.225 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.880 12.687 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.759 13.561 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.702 14.220 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.813 12.456 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.683 13.899 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.941 12.682 -3.610 1.00 0.00 H new ATOM 1296 N ASN A 508 4.240 15.418 0.099 1.00 0.00 N ATOM 1297 CA ASN A 508 4.098 16.193 1.326 1.00 0.00 C ATOM 1298 C ASN A 508 5.113 15.742 2.372 1.00 0.00 C ATOM 1299 O ASN A 508 4.789 15.620 3.553 1.00 0.00 O ATOM 1300 CB ASN A 508 2.678 16.055 1.880 1.00 0.00 C ATOM 1301 CG ASN A 508 2.239 17.283 2.654 1.00 0.00 C ATOM 1302 OD1 ASN A 508 3.035 17.906 3.356 1.00 0.00 O ATOM 1303 ND2 ASN A 508 0.965 17.637 2.529 1.00 0.00 N ATOM 0 H ASN A 508 4.456 15.973 -0.729 1.00 0.00 H new ATOM 0 HA ASN A 508 4.287 17.240 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.985 15.880 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.628 15.182 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 508 0.612 18.455 3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 508 0.340 17.091 1.936 1.00 0.00 H new ATOM 1310 N ASP A 509 6.342 15.493 1.928 1.00 0.00 N ATOM 1311 CA ASP A 509 7.411 15.052 2.822 1.00 0.00 C ATOM 1312 C ASP A 509 7.219 13.594 3.236 1.00 0.00 C ATOM 1313 O ASP A 509 7.861 13.117 4.171 1.00 0.00 O ATOM 1314 CB ASP A 509 7.474 15.942 4.066 1.00 0.00 C ATOM 1315 CG ASP A 509 8.896 16.194 4.526 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.771 16.404 3.660 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.135 16.180 5.752 1.00 0.00 O ATOM 0 H ASP A 509 6.624 15.589 0.952 1.00 0.00 H new ATOM 0 HA ASP A 509 8.352 15.134 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.990 16.895 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.912 15.473 4.874 1.00 0.00 H new ATOM 1322 N LYS A 510 6.334 12.888 2.535 1.00 0.00 N ATOM 1323 CA LYS A 510 6.067 11.486 2.834 1.00 0.00 C ATOM 1324 C LYS A 510 6.471 10.595 1.668 1.00 0.00 C ATOM 1325 O LYS A 510 6.121 10.868 0.521 1.00 0.00 O ATOM 1326 CB LYS A 510 4.586 11.279 3.145 1.00 0.00 C ATOM 1327 CG LYS A 510 4.299 9.960 3.842 1.00 0.00 C ATOM 1328 CD LYS A 510 4.330 10.109 5.357 1.00 0.00 C ATOM 1329 CE LYS A 510 5.665 10.654 5.840 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.736 10.714 7.326 1.00 0.00 N ATOM 0 H LYS A 510 5.791 13.265 1.758 1.00 0.00 H new ATOM 0 HA LYS A 510 6.660 11.212 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.235 12.098 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.017 11.323 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.322 9.589 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.035 9.217 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.528 10.776 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.142 9.141 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.471 10.025 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.820 11.651 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.661 11.091 7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.982 11.335 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.614 9.759 7.718 1.00 0.00 H new ATOM 1344 N MET A 511 7.202 9.525 1.962 1.00 0.00 N ATOM 1345 CA MET A 511 7.637 8.604 0.920 1.00 0.00 C ATOM 1346 C MET A 511 6.436 7.942 0.251 1.00 0.00 C ATOM 1347 O MET A 511 5.764 7.098 0.843 1.00 0.00 O ATOM 1348 CB MET A 511 8.565 7.539 1.505 1.00 0.00 C ATOM 1349 CG MET A 511 10.022 7.967 1.562 1.00 0.00 C ATOM 1350 SD MET A 511 10.955 7.453 0.106 1.00 0.00 S ATOM 1351 CE MET A 511 9.807 7.880 -1.201 1.00 0.00 C ATOM 0 H MET A 511 7.503 9.276 2.904 1.00 0.00 H new ATOM 0 HA MET A 511 8.183 9.173 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.229 7.289 2.511 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.485 6.631 0.907 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.075 9.051 1.658 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.486 7.545 2.454 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.299 7.772 -2.167 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.943 7.217 -1.158 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.479 8.912 -1.074 1.00 0.00 H new ATOM 1361 N HIS A 512 6.181 8.337 -0.989 1.00 0.00 N ATOM 1362 CA HIS A 512 5.076 7.804 -1.764 1.00 0.00 C ATOM 1363 C HIS A 512 5.568 7.190 -3.073 1.00 0.00 C ATOM 1364 O HIS A 512 6.261 7.845 -3.852 1.00 0.00 O ATOM 1365 CB HIS A 512 4.076 8.913 -2.093 1.00 0.00 C ATOM 1366 CG HIS A 512 3.097 9.221 -1.002 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.469 9.691 0.240 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.746 9.154 -0.987 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.386 9.902 0.969 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.329 9.584 0.247 1.00 0.00 N ATOM 0 H HIS A 512 6.736 9.036 -1.483 1.00 0.00 H new ATOM 0 HA HIS A 512 4.596 7.032 -1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.629 9.821 -2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.523 8.630 -2.989 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.428 9.851 0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.113 8.823 -1.797 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.370 10.272 1.984 1.00 0.00 H new ATOM 1379 N PHE A 513 5.189 5.946 -3.326 1.00 0.00 N ATOM 1380 CA PHE A 513 5.570 5.264 -4.554 1.00 0.00 C ATOM 1381 C PHE A 513 4.361 5.163 -5.480 1.00 0.00 C ATOM 1382 O PHE A 513 3.315 4.652 -5.081 1.00 0.00 O ATOM 1383 CB PHE A 513 6.128 3.872 -4.244 1.00 0.00 C ATOM 1384 CG PHE A 513 5.952 3.440 -2.812 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.756 2.891 -2.381 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.985 3.587 -1.902 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.593 2.495 -1.066 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.829 3.194 -0.587 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.632 2.647 -0.168 1.00 0.00 C ATOM 0 H PHE A 513 4.616 5.387 -2.695 1.00 0.00 H new ATOM 0 HA PHE A 513 6.351 5.838 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.641 3.145 -4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.190 3.856 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.941 2.771 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.923 4.014 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.656 2.068 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.643 3.314 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.508 2.339 0.860 1.00 0.00 H new ATOM 1399 N SER A 514 4.488 5.673 -6.704 1.00 0.00 N ATOM 1400 CA SER A 514 3.369 5.643 -7.641 1.00 0.00 C ATOM 1401 C SER A 514 3.736 6.221 -9.006 1.00 0.00 C ATOM 1402 O SER A 514 4.784 6.843 -9.175 1.00 0.00 O ATOM 1403 CB SER A 514 2.190 6.421 -7.058 1.00 0.00 C ATOM 1404 OG SER A 514 1.047 5.593 -6.931 1.00 0.00 O ATOM 0 H SER A 514 5.339 6.104 -7.065 1.00 0.00 H new ATOM 0 HA SER A 514 3.098 4.598 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.462 6.823 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.958 7.271 -7.700 1.00 0.00 H new ATOM 0 HG SER A 514 0.931 5.338 -5.992 1.00 0.00 H new ATOM 1410 N LEU A 515 2.836 6.023 -9.966 1.00 0.00 N ATOM 1411 CA LEU A 515 3.010 6.527 -11.314 1.00 0.00 C ATOM 1412 C LEU A 515 1.900 7.517 -11.617 1.00 0.00 C ATOM 1413 O LEU A 515 0.935 7.623 -10.860 1.00 0.00 O ATOM 1414 CB LEU A 515 2.998 5.401 -12.353 1.00 0.00 C ATOM 1415 CG LEU A 515 1.737 4.544 -12.355 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.576 3.791 -13.665 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.781 3.579 -11.197 1.00 0.00 C ATOM 0 H LEU A 515 1.967 5.508 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 515 3.983 7.014 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.124 5.839 -13.343 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.859 4.755 -12.178 1.00 0.00 H new ATOM 0 HG LEU A 515 0.875 5.203 -12.248 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.667 3.191 -13.630 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.510 4.503 -14.488 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.436 3.139 -13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.879 2.967 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.656 2.936 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.839 4.136 -10.262 1.00 0.00 H new ATOM 1429 N LYS A 516 2.024 8.239 -12.717 1.00 0.00 N ATOM 1430 CA LYS A 516 1.005 9.205 -13.082 1.00 0.00 C ATOM 1431 C LYS A 516 0.705 9.162 -14.574 1.00 0.00 C ATOM 1432 O LYS A 516 1.499 9.621 -15.394 1.00 0.00 O ATOM 1433 CB LYS A 516 1.400 10.616 -12.652 1.00 0.00 C ATOM 1434 CG LYS A 516 2.722 10.676 -11.918 1.00 0.00 C ATOM 1435 CD LYS A 516 3.876 10.363 -12.850 1.00 0.00 C ATOM 1436 CE LYS A 516 4.964 9.569 -12.147 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.728 8.712 -13.095 1.00 0.00 N ATOM 0 H LYS A 516 2.809 8.176 -13.365 1.00 0.00 H new ATOM 0 HA LYS A 516 0.094 8.931 -12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.454 11.254 -13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.619 11.024 -12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.857 11.668 -11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.715 9.966 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.509 9.798 -13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.295 11.292 -13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.647 10.255 -11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.516 8.945 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.460 8.187 -12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 5.081 8.040 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.177 9.309 -13.818 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.452 8.604 -14.915 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.870 8.495 -16.299 1.00 0.00 C ATOM 1453 C GLU A 517 -1.476 9.808 -16.786 1.00 0.00 C ATOM 1454 O GLU A 517 -2.323 10.372 -16.063 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.892 7.362 -16.443 1.00 0.00 C ATOM 1456 CG GLU A 517 -1.288 5.963 -16.565 1.00 0.00 C ATOM 1457 CD GLU A 517 -0.049 5.922 -17.441 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -0.199 5.860 -18.680 1.00 0.00 O ATOM 1459 OE2 GLU A 517 1.070 5.952 -16.887 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.096 10.261 -17.886 1.00 0.00 O ATOM 0 H GLU A 517 -1.117 8.220 -14.244 1.00 0.00 H new ATOM 0 HA GLU A 517 0.005 8.273 -16.910 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.558 7.381 -15.580 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.506 7.555 -17.323 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -1.035 5.596 -15.571 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.037 5.285 -16.974 1.00 0.00 H new