USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 714 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 609 SER OG : rot 88:sc= 0.531 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 601 ASN : amide:sc= 0.115 X(o=-3.2,f=-3.3) USER MOD Set 2.2: A 606 TYR OH : rot 80:sc= -3.29! USER MOD Set 3.1: A 537 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 578 THR OG1 : rot 180:sc= -0.0389 USER MOD Set 4.1: A 548 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot 60:sc= 1.24 USER MOD Single : A 534 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.1!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 150:sc= -0.817 USER MOD Single : A 540 TYR OH : rot 180:sc= 0 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ -165:sc= 0.128 (180deg=0.0719) USER MOD Single : A 545 ASN :FLIP amide:sc= -1.17! C(o=-1.9!,f=-1.2!) USER MOD Single : A 546 SER OG : rot 180:sc= -0.885 USER MOD Single : A 550 HIS :FLIP no HE2:sc= -5.36! C(o=-7.2!,f=-5.4!) USER MOD Single : A 551 TYR OH : rot 180:sc= -5.14! USER MOD Single : A 557 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 566 MET CE :methyl -172:sc= -5.13! (180deg=-5.29!) USER MOD Single : A 567 GLN : amide:sc= -0.374 K(o=-0.37,f=-3.2!) USER MOD Single : A 572 SER OG : rot -63:sc= 0.439 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0604) USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 592 ASN :FLIP amide:sc= -0.585 F(o=-3.2,f=-0.59) USER MOD Single : A 595 ASN : amide:sc= -0.0891 K(o=-0.089,f=-1.6!) USER MOD Single : A 596 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.8!) USER MOD Single : A 597 ASN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 600 SER OG : rot 180:sc= 0.441 USER MOD Single : A 602 ASN : amide:sc= -0.214 K(o=-0.21,f=-2!) USER MOD Single : A 603 THR OG1 : rot -59:sc= 0.0805 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot -48:sc= -1.66! USER MOD Single : A 614 THR OG1 : rot 170:sc= -1.15 USER MOD Single : A 615 TYR OH : rot 180:sc= -0.0247 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -4.383 20.239 2.100 1.00 0.00 N ATOM 2 CA GLY A 530 -4.287 20.991 0.860 1.00 0.00 C ATOM 3 C GLY A 530 -3.242 20.376 -0.074 1.00 0.00 C ATOM 4 O GLY A 530 -2.247 21.018 -0.407 1.00 0.00 O ATOM 0 HA2 GLY A 530 -5.258 21.008 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -4.022 22.026 1.077 1.00 0.00 H new ATOM 8 N GLY A 531 -3.505 19.140 -0.471 1.00 0.00 N ATOM 9 CA GLY A 531 -2.600 18.431 -1.361 1.00 0.00 C ATOM 10 C GLY A 531 -3.256 17.165 -1.915 1.00 0.00 C ATOM 11 O GLY A 531 -2.825 16.054 -1.612 1.00 0.00 O ATOM 0 H GLY A 531 -4.332 18.611 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -2.308 19.084 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -1.689 18.168 -0.824 1.00 0.00 H new ATOM 15 N THR A 532 -4.288 17.376 -2.720 1.00 0.00 N ATOM 16 CA THR A 532 -5.007 16.265 -3.320 1.00 0.00 C ATOM 17 C THR A 532 -5.308 16.558 -4.791 1.00 0.00 C ATOM 18 O THR A 532 -5.858 17.608 -5.119 1.00 0.00 O ATOM 19 CB THR A 532 -6.262 16.007 -2.483 1.00 0.00 C ATOM 20 OG1 THR A 532 -6.708 17.310 -2.116 1.00 0.00 O ATOM 21 CG2 THR A 532 -5.946 15.332 -1.147 1.00 0.00 C ATOM 0 H THR A 532 -4.643 18.299 -2.970 1.00 0.00 H new ATOM 0 HA THR A 532 -4.405 15.356 -3.318 1.00 0.00 H new ATOM 0 HB THR A 532 -6.955 15.384 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 532 -7.520 17.237 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 532 -6.871 15.172 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 532 -5.461 14.373 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 532 -5.280 15.970 -0.566 1.00 0.00 H new ATOM 29 N THR A 533 -4.934 15.610 -5.638 1.00 0.00 N ATOM 30 CA THR A 533 -5.157 15.752 -7.067 1.00 0.00 C ATOM 31 C THR A 533 -4.894 14.426 -7.783 1.00 0.00 C ATOM 32 O THR A 533 -5.696 13.993 -8.610 1.00 0.00 O ATOM 33 CB THR A 533 -4.278 16.899 -7.570 1.00 0.00 C ATOM 34 OG1 THR A 533 -5.149 18.026 -7.579 1.00 0.00 O ATOM 35 CG2 THR A 533 -3.875 16.728 -9.036 1.00 0.00 C ATOM 0 H THR A 533 -4.478 14.740 -5.362 1.00 0.00 H new ATOM 0 HA THR A 533 -6.196 16.000 -7.282 1.00 0.00 H new ATOM 0 HB THR A 533 -3.382 16.967 -6.953 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.485 18.187 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 533 -3.252 17.569 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 533 -3.315 15.800 -9.154 1.00 0.00 H new ATOM 0 HG23 THR A 533 -4.770 16.693 -9.658 1.00 0.00 H new ATOM 43 N ASN A 534 -3.769 13.817 -7.438 1.00 0.00 N ATOM 44 CA ASN A 534 -3.391 12.549 -8.038 1.00 0.00 C ATOM 45 C ASN A 534 -3.759 11.409 -7.085 1.00 0.00 C ATOM 46 O ASN A 534 -4.271 11.650 -5.993 1.00 0.00 O ATOM 47 CB ASN A 534 -1.883 12.486 -8.290 1.00 0.00 C ATOM 48 CG ASN A 534 -1.578 12.471 -9.789 1.00 0.00 C ATOM 49 OD1 ASN A 534 -2.375 12.041 -10.606 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.382 12.961 -10.103 1.00 0.00 N ATOM 0 H ASN A 534 -3.107 14.178 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.919 12.454 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.397 13.344 -7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.469 11.593 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 534 -0.084 12.993 -11.078 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.237 13.305 -9.369 1.00 0.00 H new ATOM 57 N LYS A 535 -3.482 10.194 -7.532 1.00 0.00 N ATOM 58 CA LYS A 535 -3.777 9.017 -6.733 1.00 0.00 C ATOM 59 C LYS A 535 -2.704 7.955 -6.981 1.00 0.00 C ATOM 60 O LYS A 535 -2.050 7.960 -8.023 1.00 0.00 O ATOM 61 CB LYS A 535 -5.201 8.527 -7.005 1.00 0.00 C ATOM 62 CG LYS A 535 -6.234 9.540 -6.506 1.00 0.00 C ATOM 63 CD LYS A 535 -6.662 10.486 -7.630 1.00 0.00 C ATOM 64 CE LYS A 535 -8.186 10.612 -7.690 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.665 10.440 -9.080 1.00 0.00 N ATOM 0 H LYS A 535 -3.056 9.999 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.746 9.261 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.335 8.362 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.360 7.568 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -7.106 9.014 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.815 10.116 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -6.218 11.469 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -6.286 10.116 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.645 9.862 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.492 11.587 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.701 10.528 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -8.241 11.171 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -8.390 9.499 -9.428 1.00 0.00 H new ATOM 78 N VAL A 536 -2.557 7.069 -6.007 1.00 0.00 N ATOM 79 CA VAL A 536 -1.575 6.003 -6.106 1.00 0.00 C ATOM 80 C VAL A 536 -2.270 4.655 -5.907 1.00 0.00 C ATOM 81 O VAL A 536 -2.854 4.403 -4.855 1.00 0.00 O ATOM 82 CB VAL A 536 -0.439 6.243 -5.109 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.435 7.420 -5.547 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.986 6.463 -3.698 1.00 0.00 C ATOM 0 H VAL A 536 -3.102 7.068 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.122 5.992 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 536 0.185 5.350 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.235 7.569 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.867 7.208 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -0.173 8.322 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -0.158 6.631 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -1.644 7.332 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.546 5.583 -3.384 1.00 0.00 H new ATOM 94 N THR A 537 -2.183 3.823 -6.935 1.00 0.00 N ATOM 95 CA THR A 537 -2.797 2.507 -6.887 1.00 0.00 C ATOM 96 C THR A 537 -1.745 1.440 -6.574 1.00 0.00 C ATOM 97 O THR A 537 -0.766 1.295 -7.305 1.00 0.00 O ATOM 98 CB THR A 537 -3.523 2.274 -8.213 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.656 3.135 -8.144 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.125 0.872 -8.313 1.00 0.00 C ATOM 0 H THR A 537 -1.696 4.035 -7.806 1.00 0.00 H new ATOM 0 HA THR A 537 -3.531 2.442 -6.084 1.00 0.00 H new ATOM 0 HB THR A 537 -2.829 2.430 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.183 3.049 -8.966 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.628 0.760 -9.273 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.332 0.129 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.844 0.727 -7.507 1.00 0.00 H new ATOM 108 N VAL A 538 -1.984 0.720 -5.488 1.00 0.00 N ATOM 109 CA VAL A 538 -1.070 -0.329 -5.070 1.00 0.00 C ATOM 110 C VAL A 538 -1.840 -1.644 -4.930 1.00 0.00 C ATOM 111 O VAL A 538 -2.861 -1.700 -4.247 1.00 0.00 O ATOM 112 CB VAL A 538 -0.353 0.084 -3.782 1.00 0.00 C ATOM 113 CG1 VAL A 538 1.011 -0.600 -3.671 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.213 1.605 -3.696 1.00 0.00 C ATOM 0 H VAL A 538 -2.797 0.842 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.296 -0.483 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 538 -0.962 -0.244 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.500 -0.290 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.876 -1.682 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.630 -0.317 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.300 1.872 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.363 1.966 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.202 2.063 -3.707 1.00 0.00 H new ATOM 124 N TYR A 539 -1.319 -2.670 -5.588 1.00 0.00 N ATOM 125 CA TYR A 539 -1.945 -3.981 -5.545 1.00 0.00 C ATOM 126 C TYR A 539 -1.120 -4.954 -4.701 1.00 0.00 C ATOM 127 O TYR A 539 0.088 -5.078 -4.893 1.00 0.00 O ATOM 128 CB TYR A 539 -1.977 -4.479 -6.991 1.00 0.00 C ATOM 129 CG TYR A 539 -3.306 -4.227 -7.707 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.732 -2.934 -7.934 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.078 -5.291 -8.125 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.983 -2.696 -8.608 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.328 -5.054 -8.799 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.719 -3.768 -9.007 1.00 0.00 C ATOM 135 OH TYR A 539 -6.900 -3.543 -9.643 1.00 0.00 O ATOM 0 H TYR A 539 -0.471 -2.620 -6.153 1.00 0.00 H new ATOM 0 HA TYR A 539 -2.939 -3.919 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.177 -3.993 -7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.768 -5.549 -7.001 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.128 -2.101 -7.607 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.745 -6.303 -7.947 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.328 -1.689 -8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.941 -5.878 -9.132 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.080 -4.277 -10.267 1.00 0.00 H new ATOM 145 N TYR A 540 -1.807 -5.621 -3.784 1.00 0.00 N ATOM 146 CA TYR A 540 -1.154 -6.580 -2.910 1.00 0.00 C ATOM 147 C TYR A 540 -1.842 -7.944 -2.981 1.00 0.00 C ATOM 148 O TYR A 540 -3.070 -8.024 -3.004 1.00 0.00 O ATOM 149 CB TYR A 540 -1.296 -6.023 -1.492 1.00 0.00 C ATOM 150 CG TYR A 540 -1.163 -7.079 -0.393 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.179 -8.043 -0.478 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.026 -7.067 0.683 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.054 -9.037 0.557 1.00 0.00 C ATOM 154 CE2 TYR A 540 -1.901 -8.060 1.718 1.00 0.00 C ATOM 155 CZ TYR A 540 -0.921 -8.996 1.604 1.00 0.00 C ATOM 156 OH TYR A 540 -0.803 -9.934 2.581 1.00 0.00 O ATOM 0 H TYR A 540 -2.809 -5.516 -3.628 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.113 -6.719 -3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -0.539 -5.255 -1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.267 -5.537 -1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.497 -8.052 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -2.796 -6.312 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 540 0.711 -9.798 0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -2.570 -8.062 2.566 1.00 0.00 H new ATOM 0 HH TYR A 540 -1.488 -9.781 3.265 1.00 0.00 H new ATOM 166 N LYS A 541 -1.022 -8.984 -3.012 1.00 0.00 N ATOM 167 CA LYS A 541 -1.537 -10.341 -3.080 1.00 0.00 C ATOM 168 C LYS A 541 -1.752 -10.872 -1.661 1.00 0.00 C ATOM 169 O LYS A 541 -0.793 -11.056 -0.912 1.00 0.00 O ATOM 170 CB LYS A 541 -0.621 -11.220 -3.933 1.00 0.00 C ATOM 171 CG LYS A 541 -1.357 -12.471 -4.419 1.00 0.00 C ATOM 172 CD LYS A 541 -0.458 -13.322 -5.319 1.00 0.00 C ATOM 173 CE LYS A 541 -0.707 -14.814 -5.089 1.00 0.00 C ATOM 174 NZ LYS A 541 -0.616 -15.557 -6.365 1.00 0.00 N ATOM 0 H LYS A 541 -0.005 -8.914 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.507 -10.356 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.259 -10.651 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.254 -11.511 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.683 -13.061 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.254 -12.180 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -0.645 -13.075 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.588 -13.089 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 541 0.023 -15.206 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -1.692 -14.960 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -0.788 -16.568 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -1.329 -15.194 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.333 -15.432 -6.773 1.00 0.00 H new ATOM 187 N LYS A 542 -3.015 -11.103 -1.334 1.00 0.00 N ATOM 188 CA LYS A 542 -3.367 -11.609 -0.019 1.00 0.00 C ATOM 189 C LYS A 542 -3.696 -13.100 -0.121 1.00 0.00 C ATOM 190 O LYS A 542 -4.275 -13.544 -1.112 1.00 0.00 O ATOM 191 CB LYS A 542 -4.491 -10.772 0.594 1.00 0.00 C ATOM 192 CG LYS A 542 -5.854 -11.196 0.042 1.00 0.00 C ATOM 193 CD LYS A 542 -6.796 -11.616 1.172 1.00 0.00 C ATOM 194 CE LYS A 542 -8.136 -10.885 1.070 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.171 -11.586 1.861 1.00 0.00 N ATOM 0 H LYS A 542 -3.807 -10.949 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 542 -2.522 -11.515 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -4.483 -10.884 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -4.321 -9.717 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.296 -10.372 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.726 -12.023 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -6.961 -12.693 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.333 -11.401 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -8.027 -9.862 1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -8.446 -10.825 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -10.112 -11.239 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.113 -12.609 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.017 -11.404 2.873 1.00 0.00 H new ATOM 208 N GLY A 543 -3.314 -13.831 0.915 1.00 0.00 N ATOM 209 CA GLY A 543 -2.634 -13.225 2.048 1.00 0.00 C ATOM 210 C GLY A 543 -2.991 -13.944 3.350 1.00 0.00 C ATOM 211 O GLY A 543 -2.738 -15.139 3.493 1.00 0.00 O ATOM 0 H GLY A 543 -3.462 -14.837 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.556 -13.262 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -2.910 -12.173 2.122 1.00 0.00 H new ATOM 215 N PHE A 544 -3.573 -13.186 4.267 1.00 0.00 N ATOM 216 CA PHE A 544 -3.968 -13.735 5.553 1.00 0.00 C ATOM 217 C PHE A 544 -5.487 -13.895 5.638 1.00 0.00 C ATOM 218 O PHE A 544 -6.018 -14.970 5.363 1.00 0.00 O ATOM 219 CB PHE A 544 -3.510 -12.743 6.623 1.00 0.00 C ATOM 220 CG PHE A 544 -2.111 -13.024 7.176 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.015 -12.549 6.526 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.964 -13.750 8.316 1.00 0.00 C ATOM 223 CE1 PHE A 544 0.283 -12.810 7.038 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.666 -14.011 8.829 1.00 0.00 C ATOM 225 CZ PHE A 544 0.430 -13.535 8.179 1.00 0.00 C ATOM 0 H PHE A 544 -3.781 -12.195 4.145 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.518 -14.718 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.528 -11.737 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.224 -12.757 7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -1.132 -11.973 5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.834 -14.128 8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 544 1.153 -12.433 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 544 -0.549 -14.587 9.735 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.417 -13.733 8.569 1.00 0.00 H new ATOM 235 N ASN A 545 -6.144 -12.809 6.020 1.00 0.00 N ATOM 236 CA ASN A 545 -7.591 -12.815 6.145 1.00 0.00 C ATOM 237 C ASN A 545 -8.126 -11.405 5.891 1.00 0.00 C ATOM 238 O ASN A 545 -9.028 -11.217 5.075 1.00 0.00 O ATOM 239 CB ASN A 545 -8.021 -13.237 7.552 1.00 0.00 C ATOM 240 CG ASN A 545 -7.032 -14.239 8.150 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.168 -15.477 7.683 1.00 0.00 O flip ATOM 242 ND2 ASN A 545 -6.200 -13.910 8.980 1.00 0.00 N flip ATOM 0 H ASN A 545 -5.700 -11.919 6.247 1.00 0.00 H new ATOM 0 HA ASN A 545 -7.989 -13.523 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.088 -12.359 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -9.016 -13.681 7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -6.150 -12.941 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.555 -14.604 9.358 1.00 0.00 H new ATOM 249 N SER A 546 -7.548 -10.449 6.603 1.00 0.00 N ATOM 250 CA SER A 546 -7.956 -9.061 6.464 1.00 0.00 C ATOM 251 C SER A 546 -6.933 -8.145 7.139 1.00 0.00 C ATOM 252 O SER A 546 -7.261 -7.435 8.088 1.00 0.00 O ATOM 253 CB SER A 546 -9.346 -8.833 7.060 1.00 0.00 C ATOM 254 OG SER A 546 -10.047 -10.058 7.264 1.00 0.00 O ATOM 0 H SER A 546 -6.800 -10.608 7.278 1.00 0.00 H new ATOM 0 HA SER A 546 -8.002 -8.823 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.251 -8.307 8.010 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.924 -8.191 6.396 1.00 0.00 H new ATOM 0 HG SER A 546 -10.929 -9.870 7.647 1.00 0.00 H new ATOM 260 N PRO A 547 -5.681 -8.193 6.609 1.00 0.00 N ATOM 261 CA PRO A 547 -4.608 -7.376 7.150 1.00 0.00 C ATOM 262 C PRO A 547 -4.768 -5.913 6.730 1.00 0.00 C ATOM 263 O PRO A 547 -5.222 -5.628 5.623 1.00 0.00 O ATOM 264 CB PRO A 547 -3.329 -8.008 6.626 1.00 0.00 C ATOM 265 CG PRO A 547 -3.744 -8.867 5.442 1.00 0.00 C ATOM 266 CD PRO A 547 -5.256 -9.023 5.486 1.00 0.00 C ATOM 0 HA PRO A 547 -4.606 -7.352 8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.612 -7.245 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.847 -8.610 7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -3.435 -8.401 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.258 -9.842 5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -5.715 -8.694 4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.543 -10.064 5.632 1.00 0.00 H new ATOM 274 N TYR A 548 -4.385 -5.025 7.636 1.00 0.00 N ATOM 275 CA TYR A 548 -4.480 -3.599 7.373 1.00 0.00 C ATOM 276 C TYR A 548 -3.148 -3.047 6.861 1.00 0.00 C ATOM 277 O TYR A 548 -2.104 -3.673 7.034 1.00 0.00 O ATOM 278 CB TYR A 548 -4.808 -2.944 8.716 1.00 0.00 C ATOM 279 CG TYR A 548 -6.306 -2.771 8.974 1.00 0.00 C ATOM 280 CD1 TYR A 548 -7.031 -3.797 9.546 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.932 -1.589 8.636 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.441 -3.634 9.789 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.342 -1.426 8.879 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.027 -2.456 9.444 1.00 0.00 C ATOM 285 OH TYR A 548 -10.358 -2.302 9.673 1.00 0.00 O ATOM 0 H TYR A 548 -4.008 -5.265 8.553 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.236 -3.397 6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.379 -3.546 9.517 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.327 -1.967 8.759 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.541 -4.722 9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.365 -0.786 8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -9.020 -4.429 10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.844 -0.506 8.618 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.640 -1.411 9.378 1.00 0.00 H new ATOM 295 N ILE A 549 -3.228 -1.878 6.241 1.00 0.00 N ATOM 296 CA ILE A 549 -2.042 -1.234 5.703 1.00 0.00 C ATOM 297 C ILE A 549 -1.995 0.219 6.182 1.00 0.00 C ATOM 298 O ILE A 549 -3.006 0.919 6.152 1.00 0.00 O ATOM 299 CB ILE A 549 -1.996 -1.381 4.181 1.00 0.00 C ATOM 300 CG1 ILE A 549 -3.312 -0.926 3.546 1.00 0.00 C ATOM 301 CG2 ILE A 549 -1.631 -2.812 3.780 1.00 0.00 C ATOM 302 CD1 ILE A 549 -4.327 -2.070 3.507 1.00 0.00 C ATOM 0 H ILE A 549 -4.096 -1.361 6.100 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.141 -1.723 6.075 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.211 -0.729 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.723 -0.090 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -3.126 -0.566 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -1.605 -2.890 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.651 -3.065 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.376 -3.502 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -5.253 -1.719 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -3.923 -2.895 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -4.529 -2.412 4.522 1.00 0.00 H new ATOM 314 N HIS A 550 -0.810 0.628 6.612 1.00 0.00 N ATOM 315 CA HIS A 550 -0.618 1.985 7.096 1.00 0.00 C ATOM 316 C HIS A 550 0.346 2.728 6.169 1.00 0.00 C ATOM 317 O HIS A 550 1.519 2.370 6.071 1.00 0.00 O ATOM 318 CB HIS A 550 -0.154 1.980 8.554 1.00 0.00 C ATOM 319 CG HIS A 550 -0.364 3.294 9.269 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.089 3.664 10.552 1.00 0.00 N flip ATOM 321 CD2 HIS A 550 -0.919 4.402 8.653 1.00 0.00 C flip ATOM 322 CE1 HIS A 550 -0.454 4.930 10.712 1.00 0.00 C flip ATOM 323 NE2 HIS A 550 -0.970 5.389 9.536 1.00 0.00 N flip ATOM 0 H HIS A 550 0.026 0.044 6.635 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.568 2.520 7.079 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.687 1.196 9.092 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.905 1.725 8.587 1.00 0.00 H new ATOM 0 HD1 HIS A 550 0.327 3.068 11.268 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -1.254 4.454 7.627 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -0.358 5.502 11.623 1.00 0.00 H new ATOM 331 N TYR A 551 -0.184 3.750 5.513 1.00 0.00 N ATOM 332 CA TYR A 551 0.615 4.548 4.598 1.00 0.00 C ATOM 333 C TYR A 551 0.531 6.034 4.950 1.00 0.00 C ATOM 334 O TYR A 551 -0.390 6.460 5.646 1.00 0.00 O ATOM 335 CB TYR A 551 0.010 4.329 3.210 1.00 0.00 C ATOM 336 CG TYR A 551 -1.454 3.883 3.232 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.409 4.681 3.829 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.819 2.684 2.655 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.786 4.261 3.850 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.196 2.265 2.676 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.112 3.074 3.272 1.00 0.00 C ATOM 342 OH TYR A 551 -5.413 2.678 3.292 1.00 0.00 O ATOM 0 H TYR A 551 -1.157 4.044 5.597 1.00 0.00 H new ATOM 0 HA TYR A 551 1.664 4.255 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.088 5.255 2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.600 3.579 2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.124 5.620 4.280 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.072 2.060 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.543 4.875 4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.495 1.329 2.228 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.498 1.812 2.842 1.00 0.00 H new ATOM 352 N ARG A 552 1.504 6.783 4.452 1.00 0.00 N ATOM 353 CA ARG A 552 1.551 8.213 4.704 1.00 0.00 C ATOM 354 C ARG A 552 2.079 8.953 3.473 1.00 0.00 C ATOM 355 O ARG A 552 2.995 8.477 2.805 1.00 0.00 O ATOM 356 CB ARG A 552 2.445 8.531 5.904 1.00 0.00 C ATOM 357 CG ARG A 552 3.364 9.717 5.604 1.00 0.00 C ATOM 358 CD ARG A 552 3.914 10.326 6.896 1.00 0.00 C ATOM 359 NE ARG A 552 5.199 9.684 7.251 1.00 0.00 N ATOM 360 CZ ARG A 552 6.166 10.279 7.982 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.000 11.537 8.443 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.275 9.611 8.240 1.00 0.00 N ATOM 0 H ARG A 552 2.266 6.426 3.875 1.00 0.00 H new ATOM 0 HA ARG A 552 0.536 8.544 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.827 8.756 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.045 7.657 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.190 9.391 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 552 2.815 10.475 5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.057 11.399 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.196 10.193 7.705 1.00 0.00 H new ATOM 0 HE ARG A 552 5.365 8.732 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.139 12.045 8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 552 6.735 11.979 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.391 8.661 7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.016 10.045 8.791 1.00 0.00 H new ATOM 375 N PRO A 553 1.462 10.134 3.204 1.00 0.00 N ATOM 376 CA PRO A 553 1.861 10.944 2.065 1.00 0.00 C ATOM 377 C PRO A 553 3.186 11.658 2.337 1.00 0.00 C ATOM 378 O PRO A 553 3.411 12.158 3.438 1.00 0.00 O ATOM 379 CB PRO A 553 0.704 11.904 1.841 1.00 0.00 C ATOM 380 CG PRO A 553 -0.089 11.911 3.138 1.00 0.00 C ATOM 381 CD PRO A 553 0.373 10.729 3.974 1.00 0.00 C ATOM 0 HA PRO A 553 2.047 10.349 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.067 12.903 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.084 11.580 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.070 12.845 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -1.157 11.839 2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 553 0.713 11.049 4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.436 10.016 4.133 1.00 0.00 H new ATOM 389 N ALA A 554 4.029 11.683 1.315 1.00 0.00 N ATOM 390 CA ALA A 554 5.326 12.328 1.430 1.00 0.00 C ATOM 391 C ALA A 554 5.131 13.843 1.522 1.00 0.00 C ATOM 392 O ALA A 554 5.615 14.587 0.670 1.00 0.00 O ATOM 393 CB ALA A 554 6.204 11.924 0.244 1.00 0.00 C ATOM 0 H ALA A 554 3.839 11.267 0.403 1.00 0.00 H new ATOM 0 HA ALA A 554 5.836 12.006 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.177 12.408 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.336 10.842 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.726 12.234 -0.685 1.00 0.00 H new ATOM 399 N GLY A 555 4.423 14.254 2.563 1.00 0.00 N ATOM 400 CA GLY A 555 4.158 15.667 2.778 1.00 0.00 C ATOM 401 C GLY A 555 2.799 15.875 3.447 1.00 0.00 C ATOM 402 O GLY A 555 2.072 16.808 3.109 1.00 0.00 O ATOM 0 H GLY A 555 4.024 13.633 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 555 4.943 16.097 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 555 4.182 16.194 1.824 1.00 0.00 H new ATOM 406 N GLY A 556 2.495 14.990 4.385 1.00 0.00 N ATOM 407 CA GLY A 556 1.235 15.065 5.105 1.00 0.00 C ATOM 408 C GLY A 556 1.406 14.615 6.557 1.00 0.00 C ATOM 409 O GLY A 556 1.762 15.415 7.421 1.00 0.00 O ATOM 0 H GLY A 556 3.100 14.217 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 556 0.858 16.087 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 556 0.492 14.438 4.611 1.00 0.00 H new ATOM 413 N SER A 557 1.145 13.335 6.782 1.00 0.00 N ATOM 414 CA SER A 557 1.265 12.769 8.114 1.00 0.00 C ATOM 415 C SER A 557 0.958 11.270 8.076 1.00 0.00 C ATOM 416 O SER A 557 0.779 10.697 7.002 1.00 0.00 O ATOM 417 CB SER A 557 0.332 13.476 9.099 1.00 0.00 C ATOM 418 OG SER A 557 0.476 12.974 10.425 1.00 0.00 O ATOM 0 H SER A 557 0.851 12.674 6.063 1.00 0.00 H new ATOM 0 HA SER A 557 2.290 12.915 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.541 14.546 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.701 13.350 8.774 1.00 0.00 H new ATOM 0 HG SER A 557 -0.135 13.452 11.024 1.00 0.00 H new ATOM 424 N TRP A 558 0.909 10.679 9.260 1.00 0.00 N ATOM 425 CA TRP A 558 0.627 9.258 9.375 1.00 0.00 C ATOM 426 C TRP A 558 -0.851 9.096 9.738 1.00 0.00 C ATOM 427 O TRP A 558 -1.269 9.468 10.833 1.00 0.00 O ATOM 428 CB TRP A 558 1.566 8.593 10.384 1.00 0.00 C ATOM 429 CG TRP A 558 2.897 8.132 9.786 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.100 8.709 9.909 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.111 6.968 8.960 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.070 8.004 9.226 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.450 6.912 8.631 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.204 5.994 8.507 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.002 5.901 7.834 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.771 4.991 7.712 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.117 4.921 7.371 1.00 0.00 C ATOM 0 H TRP A 558 1.060 11.158 10.148 1.00 0.00 H new ATOM 0 HA TRP A 558 0.810 8.751 8.428 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.767 9.294 11.194 1.00 0.00 H new ATOM 0 HB3 TRP A 558 1.060 7.734 10.824 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.287 9.612 10.472 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.060 8.241 9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.153 6.018 8.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.054 5.879 7.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.117 4.217 7.337 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.478 4.114 6.751 1.00 0.00 H new ATOM 448 N THR A 559 -1.601 8.542 8.797 1.00 0.00 N ATOM 449 CA THR A 559 -3.023 8.327 9.003 1.00 0.00 C ATOM 450 C THR A 559 -3.270 7.655 10.355 1.00 0.00 C ATOM 451 O THR A 559 -2.325 7.301 11.058 1.00 0.00 O ATOM 452 CB THR A 559 -3.556 7.521 7.817 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.058 8.213 6.675 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.077 7.620 7.678 1.00 0.00 C ATOM 0 H THR A 559 -1.250 8.235 7.890 1.00 0.00 H new ATOM 0 HA THR A 559 -3.565 9.272 9.041 1.00 0.00 H new ATOM 0 HB THR A 559 -3.269 6.476 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.355 7.756 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.403 7.030 6.821 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.551 7.239 8.583 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.362 8.662 7.531 1.00 0.00 H new ATOM 462 N ALA A 560 -4.545 7.499 10.678 1.00 0.00 N ATOM 463 CA ALA A 560 -4.929 6.876 11.933 1.00 0.00 C ATOM 464 C ALA A 560 -4.645 5.374 11.859 1.00 0.00 C ATOM 465 O ALA A 560 -5.354 4.637 11.176 1.00 0.00 O ATOM 466 CB ALA A 560 -6.400 7.177 12.225 1.00 0.00 C ATOM 0 H ALA A 560 -5.326 7.794 10.092 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.344 7.283 12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.687 6.709 13.167 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.543 8.255 12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.019 6.781 11.420 1.00 0.00 H new ATOM 472 N ALA A 561 -3.605 4.965 12.572 1.00 0.00 N ATOM 473 CA ALA A 561 -3.219 3.565 12.595 1.00 0.00 C ATOM 474 C ALA A 561 -4.257 2.767 13.387 1.00 0.00 C ATOM 475 O ALA A 561 -4.674 3.183 14.467 1.00 0.00 O ATOM 476 CB ALA A 561 -1.811 3.433 13.181 1.00 0.00 C ATOM 0 H ALA A 561 -3.019 5.579 13.137 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.191 3.158 11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.521 2.382 13.198 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.107 3.994 12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -1.801 3.829 14.196 1.00 0.00 H new ATOM 482 N PRO A 562 -4.654 1.604 12.804 1.00 0.00 N ATOM 483 CA PRO A 562 -4.111 1.184 11.524 1.00 0.00 C ATOM 484 C PRO A 562 -4.710 2.003 10.379 1.00 0.00 C ATOM 485 O PRO A 562 -5.850 2.458 10.466 1.00 0.00 O ATOM 486 CB PRO A 562 -4.433 -0.298 11.426 1.00 0.00 C ATOM 487 CG PRO A 562 -5.544 -0.550 12.433 1.00 0.00 C ATOM 488 CD PRO A 562 -5.628 0.661 13.347 1.00 0.00 C ATOM 0 HA PRO A 562 -3.036 1.350 11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.752 -0.563 10.418 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.556 -0.904 11.652 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.494 -0.709 11.922 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.338 -1.451 13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.632 1.086 13.350 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.391 0.396 14.378 1.00 0.00 H new ATOM 496 N GLY A 563 -3.916 2.167 9.331 1.00 0.00 N ATOM 497 CA GLY A 563 -4.354 2.923 8.171 1.00 0.00 C ATOM 498 C GLY A 563 -5.762 2.505 7.743 1.00 0.00 C ATOM 499 O GLY A 563 -6.741 2.840 8.406 1.00 0.00 O ATOM 0 H GLY A 563 -2.971 1.789 9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.341 3.988 8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.658 2.767 7.347 1.00 0.00 H new ATOM 503 N VAL A 564 -5.818 1.777 6.637 1.00 0.00 N ATOM 504 CA VAL A 564 -7.089 1.309 6.112 1.00 0.00 C ATOM 505 C VAL A 564 -6.948 -0.149 5.671 1.00 0.00 C ATOM 506 O VAL A 564 -5.842 -0.617 5.406 1.00 0.00 O ATOM 507 CB VAL A 564 -7.563 2.232 4.987 1.00 0.00 C ATOM 508 CG1 VAL A 564 -9.091 2.275 4.920 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.981 3.637 5.149 1.00 0.00 C ATOM 0 H VAL A 564 -5.003 1.500 6.090 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.857 1.341 6.885 1.00 0.00 H new ATOM 0 HB VAL A 564 -7.198 1.825 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.401 2.938 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.475 1.272 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.486 2.646 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.333 4.273 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.302 4.056 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.893 3.585 5.123 1.00 0.00 H new ATOM 519 N LYS A 565 -8.085 -0.826 5.605 1.00 0.00 N ATOM 520 CA LYS A 565 -8.102 -2.222 5.200 1.00 0.00 C ATOM 521 C LYS A 565 -8.073 -2.305 3.673 1.00 0.00 C ATOM 522 O LYS A 565 -8.965 -1.788 3.002 1.00 0.00 O ATOM 523 CB LYS A 565 -9.290 -2.949 5.833 1.00 0.00 C ATOM 524 CG LYS A 565 -9.300 -4.428 5.442 1.00 0.00 C ATOM 525 CD LYS A 565 -9.358 -5.322 6.682 1.00 0.00 C ATOM 526 CE LYS A 565 -10.786 -5.804 6.944 1.00 0.00 C ATOM 527 NZ LYS A 565 -11.536 -4.798 7.729 1.00 0.00 N ATOM 0 H LYS A 565 -9.001 -0.434 5.825 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.213 -2.736 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.241 -2.856 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.220 -2.479 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.158 -4.633 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -8.406 -4.661 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -8.700 -6.180 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -8.991 -4.772 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.294 -5.988 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -10.763 -6.751 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -12.503 -5.140 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -11.059 -4.643 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -11.573 -3.903 7.201 1.00 0.00 H new ATOM 540 N MET A 566 -7.038 -2.961 3.168 1.00 0.00 N ATOM 541 CA MET A 566 -6.881 -3.119 1.732 1.00 0.00 C ATOM 542 C MET A 566 -8.234 -3.341 1.053 1.00 0.00 C ATOM 543 O MET A 566 -9.099 -4.029 1.594 1.00 0.00 O ATOM 544 CB MET A 566 -5.965 -4.311 1.447 1.00 0.00 C ATOM 545 CG MET A 566 -4.572 -3.842 1.023 1.00 0.00 C ATOM 546 SD MET A 566 -4.325 -4.154 -0.717 1.00 0.00 S ATOM 547 CE MET A 566 -2.832 -3.215 -0.991 1.00 0.00 C ATOM 0 H MET A 566 -6.300 -3.389 3.728 1.00 0.00 H new ATOM 0 HA MET A 566 -6.440 -2.206 1.331 1.00 0.00 H new ATOM 0 HB2 MET A 566 -5.887 -4.936 2.337 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.400 -4.929 0.661 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.459 -2.778 1.229 1.00 0.00 H new ATOM 0 HG3 MET A 566 -3.811 -4.362 1.606 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.613 -3.183 -2.058 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.967 -2.200 -0.618 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.003 -3.688 -0.465 1.00 0.00 H new ATOM 557 N GLN A 567 -8.376 -2.745 -0.122 1.00 0.00 N ATOM 558 CA GLN A 567 -9.609 -2.869 -0.880 1.00 0.00 C ATOM 559 C GLN A 567 -9.418 -3.836 -2.050 1.00 0.00 C ATOM 560 O GLN A 567 -8.585 -3.601 -2.924 1.00 0.00 O ATOM 561 CB GLN A 567 -10.091 -1.502 -1.370 1.00 0.00 C ATOM 562 CG GLN A 567 -11.173 -0.939 -0.447 1.00 0.00 C ATOM 563 CD GLN A 567 -12.347 -0.381 -1.254 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.386 -0.451 -2.471 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.299 0.175 -0.510 1.00 0.00 N ATOM 0 H GLN A 567 -7.657 -2.175 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.378 -3.274 -0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.250 -0.810 -1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.483 -1.592 -2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.528 -1.722 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.750 -0.152 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.203 0.200 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.125 0.576 -0.955 1.00 0.00 H new ATOM 574 N ASP A 568 -10.204 -4.902 -2.030 1.00 0.00 N ATOM 575 CA ASP A 568 -10.131 -5.905 -3.079 1.00 0.00 C ATOM 576 C ASP A 568 -10.042 -5.209 -4.439 1.00 0.00 C ATOM 577 O ASP A 568 -10.585 -4.121 -4.620 1.00 0.00 O ATOM 578 CB ASP A 568 -11.379 -6.790 -3.082 1.00 0.00 C ATOM 579 CG ASP A 568 -11.109 -8.290 -2.946 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.604 -9.103 -3.741 1.00 0.00 O ATOM 581 OD2 ASP A 568 -10.344 -8.619 -1.961 1.00 0.00 O ATOM 0 H ASP A 568 -10.895 -5.093 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.251 -6.522 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.029 -6.478 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.926 -6.617 -4.009 1.00 0.00 H new ATOM 587 N ALA A 569 -9.351 -5.866 -5.359 1.00 0.00 N ATOM 588 CA ALA A 569 -9.183 -5.324 -6.697 1.00 0.00 C ATOM 589 C ALA A 569 -10.340 -5.795 -7.582 1.00 0.00 C ATOM 590 O ALA A 569 -11.481 -5.872 -7.129 1.00 0.00 O ATOM 591 CB ALA A 569 -7.819 -5.742 -7.250 1.00 0.00 C ATOM 0 H ALA A 569 -8.901 -6.768 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.206 -4.234 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.693 -5.335 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.031 -5.359 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.760 -6.830 -7.289 1.00 0.00 H new ATOM 597 N GLU A 570 -10.005 -6.097 -8.827 1.00 0.00 N ATOM 598 CA GLU A 570 -11.001 -6.558 -9.780 1.00 0.00 C ATOM 599 C GLU A 570 -10.500 -7.805 -10.510 1.00 0.00 C ATOM 600 O GLU A 570 -11.114 -8.251 -11.478 1.00 0.00 O ATOM 601 CB GLU A 570 -11.364 -5.451 -10.771 1.00 0.00 C ATOM 602 CG GLU A 570 -10.221 -5.200 -11.756 1.00 0.00 C ATOM 603 CD GLU A 570 -10.278 -3.775 -12.312 1.00 0.00 C ATOM 604 OE1 GLU A 570 -10.629 -2.838 -11.579 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.941 -3.659 -13.551 1.00 0.00 O ATOM 0 H GLU A 570 -9.057 -6.032 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 570 -11.906 -6.821 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.265 -5.729 -11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.590 -4.533 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.265 -5.362 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.279 -5.916 -12.576 1.00 0.00 H new ATOM 613 N ILE A 571 -9.389 -8.334 -10.018 1.00 0.00 N ATOM 614 CA ILE A 571 -8.798 -9.521 -10.612 1.00 0.00 C ATOM 615 C ILE A 571 -9.524 -10.763 -10.089 1.00 0.00 C ATOM 616 O ILE A 571 -10.417 -11.289 -10.750 1.00 0.00 O ATOM 617 CB ILE A 571 -7.287 -9.546 -10.372 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.620 -8.296 -10.951 1.00 0.00 C ATOM 619 CG2 ILE A 571 -6.666 -10.832 -10.919 1.00 0.00 C ATOM 620 CD1 ILE A 571 -5.127 -8.268 -10.619 1.00 0.00 C ATOM 0 H ILE A 571 -8.883 -7.962 -9.214 1.00 0.00 H new ATOM 0 HA ILE A 571 -8.925 -9.508 -11.694 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.112 -9.536 -9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -6.756 -8.274 -12.032 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.102 -7.404 -10.551 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.592 -10.824 -10.735 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.113 -11.692 -10.421 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -6.850 -10.898 -11.991 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -4.677 -7.370 -11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -4.995 -8.265 -9.537 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -4.644 -9.149 -11.041 1.00 0.00 H new ATOM 632 N SER A 572 -9.113 -11.194 -8.905 1.00 0.00 N ATOM 633 CA SER A 572 -9.712 -12.364 -8.286 1.00 0.00 C ATOM 634 C SER A 572 -8.817 -12.873 -7.154 1.00 0.00 C ATOM 635 O SER A 572 -7.906 -13.666 -7.388 1.00 0.00 O ATOM 636 CB SER A 572 -9.950 -13.471 -9.314 1.00 0.00 C ATOM 637 OG SER A 572 -9.898 -14.767 -8.725 1.00 0.00 O ATOM 0 H SER A 572 -8.373 -10.754 -8.358 1.00 0.00 H new ATOM 0 HA SER A 572 -10.679 -12.075 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.922 -13.326 -9.785 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.201 -13.401 -10.102 1.00 0.00 H new ATOM 0 HG SER A 572 -9.002 -14.925 -8.361 1.00 0.00 H new ATOM 643 N GLY A 573 -9.109 -12.397 -5.952 1.00 0.00 N ATOM 644 CA GLY A 573 -8.342 -12.795 -4.784 1.00 0.00 C ATOM 645 C GLY A 573 -7.208 -11.804 -4.509 1.00 0.00 C ATOM 646 O GLY A 573 -6.374 -12.037 -3.636 1.00 0.00 O ATOM 0 H GLY A 573 -9.866 -11.740 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -8.998 -12.852 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -7.929 -13.792 -4.938 1.00 0.00 H new ATOM 650 N TYR A 574 -7.215 -10.720 -5.271 1.00 0.00 N ATOM 651 CA TYR A 574 -6.198 -9.694 -5.121 1.00 0.00 C ATOM 652 C TYR A 574 -6.754 -8.475 -4.382 1.00 0.00 C ATOM 653 O TYR A 574 -7.968 -8.285 -4.317 1.00 0.00 O ATOM 654 CB TYR A 574 -5.804 -9.279 -6.540 1.00 0.00 C ATOM 655 CG TYR A 574 -4.374 -9.662 -6.925 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.320 -8.847 -6.564 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.137 -10.822 -7.634 1.00 0.00 C ATOM 658 CE1 TYR A 574 -1.974 -9.207 -6.927 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.791 -11.182 -7.997 1.00 0.00 C ATOM 660 CZ TYR A 574 -1.776 -10.357 -7.626 1.00 0.00 C ATOM 661 OH TYR A 574 -0.504 -10.698 -7.968 1.00 0.00 O ATOM 0 H TYR A 574 -7.909 -10.530 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.353 -10.073 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.495 -9.738 -7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.919 -8.199 -6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -3.505 -7.939 -6.009 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -4.961 -11.460 -7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.141 -8.578 -6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -2.592 -12.087 -8.552 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.514 -11.544 -8.463 1.00 0.00 H new ATOM 671 N ALA A 575 -5.840 -7.681 -3.844 1.00 0.00 N ATOM 672 CA ALA A 575 -6.225 -6.485 -3.113 1.00 0.00 C ATOM 673 C ALA A 575 -5.599 -5.260 -3.782 1.00 0.00 C ATOM 674 O ALA A 575 -4.589 -5.375 -4.475 1.00 0.00 O ATOM 675 CB ALA A 575 -5.807 -6.627 -1.648 1.00 0.00 C ATOM 0 H ALA A 575 -4.834 -7.842 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.307 -6.354 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.095 -5.731 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.301 -7.495 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.726 -6.757 -1.589 1.00 0.00 H new ATOM 681 N LYS A 576 -6.225 -4.115 -3.551 1.00 0.00 N ATOM 682 CA LYS A 576 -5.742 -2.870 -4.123 1.00 0.00 C ATOM 683 C LYS A 576 -6.153 -1.705 -3.219 1.00 0.00 C ATOM 684 O LYS A 576 -7.136 -1.801 -2.486 1.00 0.00 O ATOM 685 CB LYS A 576 -6.218 -2.724 -5.569 1.00 0.00 C ATOM 686 CG LYS A 576 -7.627 -2.129 -5.625 1.00 0.00 C ATOM 687 CD LYS A 576 -8.072 -1.908 -7.072 1.00 0.00 C ATOM 688 CE LYS A 576 -7.889 -0.447 -7.485 1.00 0.00 C ATOM 689 NZ LYS A 576 -8.932 0.402 -6.867 1.00 0.00 N ATOM 0 H LYS A 576 -7.062 -4.024 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.653 -2.869 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.528 -2.086 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.211 -3.698 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.328 -2.796 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.647 -1.182 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.495 -2.552 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.119 -2.192 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -6.902 -0.098 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.938 -0.361 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -8.933 1.337 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -9.863 -0.045 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -8.734 0.511 -5.852 1.00 0.00 H new ATOM 702 N ILE A 577 -5.380 -0.633 -3.301 1.00 0.00 N ATOM 703 CA ILE A 577 -5.651 0.549 -2.500 1.00 0.00 C ATOM 704 C ILE A 577 -5.324 1.800 -3.318 1.00 0.00 C ATOM 705 O ILE A 577 -4.469 1.763 -4.201 1.00 0.00 O ATOM 706 CB ILE A 577 -4.907 0.474 -1.166 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.437 0.863 -1.335 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.064 -0.907 -0.527 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.035 1.942 -0.328 1.00 0.00 C ATOM 0 H ILE A 577 -4.565 -0.558 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.709 0.602 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.355 1.197 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -2.807 -0.016 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.268 1.226 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.525 -0.933 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.121 -1.108 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.658 -1.666 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -1.985 2.200 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -3.650 2.829 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.182 1.567 0.685 1.00 0.00 H new ATOM 721 N THR A 578 -6.022 2.879 -2.994 1.00 0.00 N ATOM 722 CA THR A 578 -5.817 4.139 -3.687 1.00 0.00 C ATOM 723 C THR A 578 -5.600 5.272 -2.682 1.00 0.00 C ATOM 724 O THR A 578 -6.401 5.456 -1.767 1.00 0.00 O ATOM 725 CB THR A 578 -7.012 4.370 -4.614 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.231 3.099 -5.221 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.675 5.291 -5.788 1.00 0.00 C ATOM 0 H THR A 578 -6.730 2.906 -2.260 1.00 0.00 H new ATOM 0 HA THR A 578 -4.915 4.111 -4.298 1.00 0.00 H new ATOM 0 HB THR A 578 -7.836 4.798 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.991 3.157 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.558 5.421 -6.414 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.353 6.261 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.873 4.848 -6.379 1.00 0.00 H new ATOM 735 N VAL A 579 -4.513 6.001 -2.886 1.00 0.00 N ATOM 736 CA VAL A 579 -4.181 7.111 -2.008 1.00 0.00 C ATOM 737 C VAL A 579 -3.876 8.349 -2.853 1.00 0.00 C ATOM 738 O VAL A 579 -3.162 8.264 -3.851 1.00 0.00 O ATOM 739 CB VAL A 579 -3.027 6.719 -1.083 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.971 7.634 0.142 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.133 5.250 -0.666 1.00 0.00 C ATOM 0 H VAL A 579 -3.851 5.845 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.026 7.356 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.097 6.844 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -2.142 7.334 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.825 8.665 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.906 7.556 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.301 4.997 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.073 5.088 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.100 4.617 -1.553 1.00 0.00 H new ATOM 751 N ASP A 580 -4.431 9.472 -2.421 1.00 0.00 N ATOM 752 CA ASP A 580 -4.227 10.727 -3.125 1.00 0.00 C ATOM 753 C ASP A 580 -2.855 11.296 -2.757 1.00 0.00 C ATOM 754 O ASP A 580 -2.356 11.060 -1.658 1.00 0.00 O ATOM 755 CB ASP A 580 -5.287 11.757 -2.732 1.00 0.00 C ATOM 756 CG ASP A 580 -5.413 12.950 -3.683 1.00 0.00 C ATOM 757 OD1 ASP A 580 -4.417 13.420 -4.253 1.00 0.00 O ATOM 758 OD2 ASP A 580 -6.611 13.405 -3.830 1.00 0.00 O ATOM 0 H ASP A 580 -5.022 9.539 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.296 10.529 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.253 11.257 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.057 12.130 -1.734 1.00 0.00 H new ATOM 764 N ILE A 581 -2.285 12.035 -3.697 1.00 0.00 N ATOM 765 CA ILE A 581 -0.981 12.640 -3.485 1.00 0.00 C ATOM 766 C ILE A 581 -0.841 13.869 -4.386 1.00 0.00 C ATOM 767 O ILE A 581 0.164 14.025 -5.078 1.00 0.00 O ATOM 768 CB ILE A 581 0.128 11.605 -3.681 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.171 11.114 -5.130 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.019 10.449 -2.689 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.442 10.306 -5.398 1.00 0.00 C ATOM 0 H ILE A 581 -2.702 12.229 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 581 -0.885 12.986 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 581 1.084 12.087 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.705 10.499 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.128 11.966 -5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.782 9.727 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.038 10.834 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.982 9.961 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.447 9.969 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.316 10.931 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.470 9.441 -4.735 1.00 0.00 H new ATOM 783 N GLY A 582 -1.864 14.710 -4.348 1.00 0.00 N ATOM 784 CA GLY A 582 -1.868 15.920 -5.152 1.00 0.00 C ATOM 785 C GLY A 582 -0.523 16.645 -5.059 1.00 0.00 C ATOM 786 O GLY A 582 0.129 16.885 -6.074 1.00 0.00 O ATOM 0 H GLY A 582 -2.696 14.577 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.079 15.669 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.666 16.582 -4.815 1.00 0.00 H new ATOM 790 N SER A 583 -0.149 16.974 -3.831 1.00 0.00 N ATOM 791 CA SER A 583 1.106 17.666 -3.591 1.00 0.00 C ATOM 792 C SER A 583 2.162 16.678 -3.093 1.00 0.00 C ATOM 793 O SER A 583 3.072 17.056 -2.356 1.00 0.00 O ATOM 794 CB SER A 583 0.924 18.803 -2.583 1.00 0.00 C ATOM 795 OG SER A 583 1.541 20.010 -3.023 1.00 0.00 O ATOM 0 H SER A 583 -0.693 16.774 -2.992 1.00 0.00 H new ATOM 0 HA SER A 583 1.442 18.102 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.140 18.978 -2.421 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.348 18.508 -1.623 1.00 0.00 H new ATOM 0 HG SER A 583 1.401 20.712 -2.353 1.00 0.00 H new ATOM 801 N ALA A 584 2.006 15.432 -3.514 1.00 0.00 N ATOM 802 CA ALA A 584 2.935 14.387 -3.119 1.00 0.00 C ATOM 803 C ALA A 584 3.318 13.560 -4.348 1.00 0.00 C ATOM 804 O ALA A 584 2.472 13.263 -5.190 1.00 0.00 O ATOM 805 CB ALA A 584 2.306 13.534 -2.016 1.00 0.00 C ATOM 0 H ALA A 584 1.250 15.122 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 584 3.850 14.820 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.003 12.750 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.079 14.162 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.386 13.081 -2.386 1.00 0.00 H new ATOM 811 N SER A 585 4.595 13.211 -4.413 1.00 0.00 N ATOM 812 CA SER A 585 5.100 12.424 -5.525 1.00 0.00 C ATOM 813 C SER A 585 5.480 11.022 -5.044 1.00 0.00 C ATOM 814 O SER A 585 5.860 10.169 -5.845 1.00 0.00 O ATOM 815 CB SER A 585 6.304 13.105 -6.179 1.00 0.00 C ATOM 816 OG SER A 585 7.237 13.583 -5.214 1.00 0.00 O ATOM 0 H SER A 585 5.295 13.459 -3.713 1.00 0.00 H new ATOM 0 HA SER A 585 4.311 12.343 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.801 12.400 -6.846 1.00 0.00 H new ATOM 0 HB3 SER A 585 5.960 13.937 -6.794 1.00 0.00 H new ATOM 0 HG SER A 585 7.991 14.009 -5.672 1.00 0.00 H new ATOM 822 N GLN A 586 5.365 10.828 -3.738 1.00 0.00 N ATOM 823 CA GLN A 586 5.692 9.544 -3.141 1.00 0.00 C ATOM 824 C GLN A 586 4.875 9.329 -1.865 1.00 0.00 C ATOM 825 O GLN A 586 4.716 10.248 -1.064 1.00 0.00 O ATOM 826 CB GLN A 586 7.191 9.437 -2.858 1.00 0.00 C ATOM 827 CG GLN A 586 7.898 8.623 -3.943 1.00 0.00 C ATOM 828 CD GLN A 586 9.400 8.913 -3.956 1.00 0.00 C ATOM 829 OE1 GLN A 586 9.856 9.940 -4.431 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.141 7.953 -3.409 1.00 0.00 N ATOM 0 H GLN A 586 5.050 11.538 -3.077 1.00 0.00 H new ATOM 0 HA GLN A 586 5.434 8.758 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.627 10.435 -2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.349 8.969 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 586 7.731 7.560 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.470 8.860 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 586 9.695 7.118 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.155 8.052 -3.369 1.00 0.00 H new ATOM 839 N LEU A 587 4.380 8.109 -1.716 1.00 0.00 N ATOM 840 CA LEU A 587 3.584 7.761 -0.551 1.00 0.00 C ATOM 841 C LEU A 587 4.045 6.406 -0.010 1.00 0.00 C ATOM 842 O LEU A 587 4.122 5.430 -0.755 1.00 0.00 O ATOM 843 CB LEU A 587 2.092 7.815 -0.886 1.00 0.00 C ATOM 844 CG LEU A 587 1.134 7.615 0.289 1.00 0.00 C ATOM 845 CD1 LEU A 587 -0.020 8.618 0.233 1.00 0.00 C ATOM 846 CD2 LEU A 587 0.634 6.169 0.349 1.00 0.00 C ATOM 0 H LEU A 587 4.515 7.349 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 587 3.734 8.490 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 587 1.877 8.781 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 587 1.880 7.053 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 587 1.682 7.805 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.686 8.454 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.377 9.632 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.574 8.484 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -0.046 6.054 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.109 5.927 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 587 1.482 5.495 0.471 1.00 0.00 H new ATOM 858 N GLU A 588 4.338 6.389 1.282 1.00 0.00 N ATOM 859 CA GLU A 588 4.788 5.170 1.931 1.00 0.00 C ATOM 860 C GLU A 588 3.591 4.374 2.455 1.00 0.00 C ATOM 861 O GLU A 588 2.615 4.955 2.927 1.00 0.00 O ATOM 862 CB GLU A 588 5.776 5.481 3.057 1.00 0.00 C ATOM 863 CG GLU A 588 5.251 6.606 3.951 1.00 0.00 C ATOM 864 CD GLU A 588 5.980 7.920 3.663 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.386 8.623 4.601 1.00 0.00 O ATOM 866 OE2 GLU A 588 6.120 8.203 2.413 1.00 0.00 O ATOM 0 H GLU A 588 4.272 7.200 1.897 1.00 0.00 H new ATOM 0 HA GLU A 588 5.309 4.560 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 588 5.945 4.585 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 588 6.738 5.768 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.181 6.736 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.383 6.335 4.998 1.00 0.00 H new ATOM 874 N ALA A 589 3.706 3.058 2.355 1.00 0.00 N ATOM 875 CA ALA A 589 2.645 2.177 2.814 1.00 0.00 C ATOM 876 C ALA A 589 3.263 0.941 3.470 1.00 0.00 C ATOM 877 O ALA A 589 4.239 0.388 2.965 1.00 0.00 O ATOM 878 CB ALA A 589 1.735 1.820 1.638 1.00 0.00 C ATOM 0 H ALA A 589 4.517 2.580 1.963 1.00 0.00 H new ATOM 0 HA ALA A 589 2.029 2.674 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 589 0.939 1.159 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.299 2.730 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.318 1.316 0.867 1.00 0.00 H new ATOM 884 N ALA A 590 2.669 0.543 4.585 1.00 0.00 N ATOM 885 CA ALA A 590 3.148 -0.618 5.316 1.00 0.00 C ATOM 886 C ALA A 590 2.020 -1.645 5.430 1.00 0.00 C ATOM 887 O ALA A 590 0.846 -1.299 5.308 1.00 0.00 O ATOM 888 CB ALA A 590 3.677 -0.178 6.682 1.00 0.00 C ATOM 0 H ALA A 590 1.860 1.004 5.001 1.00 0.00 H new ATOM 0 HA ALA A 590 3.973 -1.093 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.036 -1.049 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.496 0.528 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.876 0.301 7.245 1.00 0.00 H new ATOM 894 N PHE A 591 2.416 -2.888 5.663 1.00 0.00 N ATOM 895 CA PHE A 591 1.453 -3.967 5.795 1.00 0.00 C ATOM 896 C PHE A 591 1.534 -4.608 7.182 1.00 0.00 C ATOM 897 O PHE A 591 2.614 -4.990 7.631 1.00 0.00 O ATOM 898 CB PHE A 591 1.809 -5.016 4.740 1.00 0.00 C ATOM 899 CG PHE A 591 1.496 -4.587 3.305 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.351 -3.764 2.640 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.364 -5.029 2.695 1.00 0.00 C ATOM 902 CE1 PHE A 591 2.061 -3.365 1.309 1.00 0.00 C ATOM 903 CE2 PHE A 591 0.074 -4.630 1.363 1.00 0.00 C ATOM 904 CZ PHE A 591 0.928 -3.807 0.698 1.00 0.00 C ATOM 0 H PHE A 591 3.391 -3.171 5.764 1.00 0.00 H new ATOM 0 HA PHE A 591 0.442 -3.582 5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.872 -5.246 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.267 -5.936 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 591 3.250 -3.414 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 591 -0.314 -5.683 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 591 2.739 -2.711 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.825 -4.980 0.878 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.707 -3.504 -0.315 1.00 0.00 H new ATOM 914 N ASN A 592 0.378 -4.707 7.823 1.00 0.00 N ATOM 915 CA ASN A 592 0.306 -5.295 9.149 1.00 0.00 C ATOM 916 C ASN A 592 -1.091 -5.881 9.367 1.00 0.00 C ATOM 917 O ASN A 592 -2.092 -5.248 9.034 1.00 0.00 O ATOM 918 CB ASN A 592 0.550 -4.242 10.232 1.00 0.00 C ATOM 919 CG ASN A 592 -0.471 -3.107 10.135 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.618 -3.358 10.760 1.00 0.00 O flip ATOM 921 ND2 ASN A 592 -0.234 -2.073 9.533 1.00 0.00 N flip ATOM 0 H ASN A 592 -0.516 -4.390 7.448 1.00 0.00 H new ATOM 0 HA ASN A 592 1.072 -6.068 9.217 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.490 -4.707 11.216 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.558 -3.839 10.131 1.00 0.00 H new ATOM 0 HD21 ASN A 592 0.668 -1.945 9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -0.938 -1.336 9.488 1.00 0.00 H new ATOM 928 N ASP A 593 -1.113 -7.083 9.924 1.00 0.00 N ATOM 929 CA ASP A 593 -2.371 -7.761 10.189 1.00 0.00 C ATOM 930 C ASP A 593 -3.140 -6.996 11.268 1.00 0.00 C ATOM 931 O ASP A 593 -4.353 -7.151 11.399 1.00 0.00 O ATOM 932 CB ASP A 593 -2.132 -9.184 10.698 1.00 0.00 C ATOM 933 CG ASP A 593 -3.244 -9.749 11.584 1.00 0.00 C ATOM 934 OD1 ASP A 593 -3.345 -9.414 12.774 1.00 0.00 O ATOM 935 OD2 ASP A 593 -4.040 -10.578 10.998 1.00 0.00 O ATOM 0 H ASP A 593 -0.281 -7.605 10.199 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.936 -7.801 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.001 -9.843 9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.197 -9.201 11.259 1.00 0.00 H new ATOM 941 N GLY A 594 -2.403 -6.186 12.014 1.00 0.00 N ATOM 942 CA GLY A 594 -3.000 -5.396 13.077 1.00 0.00 C ATOM 943 C GLY A 594 -2.862 -6.102 14.427 1.00 0.00 C ATOM 944 O GLY A 594 -3.416 -5.648 15.428 1.00 0.00 O ATOM 0 H GLY A 594 -1.397 -6.060 11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.519 -4.419 13.123 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.054 -5.223 12.859 1.00 0.00 H new ATOM 948 N ASN A 595 -2.121 -7.200 14.413 1.00 0.00 N ATOM 949 CA ASN A 595 -1.903 -7.972 15.624 1.00 0.00 C ATOM 950 C ASN A 595 -0.409 -8.263 15.777 1.00 0.00 C ATOM 951 O ASN A 595 0.008 -9.420 15.752 1.00 0.00 O ATOM 952 CB ASN A 595 -2.641 -9.311 15.563 1.00 0.00 C ATOM 953 CG ASN A 595 -2.891 -9.864 16.968 1.00 0.00 C ATOM 954 OD1 ASN A 595 -2.974 -9.136 17.944 1.00 0.00 O ATOM 955 ND2 ASN A 595 -3.005 -11.188 17.016 1.00 0.00 N ATOM 0 H ASN A 595 -1.664 -7.574 13.581 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.278 -7.391 16.466 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -3.591 -9.183 15.044 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.056 -10.027 14.985 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -3.172 -11.653 17.908 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.925 -11.738 16.161 1.00 0.00 H new ATOM 962 N ASN A 596 0.357 -7.192 15.931 1.00 0.00 N ATOM 963 CA ASN A 596 1.796 -7.318 16.088 1.00 0.00 C ATOM 964 C ASN A 596 2.348 -8.218 14.981 1.00 0.00 C ATOM 965 O ASN A 596 3.091 -9.159 15.255 1.00 0.00 O ATOM 966 CB ASN A 596 2.150 -7.952 17.435 1.00 0.00 C ATOM 967 CG ASN A 596 2.127 -6.910 18.555 1.00 0.00 C ATOM 968 OD1 ASN A 596 1.889 -5.734 18.338 1.00 0.00 O ATOM 969 ND2 ASN A 596 2.388 -7.407 19.761 1.00 0.00 N ATOM 0 H ASN A 596 0.008 -6.234 15.950 1.00 0.00 H new ATOM 0 HA ASN A 596 2.230 -6.320 16.035 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.444 -8.750 17.662 1.00 0.00 H new ATOM 0 HB3 ASN A 596 3.139 -8.408 17.378 1.00 0.00 H new ATOM 0 HD21 ASN A 596 2.397 -6.792 20.575 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.579 -8.403 19.872 1.00 0.00 H new ATOM 976 N ASN A 597 1.964 -7.898 13.755 1.00 0.00 N ATOM 977 CA ASN A 597 2.412 -8.666 12.606 1.00 0.00 C ATOM 978 C ASN A 597 2.655 -7.719 11.428 1.00 0.00 C ATOM 979 O ASN A 597 1.889 -7.710 10.466 1.00 0.00 O ATOM 980 CB ASN A 597 1.355 -9.687 12.180 1.00 0.00 C ATOM 981 CG ASN A 597 1.674 -11.073 12.745 1.00 0.00 C ATOM 982 OD1 ASN A 597 2.549 -11.779 12.271 1.00 0.00 O ATOM 983 ND2 ASN A 597 0.917 -11.422 13.781 1.00 0.00 N ATOM 0 H ASN A 597 1.347 -7.117 13.532 1.00 0.00 H new ATOM 0 HA ASN A 597 3.327 -9.188 12.886 1.00 0.00 H new ATOM 0 HB2 ASN A 597 0.373 -9.366 12.527 1.00 0.00 H new ATOM 0 HB3 ASN A 597 1.308 -9.735 11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 597 1.052 -12.329 14.229 1.00 0.00 H new ATOM 0 HD22 ASN A 597 0.202 -10.783 14.128 1.00 0.00 H new ATOM 990 N TRP A 598 3.725 -6.946 11.543 1.00 0.00 N ATOM 991 CA TRP A 598 4.078 -5.998 10.501 1.00 0.00 C ATOM 992 C TRP A 598 5.108 -6.664 9.586 1.00 0.00 C ATOM 993 O TRP A 598 5.979 -7.395 10.055 1.00 0.00 O ATOM 994 CB TRP A 598 4.575 -4.681 11.102 1.00 0.00 C ATOM 995 CG TRP A 598 3.518 -3.931 11.914 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.808 -4.379 12.959 1.00 0.00 C ATOM 997 CD2 TRP A 598 3.078 -2.572 11.706 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.946 -3.413 13.437 1.00 0.00 N ATOM 999 CE2 TRP A 598 2.116 -2.279 12.651 1.00 0.00 C ATOM 1000 CE3 TRP A 598 3.480 -1.622 10.751 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 1.475 -1.037 12.733 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 2.830 -0.386 10.846 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.859 -0.075 11.791 1.00 0.00 C ATOM 0 H TRP A 598 4.359 -6.957 12.342 1.00 0.00 H new ATOM 0 HA TRP A 598 3.203 -5.734 9.907 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.433 -4.886 11.743 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.926 -4.035 10.297 1.00 0.00 H new ATOM 0 HD1 TRP A 598 2.899 -5.372 13.375 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.303 -3.513 14.222 1.00 0.00 H new ATOM 0 HE3 TRP A 598 4.231 -1.829 10.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.725 -0.832 13.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 3.102 0.380 10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 598 1.403 0.904 11.798 1.00 0.00 H new ATOM 1014 N ASP A 599 4.975 -6.386 8.297 1.00 0.00 N ATOM 1015 CA ASP A 599 5.884 -6.949 7.313 1.00 0.00 C ATOM 1016 C ASP A 599 6.465 -5.822 6.458 1.00 0.00 C ATOM 1017 O ASP A 599 6.963 -6.064 5.359 1.00 0.00 O ATOM 1018 CB ASP A 599 5.154 -7.920 6.382 1.00 0.00 C ATOM 1019 CG ASP A 599 6.055 -8.925 5.661 1.00 0.00 C ATOM 1020 OD1 ASP A 599 7.283 -8.760 5.611 1.00 0.00 O ATOM 1021 OD2 ASP A 599 5.440 -9.925 5.128 1.00 0.00 O ATOM 0 H ASP A 599 4.252 -5.779 7.912 1.00 0.00 H new ATOM 0 HA ASP A 599 6.671 -7.482 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.414 -8.470 6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 599 4.608 -7.343 5.635 1.00 0.00 H new ATOM 1027 N SER A 600 6.382 -4.613 6.994 1.00 0.00 N ATOM 1028 CA SER A 600 6.894 -3.447 6.294 1.00 0.00 C ATOM 1029 C SER A 600 8.417 -3.534 6.176 1.00 0.00 C ATOM 1030 O SER A 600 8.937 -4.210 5.290 1.00 0.00 O ATOM 1031 CB SER A 600 6.490 -2.155 7.007 1.00 0.00 C ATOM 1032 OG SER A 600 6.915 -2.140 8.367 1.00 0.00 O ATOM 0 H SER A 600 5.968 -4.416 7.905 1.00 0.00 H new ATOM 0 HA SER A 600 6.459 -3.430 5.295 1.00 0.00 H new ATOM 0 HB2 SER A 600 6.921 -1.302 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 600 5.407 -2.041 6.964 1.00 0.00 H new ATOM 0 HG SER A 600 6.640 -1.298 8.787 1.00 0.00 H new ATOM 1038 N ASN A 601 9.089 -2.840 7.083 1.00 0.00 N ATOM 1039 CA ASN A 601 10.542 -2.830 7.092 1.00 0.00 C ATOM 1040 C ASN A 601 11.036 -2.212 8.401 1.00 0.00 C ATOM 1041 O ASN A 601 12.090 -1.579 8.434 1.00 0.00 O ATOM 1042 CB ASN A 601 11.094 -1.993 5.936 1.00 0.00 C ATOM 1043 CG ASN A 601 12.323 -2.660 5.314 1.00 0.00 C ATOM 1044 OD1 ASN A 601 12.235 -3.409 4.355 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.469 -2.347 5.911 1.00 0.00 N ATOM 0 H ASN A 601 8.654 -2.281 7.817 1.00 0.00 H new ATOM 0 HA ASN A 601 10.887 -3.859 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.323 -1.862 5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.358 -0.999 6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.346 -2.741 5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.471 -1.713 6.710 1.00 0.00 H new ATOM 1052 N ASN A 602 10.251 -2.419 9.449 1.00 0.00 N ATOM 1053 CA ASN A 602 10.596 -1.890 10.757 1.00 0.00 C ATOM 1054 C ASN A 602 10.169 -0.422 10.838 1.00 0.00 C ATOM 1055 O ASN A 602 9.440 -0.033 11.749 1.00 0.00 O ATOM 1056 CB ASN A 602 12.105 -1.957 10.999 1.00 0.00 C ATOM 1057 CG ASN A 602 12.413 -2.216 12.475 1.00 0.00 C ATOM 1058 OD1 ASN A 602 11.608 -2.753 13.219 1.00 0.00 O ATOM 1059 ND2 ASN A 602 13.619 -1.806 12.856 1.00 0.00 N ATOM 0 H ASN A 602 9.378 -2.946 9.418 1.00 0.00 H new ATOM 0 HA ASN A 602 10.084 -2.491 11.509 1.00 0.00 H new ATOM 0 HB2 ASN A 602 12.540 -2.749 10.389 1.00 0.00 H new ATOM 0 HB3 ASN A 602 12.569 -1.022 10.686 1.00 0.00 H new ATOM 0 HD21 ASN A 602 13.919 -1.934 13.822 1.00 0.00 H new ATOM 0 HD22 ASN A 602 14.244 -1.364 12.182 1.00 0.00 H new ATOM 1066 N THR A 603 10.642 0.352 9.872 1.00 0.00 N ATOM 1067 CA THR A 603 10.318 1.768 9.822 1.00 0.00 C ATOM 1068 C THR A 603 10.914 2.407 8.566 1.00 0.00 C ATOM 1069 O THR A 603 11.318 3.568 8.589 1.00 0.00 O ATOM 1070 CB THR A 603 10.808 2.410 11.122 1.00 0.00 C ATOM 1071 OG1 THR A 603 10.043 3.608 11.227 1.00 0.00 O ATOM 1072 CG2 THR A 603 12.254 2.900 11.024 1.00 0.00 C ATOM 0 H THR A 603 11.247 0.026 9.118 1.00 0.00 H new ATOM 0 HA THR A 603 9.242 1.926 9.749 1.00 0.00 H new ATOM 0 HB THR A 603 10.722 1.691 11.937 1.00 0.00 H new ATOM 0 HG1 THR A 603 10.204 4.169 10.440 1.00 0.00 H new ATOM 0 HG21 THR A 603 12.552 3.347 11.973 1.00 0.00 H new ATOM 0 HG22 THR A 603 12.909 2.058 10.798 1.00 0.00 H new ATOM 0 HG23 THR A 603 12.333 3.644 10.232 1.00 0.00 H new ATOM 1080 N LYS A 604 10.948 1.620 7.501 1.00 0.00 N ATOM 1081 CA LYS A 604 11.487 2.095 6.237 1.00 0.00 C ATOM 1082 C LYS A 604 10.408 1.994 5.158 1.00 0.00 C ATOM 1083 O LYS A 604 10.291 2.876 4.308 1.00 0.00 O ATOM 1084 CB LYS A 604 12.776 1.348 5.890 1.00 0.00 C ATOM 1085 CG LYS A 604 14.007 2.158 6.301 1.00 0.00 C ATOM 1086 CD LYS A 604 14.885 1.367 7.272 1.00 0.00 C ATOM 1087 CE LYS A 604 16.174 0.902 6.592 1.00 0.00 C ATOM 1088 NZ LYS A 604 17.356 1.474 7.275 1.00 0.00 N ATOM 0 H LYS A 604 10.611 0.657 7.487 1.00 0.00 H new ATOM 0 HA LYS A 604 11.766 3.146 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 604 12.787 0.382 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 604 12.808 1.149 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.585 2.422 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 604 13.693 3.092 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 604 15.128 1.987 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 604 14.334 0.503 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 604 16.229 -0.187 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 604 16.170 1.205 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 18.222 1.148 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 17.310 2.512 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 17.367 1.164 8.268 1.00 0.00 H new ATOM 1101 N ASN A 605 9.647 0.912 5.226 1.00 0.00 N ATOM 1102 CA ASN A 605 8.581 0.685 4.264 1.00 0.00 C ATOM 1103 C ASN A 605 9.070 1.071 2.867 1.00 0.00 C ATOM 1104 O ASN A 605 10.271 1.212 2.643 1.00 0.00 O ATOM 1105 CB ASN A 605 7.355 1.540 4.589 1.00 0.00 C ATOM 1106 CG ASN A 605 7.499 2.209 5.957 1.00 0.00 C ATOM 1107 OD1 ASN A 605 8.026 3.302 6.090 1.00 0.00 O ATOM 1108 ND2 ASN A 605 7.004 1.495 6.963 1.00 0.00 N ATOM 0 H ASN A 605 9.747 0.183 5.932 1.00 0.00 H new ATOM 0 HA ASN A 605 8.307 -0.369 4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 605 7.224 2.301 3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 605 6.460 0.918 4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 605 7.052 1.855 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 605 6.576 0.587 6.782 1.00 0.00 H new ATOM 1115 N TYR A 606 8.114 1.230 1.963 1.00 0.00 N ATOM 1116 CA TYR A 606 8.433 1.596 0.594 1.00 0.00 C ATOM 1117 C TYR A 606 7.579 2.778 0.130 1.00 0.00 C ATOM 1118 O TYR A 606 6.403 2.873 0.478 1.00 0.00 O ATOM 1119 CB TYR A 606 8.095 0.372 -0.260 1.00 0.00 C ATOM 1120 CG TYR A 606 8.797 -0.911 0.187 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.120 -1.125 -0.142 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.107 -1.856 0.921 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.781 -2.334 0.279 1.00 0.00 C ATOM 1124 CE2 TYR A 606 8.768 -3.064 1.342 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.072 -3.243 1.000 1.00 0.00 C ATOM 1126 OH TYR A 606 10.696 -4.384 1.398 1.00 0.00 O ATOM 0 H TYR A 606 7.119 1.112 2.152 1.00 0.00 H new ATOM 0 HA TYR A 606 9.479 1.889 0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.017 0.211 -0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.364 0.579 -1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.660 -0.386 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.072 -1.689 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 606 11.816 -2.514 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.240 -3.811 1.916 1.00 0.00 H new ATOM 0 HH TYR A 606 11.240 -4.199 2.192 1.00 0.00 H new ATOM 1136 N LEU A 607 8.204 3.649 -0.649 1.00 0.00 N ATOM 1137 CA LEU A 607 7.516 4.821 -1.164 1.00 0.00 C ATOM 1138 C LEU A 607 7.069 4.553 -2.602 1.00 0.00 C ATOM 1139 O LEU A 607 7.859 4.100 -3.428 1.00 0.00 O ATOM 1140 CB LEU A 607 8.394 6.065 -1.015 1.00 0.00 C ATOM 1141 CG LEU A 607 8.312 6.786 0.332 1.00 0.00 C ATOM 1142 CD1 LEU A 607 9.143 6.061 1.393 1.00 0.00 C ATOM 1143 CD2 LEU A 607 8.716 8.255 0.194 1.00 0.00 C ATOM 0 H LEU A 607 9.179 3.567 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 607 6.616 5.022 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.431 5.776 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.125 6.772 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 607 7.275 6.768 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.068 6.594 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 607 8.768 5.045 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 607 10.186 6.027 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.649 8.744 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 607 9.740 8.318 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 607 8.047 8.752 -0.509 1.00 0.00 H new ATOM 1155 N PHE A 608 5.801 4.844 -2.858 1.00 0.00 N ATOM 1156 CA PHE A 608 5.239 4.640 -4.182 1.00 0.00 C ATOM 1157 C PHE A 608 4.685 5.948 -4.749 1.00 0.00 C ATOM 1158 O PHE A 608 4.155 6.775 -4.009 1.00 0.00 O ATOM 1159 CB PHE A 608 4.093 3.637 -4.031 1.00 0.00 C ATOM 1160 CG PHE A 608 4.397 2.485 -3.072 1.00 0.00 C ATOM 1161 CD1 PHE A 608 5.047 1.378 -3.522 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.016 2.567 -1.768 1.00 0.00 C ATOM 1163 CE1 PHE A 608 5.329 0.309 -2.631 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.298 1.497 -0.878 1.00 0.00 C ATOM 1165 CZ PHE A 608 4.949 0.391 -1.328 1.00 0.00 C ATOM 0 H PHE A 608 5.148 5.219 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 608 6.010 4.278 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.206 4.164 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 608 3.852 3.226 -5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 608 5.349 1.312 -4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.499 3.445 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 608 5.846 -0.570 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 608 3.995 1.562 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 608 5.164 -0.422 -0.651 1.00 0.00 H new ATOM 1175 N SER A 609 4.825 6.094 -6.059 1.00 0.00 N ATOM 1176 CA SER A 609 4.345 7.288 -6.734 1.00 0.00 C ATOM 1177 C SER A 609 3.136 6.945 -7.606 1.00 0.00 C ATOM 1178 O SER A 609 2.887 5.776 -7.896 1.00 0.00 O ATOM 1179 CB SER A 609 5.449 7.922 -7.583 1.00 0.00 C ATOM 1180 OG SER A 609 5.006 9.109 -8.235 1.00 0.00 O ATOM 0 H SER A 609 5.264 5.405 -6.670 1.00 0.00 H new ATOM 0 HA SER A 609 4.045 8.012 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.305 8.154 -6.950 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.790 7.204 -8.329 1.00 0.00 H new ATOM 0 HG SER A 609 5.143 9.878 -7.643 1.00 0.00 H new ATOM 1186 N THR A 610 2.416 7.985 -7.999 1.00 0.00 N ATOM 1187 CA THR A 610 1.238 7.809 -8.832 1.00 0.00 C ATOM 1188 C THR A 610 1.480 6.713 -9.873 1.00 0.00 C ATOM 1189 O THR A 610 2.625 6.397 -10.191 1.00 0.00 O ATOM 1190 CB THR A 610 0.887 9.165 -9.448 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.104 9.599 -10.048 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.593 10.230 -8.389 1.00 0.00 C ATOM 0 H THR A 610 2.625 8.953 -7.756 1.00 0.00 H new ATOM 0 HA THR A 610 0.384 7.473 -8.244 1.00 0.00 H new ATOM 0 HB THR A 610 0.022 9.054 -10.102 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.966 10.471 -10.473 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.350 11.173 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.250 9.911 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.470 10.366 -7.756 1.00 0.00 H new ATOM 1200 N GLY A 611 0.383 6.164 -10.373 1.00 0.00 N ATOM 1201 CA GLY A 611 0.462 5.111 -11.371 1.00 0.00 C ATOM 1202 C GLY A 611 -0.041 3.781 -10.806 1.00 0.00 C ATOM 1203 O GLY A 611 -0.822 3.762 -9.855 1.00 0.00 O ATOM 0 H GLY A 611 -0.565 6.428 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.130 5.387 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.493 5.001 -11.708 1.00 0.00 H new ATOM 1207 N THR A 612 0.426 2.701 -11.414 1.00 0.00 N ATOM 1208 CA THR A 612 0.033 1.370 -10.983 1.00 0.00 C ATOM 1209 C THR A 612 1.247 0.599 -10.460 1.00 0.00 C ATOM 1210 O THR A 612 2.245 0.453 -11.164 1.00 0.00 O ATOM 1211 CB THR A 612 -0.665 0.681 -12.157 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.416 1.722 -12.774 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.726 -0.323 -11.699 1.00 0.00 C ATOM 0 H THR A 612 1.073 2.720 -12.202 1.00 0.00 H new ATOM 0 HA THR A 612 -0.668 1.414 -10.150 1.00 0.00 H new ATOM 0 HB THR A 612 0.077 0.171 -12.772 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.899 1.363 -13.547 1.00 0.00 H new ATOM 0 HG21 THR A 612 -2.191 -0.784 -12.570 1.00 0.00 H new ATOM 0 HG22 THR A 612 -1.257 -1.094 -11.088 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.486 0.193 -11.112 1.00 0.00 H new ATOM 1221 N SER A 613 1.122 0.126 -9.229 1.00 0.00 N ATOM 1222 CA SER A 613 2.196 -0.626 -8.603 1.00 0.00 C ATOM 1223 C SER A 613 1.640 -1.903 -7.969 1.00 0.00 C ATOM 1224 O SER A 613 0.451 -1.981 -7.662 1.00 0.00 O ATOM 1225 CB SER A 613 2.919 0.217 -7.552 1.00 0.00 C ATOM 1226 OG SER A 613 2.103 0.460 -6.409 1.00 0.00 O ATOM 0 H SER A 613 0.293 0.249 -8.648 1.00 0.00 H new ATOM 0 HA SER A 613 2.919 -0.895 -9.373 1.00 0.00 H new ATOM 0 HB2 SER A 613 3.832 -0.293 -7.244 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.218 1.168 -7.993 1.00 0.00 H new ATOM 0 HG SER A 613 1.219 0.769 -6.698 1.00 0.00 H new ATOM 1232 N THR A 614 2.526 -2.872 -7.792 1.00 0.00 N ATOM 1233 CA THR A 614 2.139 -4.141 -7.200 1.00 0.00 C ATOM 1234 C THR A 614 3.154 -4.565 -6.136 1.00 0.00 C ATOM 1235 O THR A 614 4.310 -4.842 -6.452 1.00 0.00 O ATOM 1236 CB THR A 614 1.981 -5.161 -8.330 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.268 -4.453 -9.340 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.047 -6.313 -7.952 1.00 0.00 C ATOM 0 H THR A 614 3.511 -2.804 -8.048 1.00 0.00 H new ATOM 0 HA THR A 614 1.185 -4.060 -6.680 1.00 0.00 H new ATOM 0 HB THR A 614 2.959 -5.560 -8.598 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.262 -4.980 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 614 0.970 -7.008 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.446 -6.835 -7.082 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.059 -5.918 -7.716 1.00 0.00 H new ATOM 1246 N TYR A 615 2.684 -4.602 -4.898 1.00 0.00 N ATOM 1247 CA TYR A 615 3.536 -4.987 -3.786 1.00 0.00 C ATOM 1248 C TYR A 615 3.333 -6.460 -3.425 1.00 0.00 C ATOM 1249 O TYR A 615 2.262 -6.848 -2.963 1.00 0.00 O ATOM 1250 CB TYR A 615 3.103 -4.120 -2.602 1.00 0.00 C ATOM 1251 CG TYR A 615 3.665 -4.580 -1.255 1.00 0.00 C ATOM 1252 CD1 TYR A 615 4.959 -4.257 -0.901 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.877 -5.317 -0.395 1.00 0.00 C ATOM 1254 CE1 TYR A 615 5.488 -4.689 0.366 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.406 -5.749 0.873 1.00 0.00 C ATOM 1256 CZ TYR A 615 4.685 -5.414 1.191 1.00 0.00 C ATOM 1257 OH TYR A 615 5.185 -5.822 2.388 1.00 0.00 O ATOM 0 H TYR A 615 1.724 -4.372 -4.640 1.00 0.00 H new ATOM 0 HA TYR A 615 4.587 -4.850 -4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 615 3.418 -3.092 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 615 2.014 -4.115 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 615 5.575 -3.680 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 615 1.864 -5.570 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 615 6.499 -4.443 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 615 2.800 -6.326 1.556 1.00 0.00 H new ATOM 0 HH TYR A 615 4.501 -6.329 2.873 1.00 0.00 H new ATOM 1267 N THR A 616 4.380 -7.241 -3.649 1.00 0.00 N ATOM 1268 CA THR A 616 4.331 -8.663 -3.353 1.00 0.00 C ATOM 1269 C THR A 616 5.293 -9.004 -2.214 1.00 0.00 C ATOM 1270 O THR A 616 6.501 -9.097 -2.424 1.00 0.00 O ATOM 1271 CB THR A 616 4.626 -9.425 -4.647 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.541 -9.085 -5.505 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.503 -10.941 -4.474 1.00 0.00 C ATOM 0 H THR A 616 5.268 -6.916 -4.032 1.00 0.00 H new ATOM 0 HA THR A 616 3.343 -8.960 -3.001 1.00 0.00 H new ATOM 0 HB THR A 616 5.630 -9.179 -4.993 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.653 -9.535 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.722 -11.434 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.210 -11.279 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.489 -11.190 -4.161 1.00 0.00 H new ATOM 1281 N PRO A 617 4.705 -9.186 -1.001 1.00 0.00 N ATOM 1282 CA PRO A 617 5.497 -9.515 0.172 1.00 0.00 C ATOM 1283 C PRO A 617 5.951 -10.976 0.135 1.00 0.00 C ATOM 1284 O PRO A 617 5.581 -11.722 -0.770 1.00 0.00 O ATOM 1285 CB PRO A 617 4.595 -9.204 1.356 1.00 0.00 C ATOM 1286 CG PRO A 617 3.181 -9.155 0.800 1.00 0.00 C ATOM 1287 CD PRO A 617 3.277 -9.083 -0.715 1.00 0.00 C ATOM 0 HA PRO A 617 6.421 -8.940 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 617 4.685 -9.969 2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 617 4.867 -8.254 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.620 -10.038 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 617 2.647 -8.288 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.719 -9.892 -1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.864 -8.148 -1.094 1.00 0.00 H new ATOM 1295 N GLY A 618 6.748 -11.340 1.129 1.00 0.00 N ATOM 1296 CA GLY A 618 7.257 -12.698 1.221 1.00 0.00 C ATOM 1297 C GLY A 618 6.324 -13.578 2.056 1.00 0.00 C ATOM 1298 O GLY A 618 5.136 -13.285 2.182 1.00 0.00 O ATOM 0 H GLY A 618 7.054 -10.718 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 618 7.362 -13.119 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 618 8.251 -12.688 1.669 1.00 0.00 H new ATOM 1302 N SER A 619 6.899 -14.637 2.607 1.00 0.00 N ATOM 1303 CA SER A 619 6.134 -15.561 3.427 1.00 0.00 C ATOM 1304 C SER A 619 6.921 -15.915 4.690 1.00 0.00 C ATOM 1305 O SER A 619 6.850 -17.043 5.175 1.00 0.00 O ATOM 1306 CB SER A 619 5.784 -16.831 2.647 1.00 0.00 C ATOM 1307 OG SER A 619 6.944 -17.591 2.319 1.00 0.00 O ATOM 0 H SER A 619 7.885 -14.876 2.502 1.00 0.00 H new ATOM 0 HA SER A 619 5.202 -15.073 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 619 5.104 -17.444 3.238 1.00 0.00 H new ATOM 0 HB3 SER A 619 5.256 -16.561 1.732 1.00 0.00 H new ATOM 0 HG SER A 619 6.680 -18.394 1.823 1.00 0.00 H new ATOM 1313 N ASN A 620 7.654 -14.929 5.187 1.00 0.00 N ATOM 1314 CA ASN A 620 8.454 -15.121 6.385 1.00 0.00 C ATOM 1315 C ASN A 620 9.217 -13.832 6.696 1.00 0.00 C ATOM 1316 O ASN A 620 10.446 -13.808 6.652 1.00 0.00 O ATOM 1317 CB ASN A 620 9.478 -16.241 6.189 1.00 0.00 C ATOM 1318 CG ASN A 620 9.877 -16.860 7.531 1.00 0.00 C ATOM 1319 OD1 ASN A 620 9.729 -16.266 8.586 1.00 0.00 O ATOM 1320 ND2 ASN A 620 10.389 -18.083 7.431 1.00 0.00 N ATOM 0 H ASN A 620 7.711 -13.995 4.782 1.00 0.00 H new ATOM 0 HA ASN A 620 7.781 -15.385 7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 620 9.061 -17.010 5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 620 10.363 -15.847 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 620 10.686 -18.582 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 620 10.485 -18.522 6.516 1.00 0.00 H new ATOM 1327 N GLY A 621 8.456 -12.792 7.004 1.00 0.00 N ATOM 1328 CA GLY A 621 9.045 -11.502 7.322 1.00 0.00 C ATOM 1329 C GLY A 621 10.269 -11.227 6.446 1.00 0.00 C ATOM 1330 O GLY A 621 11.316 -10.820 6.946 1.00 0.00 O ATOM 0 H GLY A 621 7.437 -12.816 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 621 8.305 -10.715 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 621 9.333 -11.479 8.373 1.00 0.00 H new ATOM 1334 N ALA A 622 10.095 -11.460 5.153 1.00 0.00 N ATOM 1335 CA ALA A 622 11.173 -11.242 4.202 1.00 0.00 C ATOM 1336 C ALA A 622 10.703 -10.267 3.121 1.00 0.00 C ATOM 1337 O ALA A 622 9.930 -10.637 2.239 1.00 0.00 O ATOM 1338 CB ALA A 622 11.620 -12.585 3.621 1.00 0.00 C ATOM 0 H ALA A 622 9.225 -11.797 4.742 1.00 0.00 H new ATOM 0 HA ALA A 622 12.037 -10.796 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 622 12.428 -12.422 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.971 -13.231 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.780 -13.060 3.115 1.00 0.00 H new ATOM 1344 N ALA A 623 11.190 -9.039 3.224 1.00 0.00 N ATOM 1345 CA ALA A 623 10.830 -8.008 2.266 1.00 0.00 C ATOM 1346 C ALA A 623 10.758 -8.621 0.867 1.00 0.00 C ATOM 1347 O ALA A 623 11.747 -9.153 0.366 1.00 0.00 O ATOM 1348 CB ALA A 623 11.839 -6.860 2.348 1.00 0.00 C ATOM 0 H ALA A 623 11.831 -8.735 3.957 1.00 0.00 H new ATOM 0 HA ALA A 623 9.848 -7.596 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 623 11.569 -6.086 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 623 11.831 -6.440 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 623 12.837 -7.235 2.120 1.00 0.00 H new ATOM 1354 N GLY A 624 9.576 -8.526 0.274 1.00 0.00 N ATOM 1355 CA GLY A 624 9.362 -9.065 -1.058 1.00 0.00 C ATOM 1356 C GLY A 624 9.879 -8.103 -2.129 1.00 0.00 C ATOM 1357 O GLY A 624 11.024 -7.657 -2.067 1.00 0.00 O ATOM 0 H GLY A 624 8.757 -8.084 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.869 -10.025 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 624 8.299 -9.250 -1.213 1.00 0.00 H new ATOM 1361 N THR A 625 9.011 -7.810 -3.086 1.00 0.00 N ATOM 1362 CA THR A 625 9.366 -6.909 -4.168 1.00 0.00 C ATOM 1363 C THR A 625 8.121 -6.193 -4.696 1.00 0.00 C ATOM 1364 O THR A 625 6.998 -6.628 -4.447 1.00 0.00 O ATOM 1365 CB THR A 625 10.100 -7.720 -5.238 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.099 -8.589 -5.762 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.141 -8.669 -4.641 1.00 0.00 C ATOM 0 H THR A 625 8.062 -8.181 -3.134 1.00 0.00 H new ATOM 0 HA THR A 625 10.034 -6.120 -3.822 1.00 0.00 H new ATOM 0 HB THR A 625 10.587 -7.041 -5.938 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.488 -9.151 -6.464 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.633 -9.220 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.883 -8.093 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.650 -9.370 -3.967 1.00 0.00 H new ATOM 1375 N ILE A 626 8.363 -5.107 -5.417 1.00 0.00 N ATOM 1376 CA ILE A 626 7.275 -4.327 -5.982 1.00 0.00 C ATOM 1377 C ILE A 626 7.432 -4.268 -7.503 1.00 0.00 C ATOM 1378 O ILE A 626 8.535 -4.068 -8.009 1.00 0.00 O ATOM 1379 CB ILE A 626 7.202 -2.951 -5.318 1.00 0.00 C ATOM 1380 CG1 ILE A 626 8.131 -2.877 -4.105 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.759 -2.592 -4.957 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.031 -1.513 -3.419 1.00 0.00 C ATOM 0 H ILE A 626 9.296 -4.750 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 626 6.317 -4.805 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 626 7.549 -2.207 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 626 7.873 -3.664 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 626 9.159 -3.055 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 626 5.735 -1.609 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 626 5.151 -2.576 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 626 5.361 -3.335 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.702 -1.488 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 626 8.313 -0.730 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 626 7.007 -1.348 -3.085 1.00 0.00 H new ATOM 1394 N ARG A 627 6.312 -4.447 -8.188 1.00 0.00 N ATOM 1395 CA ARG A 627 6.312 -4.417 -9.641 1.00 0.00 C ATOM 1396 C ARG A 627 5.318 -3.371 -10.150 1.00 0.00 C ATOM 1397 O ARG A 627 4.132 -3.429 -9.829 1.00 0.00 O ATOM 1398 CB ARG A 627 5.944 -5.784 -10.220 1.00 0.00 C ATOM 1399 CG ARG A 627 7.119 -6.386 -10.993 1.00 0.00 C ATOM 1400 CD ARG A 627 7.789 -7.503 -10.189 1.00 0.00 C ATOM 1401 NE ARG A 627 8.134 -8.632 -11.081 1.00 0.00 N ATOM 1402 CZ ARG A 627 7.223 -9.410 -11.704 1.00 0.00 C ATOM 1403 NH1 ARG A 627 5.902 -9.186 -11.536 1.00 0.00 N ATOM 1404 NH2 ARG A 627 7.643 -10.392 -12.479 1.00 0.00 N ATOM 0 H ARG A 627 5.399 -4.613 -7.764 1.00 0.00 H new ATOM 0 HA ARG A 627 7.319 -4.156 -9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 627 5.651 -6.457 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.083 -5.683 -10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 627 6.768 -6.780 -11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.848 -5.608 -11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 627 8.689 -7.124 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.121 -7.844 -9.399 1.00 0.00 H new ATOM 0 HE ARG A 627 9.122 -8.835 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 627 5.586 -8.425 -10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 627 5.220 -9.778 -12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 627 8.643 -10.554 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 627 6.968 -10.989 -12.957 1.00 0.00 H new ATOM 1417 N THR A 628 5.838 -2.439 -10.935 1.00 0.00 N ATOM 1418 CA THR A 628 5.011 -1.382 -11.491 1.00 0.00 C ATOM 1419 C THR A 628 4.170 -1.917 -12.652 1.00 0.00 C ATOM 1420 O THR A 628 4.593 -2.829 -13.361 1.00 0.00 O ATOM 1421 CB THR A 628 5.928 -0.224 -11.889 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.191 -0.572 -11.328 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.557 1.085 -11.188 1.00 0.00 C ATOM 0 H THR A 628 6.822 -2.394 -11.199 1.00 0.00 H new ATOM 0 HA THR A 628 4.296 -1.012 -10.756 1.00 0.00 H new ATOM 0 HB THR A 628 5.885 -0.082 -12.969 1.00 0.00 H new ATOM 0 HG1 THR A 628 7.846 0.125 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.239 1.874 -11.506 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.536 1.361 -11.450 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.632 0.954 -10.109 1.00 0.00 H new ATOM 1431 N GLY A 629 2.994 -1.328 -12.810 1.00 0.00 N ATOM 1432 CA GLY A 629 2.090 -1.735 -13.872 1.00 0.00 C ATOM 1433 C GLY A 629 0.894 -2.505 -13.310 1.00 0.00 C ATOM 1434 O GLY A 629 1.042 -3.296 -12.379 1.00 0.00 O ATOM 0 H GLY A 629 2.646 -0.572 -12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 629 1.739 -0.856 -14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 629 2.624 -2.358 -14.589 1.00 0.00 H new ATOM 1438 N ALA A 630 -0.265 -2.248 -13.898 1.00 0.00 N ATOM 1439 CA ALA A 630 -1.486 -2.907 -13.467 1.00 0.00 C ATOM 1440 C ALA A 630 -1.325 -4.421 -13.622 1.00 0.00 C ATOM 1441 O ALA A 630 -1.132 -4.918 -14.730 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.671 -2.362 -14.267 1.00 0.00 C ATOM 0 H ALA A 630 -0.384 -1.592 -14.670 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.682 -2.702 -12.415 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -3.587 -2.857 -13.943 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.760 -1.289 -14.100 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.512 -2.552 -15.328 1.00 0.00 H new ATOM 1448 N PRO A 631 -1.413 -5.130 -12.464 1.00 0.00 N ATOM 1449 CA PRO A 631 -1.279 -6.576 -12.461 1.00 0.00 C ATOM 1450 C PRO A 631 -2.543 -7.245 -13.007 1.00 0.00 C ATOM 1451 O PRO A 631 -3.626 -6.665 -12.960 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.992 -6.941 -11.014 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.434 -5.745 -10.186 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.641 -4.574 -11.134 1.00 0.00 C ATOM 0 HA PRO A 631 -0.478 -6.926 -13.113 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.536 -7.840 -10.723 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.068 -7.148 -10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.356 -5.971 -9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.682 -5.501 -9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.647 -4.164 -11.043 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.945 -3.763 -10.919 1.00 0.00 H new ATOM 1462 N SER A 632 -2.361 -8.457 -13.511 1.00 0.00 N ATOM 1463 CA SER A 632 -3.473 -9.210 -14.066 1.00 0.00 C ATOM 1464 C SER A 632 -3.150 -10.706 -14.052 1.00 0.00 C ATOM 1465 O SER A 632 -2.773 -11.272 -15.077 1.00 0.00 O ATOM 1466 CB SER A 632 -3.796 -8.750 -15.489 1.00 0.00 C ATOM 1467 OG SER A 632 -5.131 -8.265 -15.603 1.00 0.00 O ATOM 0 H SER A 632 -1.461 -8.936 -13.547 1.00 0.00 H new ATOM 0 HA SER A 632 -4.352 -9.028 -13.447 1.00 0.00 H new ATOM 0 HB2 SER A 632 -3.099 -7.966 -15.783 1.00 0.00 H new ATOM 0 HB3 SER A 632 -3.652 -9.580 -16.180 1.00 0.00 H new ATOM 0 HG SER A 632 -5.298 -7.980 -16.526 1.00 0.00 H new ATOM 1473 N GLY A 633 -3.309 -11.302 -12.880 1.00 0.00 N ATOM 1474 CA GLY A 633 -3.038 -12.721 -12.719 1.00 0.00 C ATOM 1475 C GLY A 633 -1.770 -13.126 -13.473 1.00 0.00 C ATOM 1476 O GLY A 633 -1.444 -14.309 -13.555 1.00 0.00 O ATOM 0 H GLY A 633 -3.622 -10.829 -12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -2.927 -12.956 -11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -3.885 -13.301 -13.087 1.00 0.00 H new TER 1480 GLY A 633