USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 673 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 597 MET CE :methyl -107:sc= -2.3 (180deg=-2.61) USER MOD Set 1.2: A 600 MET CE :methyl 158:sc= -3.37 (180deg=-5.11!) USER MOD Set 2.1: A 561 CYS SG : rot 127:sc= -0.857 USER MOD Set 2.2: A 596 MET CE :methyl -119:sc= -3.86! (180deg=-6.16!) USER MOD Set 3.1: A 550 THR OG1 : rot -170:sc= -0.0967 USER MOD Set 3.2: A 552 LYS NZ :NH3+ 141:sc= -0.212 (180deg=-1.46!) USER MOD Single : A 534 SER OG : rot 180:sc= 0 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 537 SER OG : rot -6:sc= 1.03 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 544 ASN : amide:sc= -2.44! X(o=-2.4!,f=-2.3) USER MOD Single : A 553 MET CE :methyl -163:sc= -7.73! (180deg=-10.1!) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -1.13 F(o=-1.7,f=-1.1) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ 164:sc= -0.0116 (180deg=-0.145) USER MOD Single : A 571 MET CE :methyl 179:sc= -0.201 (180deg=-0.204) USER MOD Single : A 573 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 575 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 576 SER OG : rot 39:sc= 0.298 USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 101:sc= -2.09 USER MOD Single : A 598 ASN : amide:sc= -2.98! C(o=-3!,f=-6!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 614 ASN : amide:sc= -0.972! C(o=-0.97!,f=-1.7!) USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 10:sc= 0.52 USER MOD Single : A 620 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 -7.954 21.297 12.715 1.00 0.00 N ATOM 2 CA GLY A 533 -7.138 20.562 11.768 1.00 0.00 C ATOM 3 C GLY A 533 -6.776 21.388 10.550 1.00 0.00 C ATOM 4 O GLY A 533 -5.641 21.845 10.417 1.00 0.00 O ATOM 0 HA2 GLY A 533 -6.225 20.229 12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 533 -7.673 19.667 11.450 1.00 0.00 H new ATOM 8 N SER A 534 -7.742 21.580 9.657 1.00 0.00 N ATOM 9 CA SER A 534 -7.518 22.352 8.441 1.00 0.00 C ATOM 10 C SER A 534 -6.414 21.725 7.595 1.00 0.00 C ATOM 11 O SER A 534 -5.574 22.427 7.032 1.00 0.00 O ATOM 12 CB SER A 534 -7.151 23.796 8.790 1.00 0.00 C ATOM 13 OG SER A 534 -8.308 24.608 8.882 1.00 0.00 O ATOM 0 H SER A 534 -8.688 21.211 9.753 1.00 0.00 H new ATOM 0 HA SER A 534 -8.441 22.349 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 534 -6.611 23.819 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 534 -6.480 24.198 8.031 1.00 0.00 H new ATOM 0 HG SER A 534 -8.047 25.525 9.108 1.00 0.00 H new ATOM 19 N SER A 535 -6.423 20.398 7.511 1.00 0.00 N ATOM 20 CA SER A 535 -5.421 19.675 6.737 1.00 0.00 C ATOM 21 C SER A 535 -5.979 19.259 5.380 1.00 0.00 C ATOM 22 O SER A 535 -7.064 18.687 5.291 1.00 0.00 O ATOM 23 CB SER A 535 -4.946 18.441 7.506 1.00 0.00 C ATOM 24 OG SER A 535 -4.454 18.795 8.787 1.00 0.00 O ATOM 0 H SER A 535 -7.113 19.802 7.969 1.00 0.00 H new ATOM 0 HA SER A 535 -4.574 20.341 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 535 -5.770 17.736 7.612 1.00 0.00 H new ATOM 0 HB3 SER A 535 -4.164 17.935 6.940 1.00 0.00 H new ATOM 0 HG SER A 535 -4.159 17.988 9.258 1.00 0.00 H new ATOM 30 N GLY A 536 -5.227 19.551 4.323 1.00 0.00 N ATOM 31 CA GLY A 536 -5.662 19.201 2.983 1.00 0.00 C ATOM 32 C GLY A 536 -5.199 17.819 2.566 1.00 0.00 C ATOM 33 O GLY A 536 -4.667 17.640 1.470 1.00 0.00 O ATOM 0 H GLY A 536 -4.324 20.024 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -6.750 19.247 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -5.280 19.938 2.276 1.00 0.00 H new ATOM 37 N SER A 537 -5.400 16.840 3.442 1.00 0.00 N ATOM 38 CA SER A 537 -4.994 15.468 3.161 1.00 0.00 C ATOM 39 C SER A 537 -5.717 14.488 4.080 1.00 0.00 C ATOM 40 O SER A 537 -5.425 14.408 5.272 1.00 0.00 O ATOM 41 CB SER A 537 -3.481 15.317 3.326 1.00 0.00 C ATOM 42 OG SER A 537 -2.784 16.024 2.314 1.00 0.00 O ATOM 0 H SER A 537 -5.841 16.971 4.352 1.00 0.00 H new ATOM 0 HA SER A 537 -5.265 15.240 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 537 -3.180 15.688 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 537 -3.211 14.262 3.288 1.00 0.00 H new ATOM 0 HG SER A 537 -3.425 16.380 1.663 1.00 0.00 H new ATOM 48 N SER A 538 -6.664 13.745 3.515 1.00 0.00 N ATOM 49 CA SER A 538 -7.433 12.773 4.283 1.00 0.00 C ATOM 50 C SER A 538 -6.685 11.447 4.383 1.00 0.00 C ATOM 51 O SER A 538 -6.888 10.544 3.573 1.00 0.00 O ATOM 52 CB SER A 538 -8.803 12.552 3.639 1.00 0.00 C ATOM 53 OG SER A 538 -9.635 13.687 3.808 1.00 0.00 O ATOM 0 H SER A 538 -6.917 13.798 2.528 1.00 0.00 H new ATOM 0 HA SER A 538 -7.572 13.169 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 538 -8.679 12.343 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 538 -9.280 11.678 4.083 1.00 0.00 H new ATOM 0 HG SER A 538 -10.504 13.521 3.386 1.00 0.00 H new ATOM 59 N GLY A 539 -5.819 11.337 5.386 1.00 0.00 N ATOM 60 CA GLY A 539 -5.053 10.119 5.575 1.00 0.00 C ATOM 61 C GLY A 539 -5.930 8.931 5.918 1.00 0.00 C ATOM 62 O GLY A 539 -6.738 8.994 6.845 1.00 0.00 O ATOM 0 H GLY A 539 -5.634 12.070 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 539 -4.491 9.902 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.325 10.271 6.371 1.00 0.00 H new ATOM 66 N ILE A 540 -5.773 7.845 5.168 1.00 0.00 N ATOM 67 CA ILE A 540 -6.557 6.639 5.397 1.00 0.00 C ATOM 68 C ILE A 540 -5.979 5.817 6.545 1.00 0.00 C ATOM 69 O ILE A 540 -5.031 6.238 7.208 1.00 0.00 O ATOM 70 CB ILE A 540 -6.622 5.760 4.134 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.263 5.109 3.869 1.00 0.00 C ATOM 72 CG2 ILE A 540 -7.061 6.589 2.935 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.317 3.994 2.848 1.00 0.00 C ATOM 0 H ILE A 540 -5.109 7.776 4.396 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.565 6.963 5.656 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.357 4.971 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.564 5.872 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.869 4.715 4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -7.102 5.955 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -8.048 7.011 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.347 7.396 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.319 3.578 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.990 3.212 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.681 4.387 1.899 1.00 0.00 H new ATOM 85 N PHE A 541 -6.556 4.642 6.773 1.00 0.00 N ATOM 86 CA PHE A 541 -6.097 3.759 7.839 1.00 0.00 C ATOM 87 C PHE A 541 -6.207 2.296 7.420 1.00 0.00 C ATOM 88 O PHE A 541 -7.163 1.900 6.753 1.00 0.00 O ATOM 89 CB PHE A 541 -6.911 3.999 9.113 1.00 0.00 C ATOM 90 CG PHE A 541 -6.142 3.729 10.375 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.967 2.432 10.830 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.597 4.771 11.106 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.260 2.180 11.991 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.888 4.525 12.267 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.721 3.228 12.711 1.00 0.00 C ATOM 0 H PHE A 541 -7.342 4.279 6.234 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.049 3.983 8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.259 5.032 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.797 3.364 9.094 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.388 1.609 10.272 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.727 5.788 10.765 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.129 1.164 12.335 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.465 5.346 12.826 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.170 3.034 13.619 1.00 0.00 H new ATOM 105 N VAL A 542 -5.221 1.498 7.816 1.00 0.00 N ATOM 106 CA VAL A 542 -5.206 0.078 7.483 1.00 0.00 C ATOM 107 C VAL A 542 -5.095 -0.780 8.738 1.00 0.00 C ATOM 108 O VAL A 542 -4.640 -0.314 9.783 1.00 0.00 O ATOM 109 CB VAL A 542 -4.041 -0.263 6.536 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.253 -1.628 5.897 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.885 0.814 5.472 1.00 0.00 C ATOM 0 H VAL A 542 -4.422 1.810 8.368 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.149 -0.140 6.981 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.121 -0.300 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.419 -1.851 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.310 -2.389 6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.182 -1.622 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.057 0.556 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.804 0.886 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.682 1.772 5.951 1.00 0.00 H new ATOM 121 N ARG A 543 -5.513 -2.037 8.628 1.00 0.00 N ATOM 122 CA ARG A 543 -5.461 -2.961 9.754 1.00 0.00 C ATOM 123 C ARG A 543 -5.304 -4.399 9.270 1.00 0.00 C ATOM 124 O ARG A 543 -5.629 -4.719 8.128 1.00 0.00 O ATOM 125 CB ARG A 543 -6.725 -2.832 10.605 1.00 0.00 C ATOM 126 CG ARG A 543 -6.620 -1.780 11.697 1.00 0.00 C ATOM 127 CD ARG A 543 -7.753 -1.907 12.704 1.00 0.00 C ATOM 128 NE ARG A 543 -8.995 -1.322 12.207 1.00 0.00 N ATOM 129 CZ ARG A 543 -10.083 -1.165 12.952 1.00 0.00 C ATOM 130 NH1 ARG A 543 -10.082 -1.546 14.222 1.00 0.00 N ATOM 131 NH2 ARG A 543 -11.176 -0.624 12.427 1.00 0.00 N ATOM 0 H ARG A 543 -5.891 -2.439 7.770 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.594 -2.705 10.363 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.566 -2.587 9.956 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.945 -3.797 11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.663 -1.880 12.210 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.639 -0.786 11.249 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.915 -2.960 12.936 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.468 -1.416 13.634 1.00 0.00 H new ATOM 0 HE ARG A 543 -9.029 -1.017 11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.244 -1.961 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -10.919 -1.424 14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -11.180 -0.329 11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -12.011 -0.504 13.000 1.00 0.00 H new ATOM 145 N ASN A 544 -4.803 -5.262 10.148 1.00 0.00 N ATOM 146 CA ASN A 544 -4.602 -6.667 9.811 1.00 0.00 C ATOM 147 C ASN A 544 -3.390 -6.839 8.900 1.00 0.00 C ATOM 148 O ASN A 544 -3.335 -7.766 8.090 1.00 0.00 O ATOM 149 CB ASN A 544 -5.850 -7.233 9.130 1.00 0.00 C ATOM 150 CG ASN A 544 -5.908 -8.747 9.197 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.592 -9.316 10.048 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.189 -9.406 8.296 1.00 0.00 N ATOM 0 H ASN A 544 -4.529 -5.013 11.098 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.421 -7.215 10.736 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.739 -6.817 9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.866 -6.917 8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.189 -10.426 8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.637 -8.892 7.609 1.00 0.00 H new ATOM 159 N LEU A 545 -2.421 -5.941 9.038 1.00 0.00 N ATOM 160 CA LEU A 545 -1.208 -5.994 8.228 1.00 0.00 C ATOM 161 C LEU A 545 -0.213 -6.996 8.803 1.00 0.00 C ATOM 162 O LEU A 545 -0.043 -7.113 10.017 1.00 0.00 O ATOM 163 CB LEU A 545 -0.565 -4.608 8.147 1.00 0.00 C ATOM 164 CG LEU A 545 -1.396 -3.521 7.465 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.906 -2.140 7.870 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.347 -3.684 5.952 1.00 0.00 C ATOM 0 H LEU A 545 -2.451 -5.168 9.703 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.484 -6.319 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.332 -4.278 9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.383 -4.700 7.616 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.431 -3.625 7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.510 -1.380 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -0.993 -2.025 8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.137 -2.023 7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.944 -2.902 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.315 -3.607 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.747 -4.660 5.678 1.00 0.00 H new ATOM 178 N PRO A 546 0.464 -7.736 7.912 1.00 0.00 N ATOM 179 CA PRO A 546 1.457 -8.739 8.307 1.00 0.00 C ATOM 180 C PRO A 546 2.718 -8.109 8.889 1.00 0.00 C ATOM 181 O PRO A 546 3.111 -7.010 8.499 1.00 0.00 O ATOM 182 CB PRO A 546 1.775 -9.459 6.995 1.00 0.00 C ATOM 183 CG PRO A 546 1.465 -8.463 5.931 1.00 0.00 C ATOM 184 CD PRO A 546 0.313 -7.649 6.450 1.00 0.00 C ATOM 0 HA PRO A 546 1.082 -9.398 9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.820 -9.768 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.172 -10.360 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.328 -7.830 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.203 -8.959 4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.361 -6.617 6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.645 -8.052 6.120 1.00 0.00 H new ATOM 192 N PHE A 547 3.349 -8.814 9.823 1.00 0.00 N ATOM 193 CA PHE A 547 4.566 -8.323 10.459 1.00 0.00 C ATOM 194 C PHE A 547 5.593 -7.898 9.413 1.00 0.00 C ATOM 195 O PHE A 547 6.012 -6.741 9.373 1.00 0.00 O ATOM 196 CB PHE A 547 5.162 -9.400 11.367 1.00 0.00 C ATOM 197 CG PHE A 547 4.184 -9.951 12.365 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.506 -9.107 13.230 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.942 -11.313 12.438 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.605 -9.611 14.149 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.042 -11.823 13.355 1.00 0.00 C ATOM 202 CZ PHE A 547 2.374 -10.971 14.212 1.00 0.00 C ATOM 0 H PHE A 547 3.038 -9.727 10.156 1.00 0.00 H new ATOM 0 HA PHE A 547 4.306 -7.453 11.062 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.538 -10.216 10.750 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.016 -8.983 11.900 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.684 -8.043 13.186 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.462 -11.984 11.771 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.082 -8.942 14.817 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.862 -12.887 13.401 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.672 -11.368 14.930 1.00 0.00 H new ATOM 212 N ASP A 548 5.993 -8.842 8.569 1.00 0.00 N ATOM 213 CA ASP A 548 6.970 -8.568 7.522 1.00 0.00 C ATOM 214 C ASP A 548 6.736 -7.191 6.908 1.00 0.00 C ATOM 215 O ASP A 548 7.662 -6.565 6.391 1.00 0.00 O ATOM 216 CB ASP A 548 6.902 -9.642 6.436 1.00 0.00 C ATOM 217 CG ASP A 548 8.071 -9.567 5.473 1.00 0.00 C ATOM 218 OD1 ASP A 548 9.133 -9.044 5.868 1.00 0.00 O ATOM 219 OD2 ASP A 548 7.922 -10.033 4.323 1.00 0.00 O ATOM 0 H ASP A 548 5.656 -9.804 8.589 1.00 0.00 H new ATOM 0 HA ASP A 548 7.962 -8.582 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.883 -10.626 6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 548 5.970 -9.535 5.881 1.00 0.00 H new ATOM 224 N PHE A 549 5.493 -6.726 6.967 1.00 0.00 N ATOM 225 CA PHE A 549 5.136 -5.424 6.415 1.00 0.00 C ATOM 226 C PHE A 549 5.883 -4.305 7.134 1.00 0.00 C ATOM 227 O PHE A 549 5.784 -4.159 8.353 1.00 0.00 O ATOM 228 CB PHE A 549 3.627 -5.197 6.523 1.00 0.00 C ATOM 229 CG PHE A 549 3.072 -4.329 5.430 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.731 -4.872 4.201 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.891 -2.970 5.631 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.221 -4.075 3.194 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.381 -2.168 4.628 1.00 0.00 C ATOM 234 CZ PHE A 549 2.044 -2.721 3.408 1.00 0.00 C ATOM 0 H PHE A 549 4.715 -7.231 7.392 1.00 0.00 H new ATOM 0 HA PHE A 549 5.424 -5.412 5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.120 -6.162 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.404 -4.740 7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.865 -5.930 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.152 -2.532 6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 549 1.961 -4.510 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.246 -1.110 4.798 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.643 -2.097 2.623 1.00 0.00 H new ATOM 244 N THR A 550 6.633 -3.516 6.371 1.00 0.00 N ATOM 245 CA THR A 550 7.399 -2.411 6.934 1.00 0.00 C ATOM 246 C THR A 550 6.966 -1.079 6.332 1.00 0.00 C ATOM 247 O THR A 550 6.484 -1.027 5.201 1.00 0.00 O ATOM 248 CB THR A 550 8.910 -2.600 6.704 1.00 0.00 C ATOM 249 OG1 THR A 550 9.163 -2.885 5.323 1.00 0.00 O ATOM 250 CG2 THR A 550 9.453 -3.728 7.568 1.00 0.00 C ATOM 0 H THR A 550 6.726 -3.622 5.361 1.00 0.00 H new ATOM 0 HA THR A 550 7.201 -2.403 8.006 1.00 0.00 H new ATOM 0 HB THR A 550 9.416 -1.676 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.097 -3.158 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.522 -3.842 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.285 -3.494 8.619 1.00 0.00 H new ATOM 0 HG23 THR A 550 8.942 -4.657 7.317 1.00 0.00 H new ATOM 258 N TRP A 551 7.143 -0.006 7.094 1.00 0.00 N ATOM 259 CA TRP A 551 6.772 1.327 6.633 1.00 0.00 C ATOM 260 C TRP A 551 7.166 1.529 5.174 1.00 0.00 C ATOM 261 O TRP A 551 6.373 2.015 4.368 1.00 0.00 O ATOM 262 CB TRP A 551 7.435 2.394 7.506 1.00 0.00 C ATOM 263 CG TRP A 551 8.928 2.423 7.376 1.00 0.00 C ATOM 264 CD1 TRP A 551 9.827 1.682 8.089 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.695 3.236 6.481 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.107 1.986 7.690 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.053 2.935 6.705 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.366 4.186 5.511 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.078 3.553 5.994 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.386 4.799 4.807 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.728 4.480 5.050 1.00 0.00 C ATOM 0 H TRP A 551 7.541 -0.033 8.033 1.00 0.00 H new ATOM 0 HA TRP A 551 5.689 1.423 6.713 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.035 3.372 7.239 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.171 2.216 8.549 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.570 0.963 8.853 1.00 0.00 H new ATOM 0 HE1 TRP A 551 11.959 1.571 8.067 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.334 4.437 5.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.113 3.309 6.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.144 5.537 4.056 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.501 4.975 4.482 1.00 0.00 H new ATOM 282 N LYS A 552 8.396 1.153 4.841 1.00 0.00 N ATOM 283 CA LYS A 552 8.895 1.291 3.478 1.00 0.00 C ATOM 284 C LYS A 552 7.853 0.826 2.466 1.00 0.00 C ATOM 285 O LYS A 552 7.582 1.511 1.481 1.00 0.00 O ATOM 286 CB LYS A 552 10.186 0.487 3.302 1.00 0.00 C ATOM 287 CG LYS A 552 11.441 1.268 3.652 1.00 0.00 C ATOM 288 CD LYS A 552 12.668 0.372 3.667 1.00 0.00 C ATOM 289 CE LYS A 552 12.863 -0.283 5.026 1.00 0.00 C ATOM 290 NZ LYS A 552 12.089 -1.550 5.146 1.00 0.00 N ATOM 0 H LYS A 552 9.066 0.750 5.496 1.00 0.00 H new ATOM 0 HA LYS A 552 9.103 2.346 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.137 -0.405 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.255 0.148 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.584 2.071 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.319 1.736 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.567 -0.398 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 552 13.551 0.959 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.922 -0.488 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 552 12.553 0.408 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 12.654 -2.255 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 11.205 -1.369 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 11.866 -1.912 4.197 1.00 0.00 H new ATOM 304 N MET A 553 7.270 -0.342 2.718 1.00 0.00 N ATOM 305 CA MET A 553 6.255 -0.896 1.830 1.00 0.00 C ATOM 306 C MET A 553 5.010 -0.014 1.810 1.00 0.00 C ATOM 307 O MET A 553 4.592 0.464 0.754 1.00 0.00 O ATOM 308 CB MET A 553 5.882 -2.314 2.268 1.00 0.00 C ATOM 309 CG MET A 553 7.079 -3.159 2.673 1.00 0.00 C ATOM 310 SD MET A 553 6.830 -4.916 2.351 1.00 0.00 S ATOM 311 CE MET A 553 5.041 -5.007 2.339 1.00 0.00 C ATOM 0 H MET A 553 7.483 -0.922 3.529 1.00 0.00 H new ATOM 0 HA MET A 553 6.670 -0.932 0.823 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.188 -2.256 3.107 1.00 0.00 H new ATOM 0 HB3 MET A 553 5.356 -2.811 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.961 -2.816 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.279 -3.013 3.734 1.00 0.00 H new ATOM 0 HE1 MET A 553 4.729 -6.045 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 553 4.641 -4.414 3.161 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.663 -4.618 1.394 1.00 0.00 H new ATOM 321 N LEU A 554 4.421 0.197 2.982 1.00 0.00 N ATOM 322 CA LEU A 554 3.223 1.021 3.099 1.00 0.00 C ATOM 323 C LEU A 554 3.292 2.218 2.155 1.00 0.00 C ATOM 324 O LEU A 554 2.310 2.558 1.494 1.00 0.00 O ATOM 325 CB LEU A 554 3.051 1.504 4.540 1.00 0.00 C ATOM 326 CG LEU A 554 1.739 2.224 4.854 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.561 1.272 4.714 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.780 2.821 6.253 1.00 0.00 C ATOM 0 H LEU A 554 4.754 -0.191 3.865 1.00 0.00 H new ATOM 0 HA LEU A 554 2.363 0.411 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.138 0.643 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.876 2.175 4.778 1.00 0.00 H new ATOM 0 HG LEU A 554 1.612 3.035 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.364 1.802 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.520 0.892 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.682 0.439 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.838 3.329 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.931 2.026 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.600 3.536 6.320 1.00 0.00 H new ATOM 340 N LYS A 555 4.458 2.852 2.094 1.00 0.00 N ATOM 341 CA LYS A 555 4.657 4.008 1.229 1.00 0.00 C ATOM 342 C LYS A 555 4.667 3.593 -0.239 1.00 0.00 C ATOM 343 O LYS A 555 3.761 3.938 -0.997 1.00 0.00 O ATOM 344 CB LYS A 555 5.969 4.713 1.580 1.00 0.00 C ATOM 345 CG LYS A 555 6.259 5.925 0.711 1.00 0.00 C ATOM 346 CD LYS A 555 7.753 6.142 0.538 1.00 0.00 C ATOM 347 CE LYS A 555 8.052 7.505 -0.066 1.00 0.00 C ATOM 348 NZ LYS A 555 9.492 7.652 -0.418 1.00 0.00 N ATOM 0 H LYS A 555 5.281 2.584 2.634 1.00 0.00 H new ATOM 0 HA LYS A 555 3.828 4.697 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.937 5.024 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.790 4.003 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.794 5.793 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.811 6.811 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.249 6.055 1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.163 5.361 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.443 7.648 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.769 8.285 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.655 8.594 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 10.072 7.541 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.756 6.923 -1.112 1.00 0.00 H new ATOM 362 N ASP A 556 5.697 2.852 -0.632 1.00 0.00 N ATOM 363 CA ASP A 556 5.823 2.388 -2.009 1.00 0.00 C ATOM 364 C ASP A 556 4.568 1.642 -2.449 1.00 0.00 C ATOM 365 O ASP A 556 3.878 2.059 -3.379 1.00 0.00 O ATOM 366 CB ASP A 556 7.047 1.483 -2.154 1.00 0.00 C ATOM 367 CG ASP A 556 8.332 2.269 -2.329 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.268 3.401 -2.850 1.00 0.00 O ATOM 369 OD2 ASP A 556 9.401 1.752 -1.944 1.00 0.00 O ATOM 0 H ASP A 556 6.457 2.560 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 556 5.948 3.261 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.131 0.847 -1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.908 0.824 -3.011 1.00 0.00 H new ATOM 374 N LYS A 557 4.277 0.535 -1.774 1.00 0.00 N ATOM 375 CA LYS A 557 3.105 -0.271 -2.093 1.00 0.00 C ATOM 376 C LYS A 557 1.931 0.613 -2.501 1.00 0.00 C ATOM 377 O LYS A 557 1.325 0.411 -3.553 1.00 0.00 O ATOM 378 CB LYS A 557 2.713 -1.137 -0.893 1.00 0.00 C ATOM 379 CG LYS A 557 1.305 -1.700 -0.984 1.00 0.00 C ATOM 380 CD LYS A 557 1.140 -2.595 -2.200 1.00 0.00 C ATOM 381 CE LYS A 557 1.492 -4.040 -1.880 1.00 0.00 C ATOM 382 NZ LYS A 557 2.019 -4.760 -3.073 1.00 0.00 N ATOM 0 H LYS A 557 4.838 0.175 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 557 3.358 -0.918 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.420 -1.962 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.800 -0.543 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.080 -2.267 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.587 -0.881 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.111 -2.540 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.777 -2.234 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.235 -4.065 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.607 -4.555 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.247 -5.741 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.300 -4.759 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.878 -4.284 -3.415 1.00 0.00 H new ATOM 396 N PHE A 558 1.617 1.594 -1.662 1.00 0.00 N ATOM 397 CA PHE A 558 0.515 2.511 -1.935 1.00 0.00 C ATOM 398 C PHE A 558 0.909 3.533 -2.997 1.00 0.00 C ATOM 399 O PHE A 558 0.061 4.043 -3.728 1.00 0.00 O ATOM 400 CB PHE A 558 0.091 3.228 -0.652 1.00 0.00 C ATOM 401 CG PHE A 558 -0.746 2.379 0.261 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.342 1.097 0.599 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.935 2.862 0.783 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.111 0.313 1.439 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.707 2.083 1.623 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.294 0.807 1.953 1.00 0.00 C ATOM 0 H PHE A 558 2.109 1.775 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.326 1.928 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 558 0.982 3.554 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.469 4.126 -0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.583 0.706 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.262 3.860 0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.787 -0.685 1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.633 2.471 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.895 0.197 2.611 1.00 0.00 H new ATOM 416 N ASN A 559 2.203 3.828 -3.074 1.00 0.00 N ATOM 417 CA ASN A 559 2.710 4.791 -4.046 1.00 0.00 C ATOM 418 C ASN A 559 2.127 4.526 -5.430 1.00 0.00 C ATOM 419 O ASN A 559 2.008 5.437 -6.249 1.00 0.00 O ATOM 420 CB ASN A 559 4.238 4.730 -4.104 1.00 0.00 C ATOM 421 CG ASN A 559 4.835 5.906 -4.854 1.00 0.00 C ATOM 422 OD1 ASN A 559 5.441 5.738 -5.912 1.00 0.00 O ATOM 423 ND2 ASN A 559 4.666 7.104 -4.307 1.00 0.00 N ATOM 0 H ASN A 559 2.919 3.415 -2.476 1.00 0.00 H new ATOM 0 HA ASN A 559 2.404 5.787 -3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.637 4.709 -3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.544 3.802 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 559 5.046 7.932 -4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 559 4.156 7.196 -3.428 1.00 0.00 H new ATOM 430 N GLU A 560 1.763 3.273 -5.683 1.00 0.00 N ATOM 431 CA GLU A 560 1.192 2.888 -6.969 1.00 0.00 C ATOM 432 C GLU A 560 -0.137 3.600 -7.208 1.00 0.00 C ATOM 433 O GLU A 560 -0.401 4.093 -8.305 1.00 0.00 O ATOM 434 CB GLU A 560 0.990 1.373 -7.030 1.00 0.00 C ATOM 435 CG GLU A 560 2.279 0.595 -7.230 1.00 0.00 C ATOM 436 CD GLU A 560 2.047 -0.899 -7.347 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.083 -1.401 -6.731 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.829 -1.567 -8.057 1.00 0.00 O ATOM 0 H GLU A 560 1.853 2.507 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 560 1.890 3.185 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.515 1.041 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.304 1.139 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.779 0.953 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.950 0.790 -6.394 1.00 0.00 H new ATOM 445 N CYS A 561 -0.970 3.648 -6.174 1.00 0.00 N ATOM 446 CA CYS A 561 -2.272 4.297 -6.271 1.00 0.00 C ATOM 447 C CYS A 561 -2.118 5.777 -6.606 1.00 0.00 C ATOM 448 O CYS A 561 -2.798 6.298 -7.489 1.00 0.00 O ATOM 449 CB CYS A 561 -3.044 4.137 -4.960 1.00 0.00 C ATOM 450 SG CYS A 561 -3.423 2.421 -4.532 1.00 0.00 S ATOM 0 H CYS A 561 -0.767 3.245 -5.259 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.831 3.817 -7.074 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.463 4.582 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -3.976 4.698 -5.029 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.004 2.172 -3.327 1.00 0.00 H new ATOM 456 N GLY A 562 -1.220 6.450 -5.894 1.00 0.00 N ATOM 457 CA GLY A 562 -0.994 7.864 -6.129 1.00 0.00 C ATOM 458 C GLY A 562 0.306 8.353 -5.523 1.00 0.00 C ATOM 459 O GLY A 562 1.357 7.741 -5.714 1.00 0.00 O ATOM 0 H GLY A 562 -0.644 6.041 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.985 8.054 -7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.823 8.435 -5.712 1.00 0.00 H new ATOM 463 N HIS A 563 0.237 9.460 -4.791 1.00 0.00 N ATOM 464 CA HIS A 563 1.418 10.032 -4.155 1.00 0.00 C ATOM 465 C HIS A 563 1.317 9.937 -2.635 1.00 0.00 C ATOM 466 O HIS A 563 0.426 10.526 -2.024 1.00 0.00 O ATOM 467 CB HIS A 563 1.594 11.491 -4.575 1.00 0.00 C ATOM 468 CG HIS A 563 2.840 12.124 -4.035 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.077 12.746 -2.856 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.028 12.165 -4.734 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.390 13.145 -2.864 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 4.942 12.783 -4.007 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.625 9.979 -4.623 1.00 0.00 H new ATOM 0 HA HIS A 563 2.287 9.461 -4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.610 11.548 -5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 563 0.730 12.064 -4.239 1.00 0.00 H new ATOM 0 HD2 HIS A 563 4.186 11.756 -5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 563 4.891 13.670 -2.064 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.910 12.952 -4.282 1.00 0.00 H new ATOM 481 N VAL A 564 2.236 9.190 -2.031 1.00 0.00 N ATOM 482 CA VAL A 564 2.251 9.017 -0.584 1.00 0.00 C ATOM 483 C VAL A 564 3.123 10.073 0.087 1.00 0.00 C ATOM 484 O VAL A 564 4.306 10.209 -0.229 1.00 0.00 O ATOM 485 CB VAL A 564 2.763 7.619 -0.190 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.922 7.514 1.319 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.823 6.542 -0.711 1.00 0.00 C ATOM 0 H VAL A 564 2.980 8.695 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 564 1.222 9.128 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 564 3.742 7.468 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.285 6.519 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.637 8.262 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.959 7.686 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.200 5.560 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.830 6.689 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.765 6.605 -1.798 1.00 0.00 H new ATOM 497 N LEU A 565 2.532 10.819 1.013 1.00 0.00 N ATOM 498 CA LEU A 565 3.255 11.864 1.730 1.00 0.00 C ATOM 499 C LEU A 565 3.755 11.354 3.078 1.00 0.00 C ATOM 500 O LEU A 565 4.905 11.584 3.453 1.00 0.00 O ATOM 501 CB LEU A 565 2.356 13.085 1.936 1.00 0.00 C ATOM 502 CG LEU A 565 1.862 13.776 0.664 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.891 14.894 1.008 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.036 14.315 -0.140 1.00 0.00 C ATOM 0 H LEU A 565 1.554 10.720 1.285 1.00 0.00 H new ATOM 0 HA LEU A 565 4.117 12.152 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.488 12.778 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.900 13.815 2.535 1.00 0.00 H new ATOM 0 HG LEU A 565 1.337 13.041 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.550 15.375 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 565 0.035 14.481 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.391 15.629 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.666 14.803 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.589 15.036 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.695 13.492 -0.417 1.00 0.00 H new ATOM 516 N TYR A 566 2.884 10.658 3.801 1.00 0.00 N ATOM 517 CA TYR A 566 3.237 10.115 5.108 1.00 0.00 C ATOM 518 C TYR A 566 2.910 8.627 5.185 1.00 0.00 C ATOM 519 O TYR A 566 1.855 8.187 4.729 1.00 0.00 O ATOM 520 CB TYR A 566 2.497 10.870 6.213 1.00 0.00 C ATOM 521 CG TYR A 566 2.738 10.307 7.596 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.004 10.330 8.167 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.698 9.752 8.332 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.228 9.816 9.429 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.912 9.237 9.596 1.00 0.00 C ATOM 526 CZ TYR A 566 3.179 9.271 10.140 1.00 0.00 C ATOM 527 OH TYR A 566 3.398 8.759 11.398 1.00 0.00 O ATOM 0 H TYR A 566 1.929 10.457 3.504 1.00 0.00 H new ATOM 0 HA TYR A 566 4.311 10.240 5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.805 11.915 6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.428 10.849 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.828 10.757 7.614 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.705 9.723 7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.219 9.841 9.857 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.092 8.810 10.155 1.00 0.00 H new ATOM 0 HH TYR A 566 2.556 8.415 11.762 1.00 0.00 H new ATOM 537 N ALA A 567 3.824 7.857 5.767 1.00 0.00 N ATOM 538 CA ALA A 567 3.633 6.419 5.908 1.00 0.00 C ATOM 539 C ALA A 567 4.391 5.880 7.116 1.00 0.00 C ATOM 540 O ALA A 567 5.622 5.859 7.130 1.00 0.00 O ATOM 541 CB ALA A 567 4.076 5.701 4.642 1.00 0.00 C ATOM 0 H ALA A 567 4.704 8.205 6.148 1.00 0.00 H new ATOM 0 HA ALA A 567 2.571 6.233 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.928 4.628 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.487 6.057 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.131 5.903 4.459 1.00 0.00 H new ATOM 547 N ASP A 568 3.649 5.446 8.129 1.00 0.00 N ATOM 548 CA ASP A 568 4.252 4.907 9.342 1.00 0.00 C ATOM 549 C ASP A 568 3.407 3.770 9.910 1.00 0.00 C ATOM 550 O ASP A 568 2.177 3.824 9.881 1.00 0.00 O ATOM 551 CB ASP A 568 4.415 6.009 10.390 1.00 0.00 C ATOM 552 CG ASP A 568 5.508 5.697 11.393 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.571 5.195 10.975 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.299 5.954 12.598 1.00 0.00 O ATOM 0 H ASP A 568 2.629 5.457 8.134 1.00 0.00 H new ATOM 0 HA ASP A 568 5.235 4.513 9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.642 6.951 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.471 6.148 10.917 1.00 0.00 H new ATOM 559 N ILE A 569 4.075 2.743 10.423 1.00 0.00 N ATOM 560 CA ILE A 569 3.386 1.594 10.997 1.00 0.00 C ATOM 561 C ILE A 569 3.144 1.787 12.490 1.00 0.00 C ATOM 562 O ILE A 569 4.035 1.563 13.309 1.00 0.00 O ATOM 563 CB ILE A 569 4.183 0.294 10.781 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.429 0.062 9.289 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.444 -0.888 11.392 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.196 -0.383 8.535 1.00 0.00 C ATOM 0 H ILE A 569 5.093 2.683 10.453 1.00 0.00 H new ATOM 0 HA ILE A 569 2.428 1.512 10.484 1.00 0.00 H new ATOM 0 HB ILE A 569 5.148 0.390 11.278 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.805 0.983 8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.209 -0.690 9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.020 -1.800 11.231 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.316 -0.724 12.462 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.466 -0.989 10.921 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.445 -0.528 7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.832 -1.321 8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.421 0.379 8.623 1.00 0.00 H new ATOM 578 N LYS A 570 1.931 2.202 12.838 1.00 0.00 N ATOM 579 CA LYS A 570 1.568 2.423 14.233 1.00 0.00 C ATOM 580 C LYS A 570 1.942 1.218 15.090 1.00 0.00 C ATOM 581 O LYS A 570 1.658 0.076 14.729 1.00 0.00 O ATOM 582 CB LYS A 570 0.068 2.702 14.353 1.00 0.00 C ATOM 583 CG LYS A 570 -0.361 4.009 13.708 1.00 0.00 C ATOM 584 CD LYS A 570 0.036 5.206 14.556 1.00 0.00 C ATOM 585 CE LYS A 570 -0.825 6.420 14.243 1.00 0.00 C ATOM 586 NZ LYS A 570 -2.208 6.272 14.774 1.00 0.00 N ATOM 0 H LYS A 570 1.182 2.392 12.173 1.00 0.00 H new ATOM 0 HA LYS A 570 2.122 3.289 14.594 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.484 1.882 13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.207 2.720 15.408 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.093 4.095 12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.441 4.007 13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.060 4.953 15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 570 1.084 5.447 14.380 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.365 7.311 14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.864 6.569 13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -2.676 7.200 14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -2.745 5.621 14.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -2.170 5.891 15.741 1.00 0.00 H new ATOM 600 N MET A 571 2.579 1.481 16.226 1.00 0.00 N ATOM 601 CA MET A 571 2.989 0.416 17.135 1.00 0.00 C ATOM 602 C MET A 571 2.379 0.618 18.519 1.00 0.00 C ATOM 603 O MET A 571 1.912 1.708 18.847 1.00 0.00 O ATOM 604 CB MET A 571 4.515 0.366 17.240 1.00 0.00 C ATOM 605 CG MET A 571 5.213 0.250 15.895 1.00 0.00 C ATOM 606 SD MET A 571 6.991 -0.004 16.054 1.00 0.00 S ATOM 607 CE MET A 571 7.043 -1.723 16.554 1.00 0.00 C ATOM 0 H MET A 571 2.822 2.421 16.539 1.00 0.00 H new ATOM 0 HA MET A 571 2.628 -0.531 16.733 1.00 0.00 H new ATOM 0 HB2 MET A 571 4.866 1.266 17.746 1.00 0.00 H new ATOM 0 HB3 MET A 571 4.801 -0.482 17.863 1.00 0.00 H new ATOM 0 HG2 MET A 571 4.780 -0.580 15.336 1.00 0.00 H new ATOM 0 HG3 MET A 571 5.030 1.155 15.316 1.00 0.00 H new ATOM 0 HE1 MET A 571 8.080 -2.035 16.676 1.00 0.00 H new ATOM 0 HE2 MET A 571 6.515 -1.843 17.500 1.00 0.00 H new ATOM 0 HE3 MET A 571 6.566 -2.338 15.791 1.00 0.00 H new ATOM 617 N GLU A 572 2.388 -0.439 19.325 1.00 0.00 N ATOM 618 CA GLU A 572 1.834 -0.376 20.672 1.00 0.00 C ATOM 619 C GLU A 572 2.815 -0.949 21.691 1.00 0.00 C ATOM 620 O GLU A 572 2.986 -2.163 21.789 1.00 0.00 O ATOM 621 CB GLU A 572 0.509 -1.139 20.739 1.00 0.00 C ATOM 622 CG GLU A 572 -0.031 -1.298 22.150 1.00 0.00 C ATOM 623 CD GLU A 572 -1.488 -1.715 22.173 1.00 0.00 C ATOM 624 OE1 GLU A 572 -2.220 -1.372 21.221 1.00 0.00 O ATOM 625 OE2 GLU A 572 -1.897 -2.386 23.144 1.00 0.00 O ATOM 0 H GLU A 572 2.773 -1.348 19.069 1.00 0.00 H new ATOM 0 HA GLU A 572 1.655 0.671 20.915 1.00 0.00 H new ATOM 0 HB2 GLU A 572 -0.232 -0.618 20.132 1.00 0.00 H new ATOM 0 HB3 GLU A 572 0.645 -2.126 20.298 1.00 0.00 H new ATOM 0 HG2 GLU A 572 0.564 -2.041 22.681 1.00 0.00 H new ATOM 0 HG3 GLU A 572 0.082 -0.356 22.687 1.00 0.00 H new ATOM 632 N ASN A 573 3.458 -0.064 22.447 1.00 0.00 N ATOM 633 CA ASN A 573 4.423 -0.481 23.458 1.00 0.00 C ATOM 634 C ASN A 573 5.624 -1.165 22.813 1.00 0.00 C ATOM 635 O ASN A 573 6.237 -2.053 23.404 1.00 0.00 O ATOM 636 CB ASN A 573 3.763 -1.425 24.464 1.00 0.00 C ATOM 637 CG ASN A 573 2.584 -0.785 25.171 1.00 0.00 C ATOM 638 OD1 ASN A 573 2.670 0.349 25.643 1.00 0.00 O ATOM 639 ND2 ASN A 573 1.475 -1.511 25.247 1.00 0.00 N ATOM 0 H ASN A 573 3.328 0.945 22.378 1.00 0.00 H new ATOM 0 HA ASN A 573 4.772 0.409 23.981 1.00 0.00 H new ATOM 0 HB2 ASN A 573 3.429 -2.325 23.948 1.00 0.00 H new ATOM 0 HB3 ASN A 573 4.501 -1.737 25.203 1.00 0.00 H new ATOM 0 HD21 ASN A 573 0.649 -1.133 25.711 1.00 0.00 H new ATOM 0 HD22 ASN A 573 1.449 -2.447 24.841 1.00 0.00 H new ATOM 646 N GLY A 574 5.956 -0.744 21.596 1.00 0.00 N ATOM 647 CA GLY A 574 7.083 -1.327 20.892 1.00 0.00 C ATOM 648 C GLY A 574 6.718 -2.613 20.177 1.00 0.00 C ATOM 649 O GLY A 574 7.565 -3.485 19.979 1.00 0.00 O ATOM 0 H GLY A 574 5.465 -0.010 21.086 1.00 0.00 H new ATOM 0 HA2 GLY A 574 7.466 -0.608 20.168 1.00 0.00 H new ATOM 0 HA3 GLY A 574 7.887 -1.525 21.601 1.00 0.00 H new ATOM 653 N LYS A 575 5.453 -2.733 19.788 1.00 0.00 N ATOM 654 CA LYS A 575 4.976 -3.922 19.091 1.00 0.00 C ATOM 655 C LYS A 575 4.121 -3.540 17.887 1.00 0.00 C ATOM 656 O LYS A 575 3.194 -2.738 18.001 1.00 0.00 O ATOM 657 CB LYS A 575 4.169 -4.807 20.043 1.00 0.00 C ATOM 658 CG LYS A 575 5.030 -5.673 20.946 1.00 0.00 C ATOM 659 CD LYS A 575 4.228 -6.808 21.560 1.00 0.00 C ATOM 660 CE LYS A 575 3.014 -6.288 22.315 1.00 0.00 C ATOM 661 NZ LYS A 575 2.453 -7.315 23.236 1.00 0.00 N ATOM 0 H LYS A 575 4.739 -2.021 19.944 1.00 0.00 H new ATOM 0 HA LYS A 575 5.844 -4.478 18.736 1.00 0.00 H new ATOM 0 HB2 LYS A 575 3.531 -4.175 20.661 1.00 0.00 H new ATOM 0 HB3 LYS A 575 3.510 -5.449 19.458 1.00 0.00 H new ATOM 0 HG2 LYS A 575 5.862 -6.083 20.373 1.00 0.00 H new ATOM 0 HG3 LYS A 575 5.460 -5.060 21.738 1.00 0.00 H new ATOM 0 HD2 LYS A 575 3.904 -7.492 20.776 1.00 0.00 H new ATOM 0 HD3 LYS A 575 4.863 -7.378 22.238 1.00 0.00 H new ATOM 0 HE2 LYS A 575 3.293 -5.402 22.885 1.00 0.00 H new ATOM 0 HE3 LYS A 575 2.248 -5.981 21.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 1.627 -6.923 23.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 2.163 -8.151 22.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 3.176 -7.590 23.931 1.00 0.00 H new ATOM 675 N SER A 576 4.438 -4.121 16.734 1.00 0.00 N ATOM 676 CA SER A 576 3.700 -3.839 15.508 1.00 0.00 C ATOM 677 C SER A 576 2.339 -4.528 15.524 1.00 0.00 C ATOM 678 O SER A 576 2.251 -5.756 15.536 1.00 0.00 O ATOM 679 CB SER A 576 4.502 -4.297 14.288 1.00 0.00 C ATOM 680 OG SER A 576 4.885 -5.656 14.410 1.00 0.00 O ATOM 0 H SER A 576 5.200 -4.789 16.623 1.00 0.00 H new ATOM 0 HA SER A 576 3.543 -2.762 15.447 1.00 0.00 H new ATOM 0 HB2 SER A 576 3.905 -4.164 13.386 1.00 0.00 H new ATOM 0 HB3 SER A 576 5.390 -3.674 14.178 1.00 0.00 H new ATOM 0 HG SER A 576 4.151 -6.168 14.809 1.00 0.00 H new ATOM 686 N LYS A 577 1.278 -3.728 15.522 1.00 0.00 N ATOM 687 CA LYS A 577 -0.081 -4.258 15.535 1.00 0.00 C ATOM 688 C LYS A 577 -0.650 -4.329 14.121 1.00 0.00 C ATOM 689 O LYS A 577 -1.857 -4.200 13.921 1.00 0.00 O ATOM 690 CB LYS A 577 -0.981 -3.389 16.415 1.00 0.00 C ATOM 691 CG LYS A 577 -0.362 -3.036 17.757 1.00 0.00 C ATOM 692 CD LYS A 577 -0.373 -4.223 18.705 1.00 0.00 C ATOM 693 CE LYS A 577 0.874 -5.079 18.541 1.00 0.00 C ATOM 694 NZ LYS A 577 0.627 -6.498 18.919 1.00 0.00 N ATOM 0 H LYS A 577 1.333 -2.710 15.511 1.00 0.00 H new ATOM 0 HA LYS A 577 -0.047 -5.267 15.946 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.219 -2.469 15.881 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.923 -3.911 16.585 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.663 -2.698 17.608 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.910 -2.207 18.205 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.439 -3.868 19.733 1.00 0.00 H new ATOM 0 HD3 LYS A 577 -1.259 -4.830 18.520 1.00 0.00 H new ATOM 0 HE2 LYS A 577 1.213 -5.033 17.506 1.00 0.00 H new ATOM 0 HE3 LYS A 577 1.676 -4.673 19.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 1.501 -7.048 18.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 0.328 -6.545 19.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -0.121 -6.893 18.314 1.00 0.00 H new ATOM 708 N GLY A 578 0.228 -4.537 13.144 1.00 0.00 N ATOM 709 CA GLY A 578 -0.207 -4.623 11.763 1.00 0.00 C ATOM 710 C GLY A 578 -1.193 -3.532 11.396 1.00 0.00 C ATOM 711 O GLY A 578 -2.209 -3.795 10.752 1.00 0.00 O ATOM 0 H GLY A 578 1.232 -4.647 13.285 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.661 -4.559 11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.666 -5.596 11.590 1.00 0.00 H new ATOM 715 N CYS A 579 -0.894 -2.304 11.807 1.00 0.00 N ATOM 716 CA CYS A 579 -1.764 -1.169 11.521 1.00 0.00 C ATOM 717 C CYS A 579 -0.944 0.085 11.235 1.00 0.00 C ATOM 718 O CYS A 579 0.125 0.284 11.809 1.00 0.00 O ATOM 719 CB CYS A 579 -2.712 -0.917 12.694 1.00 0.00 C ATOM 720 SG CYS A 579 -1.886 -0.374 14.207 1.00 0.00 S ATOM 0 H CYS A 579 -0.056 -2.069 12.339 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.352 -1.407 10.634 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.443 -0.163 12.401 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.265 -1.833 12.903 1.00 0.00 H new ATOM 0 HG CYS A 579 -2.771 -0.185 15.141 1.00 0.00 H new ATOM 726 N GLY A 580 -1.454 0.928 10.341 1.00 0.00 N ATOM 727 CA GLY A 580 -0.755 2.151 9.993 1.00 0.00 C ATOM 728 C GLY A 580 -1.652 3.152 9.292 1.00 0.00 C ATOM 729 O GLY A 580 -2.871 2.983 9.252 1.00 0.00 O ATOM 0 H GLY A 580 -2.338 0.785 9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.348 2.603 10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.091 1.912 9.348 1.00 0.00 H new ATOM 733 N VAL A 581 -1.049 4.200 8.740 1.00 0.00 N ATOM 734 CA VAL A 581 -1.802 5.233 8.038 1.00 0.00 C ATOM 735 C VAL A 581 -1.046 5.722 6.807 1.00 0.00 C ATOM 736 O VAL A 581 0.181 5.647 6.748 1.00 0.00 O ATOM 737 CB VAL A 581 -2.098 6.434 8.956 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.262 6.122 9.884 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.858 6.813 9.752 1.00 0.00 C ATOM 0 H VAL A 581 -0.041 4.356 8.765 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.745 4.782 7.727 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.378 7.285 8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.457 6.982 10.525 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.150 5.902 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.014 5.258 10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.084 7.663 10.395 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.546 5.967 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.054 7.081 9.067 1.00 0.00 H new ATOM 749 N VAL A 582 -1.788 6.226 5.826 1.00 0.00 N ATOM 750 CA VAL A 582 -1.189 6.730 4.596 1.00 0.00 C ATOM 751 C VAL A 582 -1.898 7.992 4.117 1.00 0.00 C ATOM 752 O VAL A 582 -3.122 8.021 3.993 1.00 0.00 O ATOM 753 CB VAL A 582 -1.233 5.673 3.476 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.763 6.271 2.159 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.391 4.463 3.853 1.00 0.00 C ATOM 0 H VAL A 582 -2.805 6.296 5.859 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.149 6.965 4.823 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.265 5.344 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.801 5.510 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.412 7.103 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.261 6.629 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.433 3.726 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.643 4.773 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.778 4.022 4.771 1.00 0.00 H new ATOM 765 N LYS A 583 -1.119 9.034 3.847 1.00 0.00 N ATOM 766 CA LYS A 583 -1.670 10.301 3.379 1.00 0.00 C ATOM 767 C LYS A 583 -1.369 10.511 1.899 1.00 0.00 C ATOM 768 O LYS A 583 -0.433 9.924 1.356 1.00 0.00 O ATOM 769 CB LYS A 583 -1.099 11.462 4.197 1.00 0.00 C ATOM 770 CG LYS A 583 -1.943 11.826 5.406 1.00 0.00 C ATOM 771 CD LYS A 583 -1.526 11.036 6.635 1.00 0.00 C ATOM 772 CE LYS A 583 -2.124 11.622 7.905 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.344 12.791 8.397 1.00 0.00 N ATOM 0 H LYS A 583 -0.104 9.026 3.944 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.752 10.269 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.095 11.201 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.004 12.337 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.849 12.893 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.994 11.634 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -1.844 9.999 6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.439 11.030 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -3.153 11.926 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -2.156 10.855 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -1.783 13.162 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -0.368 12.496 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.335 13.533 7.669 1.00 0.00 H new ATOM 787 N PHE A 584 -2.167 11.353 1.251 1.00 0.00 N ATOM 788 CA PHE A 584 -1.986 11.641 -0.167 1.00 0.00 C ATOM 789 C PHE A 584 -2.040 13.144 -0.428 1.00 0.00 C ATOM 790 O PHE A 584 -2.360 13.927 0.465 1.00 0.00 O ATOM 791 CB PHE A 584 -3.057 10.929 -0.995 1.00 0.00 C ATOM 792 CG PHE A 584 -3.007 9.432 -0.880 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.684 8.779 0.137 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.282 8.679 -1.790 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.639 7.402 0.245 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.233 7.301 -1.687 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.913 6.662 -0.669 1.00 0.00 C ATOM 0 H PHE A 584 -2.946 11.848 1.686 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.004 11.274 -0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.040 11.277 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.941 11.209 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.253 9.352 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.749 9.174 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.171 6.905 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.664 6.725 -2.402 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.878 5.586 -0.587 1.00 0.00 H new ATOM 807 N GLU A 585 -1.725 13.537 -1.658 1.00 0.00 N ATOM 808 CA GLU A 585 -1.737 14.945 -2.036 1.00 0.00 C ATOM 809 C GLU A 585 -3.167 15.465 -2.150 1.00 0.00 C ATOM 810 O GLU A 585 -3.489 16.541 -1.646 1.00 0.00 O ATOM 811 CB GLU A 585 -1.002 15.146 -3.363 1.00 0.00 C ATOM 812 CG GLU A 585 0.494 15.361 -3.203 1.00 0.00 C ATOM 813 CD GLU A 585 1.205 15.519 -4.533 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.569 16.004 -5.492 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.398 15.156 -4.615 1.00 0.00 O ATOM 0 H GLU A 585 -1.459 12.901 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.225 15.509 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.170 14.276 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.431 16.004 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.667 16.249 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.923 14.517 -2.664 1.00 0.00 H new ATOM 822 N SER A 586 -4.020 14.694 -2.817 1.00 0.00 N ATOM 823 CA SER A 586 -5.414 15.078 -3.002 1.00 0.00 C ATOM 824 C SER A 586 -6.340 14.165 -2.204 1.00 0.00 C ATOM 825 O SER A 586 -5.998 13.030 -1.871 1.00 0.00 O ATOM 826 CB SER A 586 -5.786 15.031 -4.485 1.00 0.00 C ATOM 827 OG SER A 586 -5.525 16.273 -5.116 1.00 0.00 O ATOM 0 H SER A 586 -3.770 13.799 -3.238 1.00 0.00 H new ATOM 0 HA SER A 586 -5.535 16.098 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.220 14.242 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.842 14.781 -4.591 1.00 0.00 H new ATOM 0 HG SER A 586 -5.770 16.216 -6.063 1.00 0.00 H new ATOM 833 N PRO A 587 -7.542 14.670 -1.891 1.00 0.00 N ATOM 834 CA PRO A 587 -8.543 13.917 -1.129 1.00 0.00 C ATOM 835 C PRO A 587 -9.130 12.759 -1.930 1.00 0.00 C ATOM 836 O PRO A 587 -9.455 11.711 -1.373 1.00 0.00 O ATOM 837 CB PRO A 587 -9.622 14.961 -0.831 1.00 0.00 C ATOM 838 CG PRO A 587 -9.482 15.971 -1.918 1.00 0.00 C ATOM 839 CD PRO A 587 -8.017 16.015 -2.256 1.00 0.00 C ATOM 0 HA PRO A 587 -8.116 13.459 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.616 14.514 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.476 15.413 0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.075 15.692 -2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.837 16.948 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.855 16.225 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.498 16.791 -1.693 1.00 0.00 H new ATOM 847 N GLU A 588 -9.261 12.956 -3.238 1.00 0.00 N ATOM 848 CA GLU A 588 -9.809 11.927 -4.113 1.00 0.00 C ATOM 849 C GLU A 588 -8.929 10.680 -4.104 1.00 0.00 C ATOM 850 O GLU A 588 -9.428 9.554 -4.110 1.00 0.00 O ATOM 851 CB GLU A 588 -9.942 12.459 -5.542 1.00 0.00 C ATOM 852 CG GLU A 588 -8.630 12.940 -6.137 1.00 0.00 C ATOM 853 CD GLU A 588 -8.784 13.442 -7.560 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.259 12.664 -8.414 1.00 0.00 O ATOM 855 OE2 GLU A 588 -8.430 14.611 -7.819 1.00 0.00 O ATOM 0 H GLU A 588 -8.995 13.818 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.797 11.657 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.352 11.673 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.658 13.281 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.225 13.739 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.907 12.125 -6.120 1.00 0.00 H new ATOM 862 N VAL A 589 -7.616 10.889 -4.090 1.00 0.00 N ATOM 863 CA VAL A 589 -6.666 9.783 -4.079 1.00 0.00 C ATOM 864 C VAL A 589 -6.700 9.042 -2.747 1.00 0.00 C ATOM 865 O VAL A 589 -6.446 7.839 -2.687 1.00 0.00 O ATOM 866 CB VAL A 589 -5.231 10.273 -4.345 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.238 9.132 -4.187 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.128 10.892 -5.731 1.00 0.00 C ATOM 0 H VAL A 589 -7.186 11.814 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.963 9.103 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.986 11.040 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.229 9.498 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.294 8.739 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.478 8.340 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.107 11.233 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.393 10.148 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.810 11.739 -5.803 1.00 0.00 H new ATOM 878 N ALA A 590 -7.017 9.768 -1.680 1.00 0.00 N ATOM 879 CA ALA A 590 -7.086 9.180 -0.349 1.00 0.00 C ATOM 880 C ALA A 590 -8.131 8.070 -0.293 1.00 0.00 C ATOM 881 O ALA A 590 -7.855 6.970 0.183 1.00 0.00 O ATOM 882 CB ALA A 590 -7.396 10.251 0.686 1.00 0.00 C ATOM 0 H ALA A 590 -7.230 10.765 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.114 8.741 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.445 9.797 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.612 11.008 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.354 10.716 0.453 1.00 0.00 H new ATOM 888 N GLU A 591 -9.331 8.369 -0.781 1.00 0.00 N ATOM 889 CA GLU A 591 -10.417 7.395 -0.784 1.00 0.00 C ATOM 890 C GLU A 591 -10.236 6.383 -1.911 1.00 0.00 C ATOM 891 O GLU A 591 -10.731 5.258 -1.835 1.00 0.00 O ATOM 892 CB GLU A 591 -11.766 8.103 -0.931 1.00 0.00 C ATOM 893 CG GLU A 591 -12.206 8.281 -2.375 1.00 0.00 C ATOM 894 CD GLU A 591 -13.134 9.466 -2.560 1.00 0.00 C ATOM 895 OE1 GLU A 591 -13.168 10.337 -1.666 1.00 0.00 O ATOM 896 OE2 GLU A 591 -13.825 9.522 -3.598 1.00 0.00 O ATOM 0 H GLU A 591 -9.576 9.276 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.396 6.862 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.526 7.533 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.707 9.082 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.326 8.411 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.709 7.374 -2.712 1.00 0.00 H new ATOM 903 N ARG A 592 -9.525 6.791 -2.957 1.00 0.00 N ATOM 904 CA ARG A 592 -9.280 5.921 -4.101 1.00 0.00 C ATOM 905 C ARG A 592 -8.516 4.669 -3.678 1.00 0.00 C ATOM 906 O ARG A 592 -8.856 3.557 -4.081 1.00 0.00 O ATOM 907 CB ARG A 592 -8.496 6.670 -5.180 1.00 0.00 C ATOM 908 CG ARG A 592 -8.060 5.788 -6.338 1.00 0.00 C ATOM 909 CD ARG A 592 -7.205 6.557 -7.333 1.00 0.00 C ATOM 910 NE ARG A 592 -7.291 5.996 -8.679 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.682 6.522 -9.735 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.945 7.617 -9.603 1.00 0.00 N ATOM 913 NH2 ARG A 592 -6.809 5.954 -10.927 1.00 0.00 N ATOM 0 H ARG A 592 -9.108 7.719 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.245 5.617 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.111 7.483 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.614 7.124 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.498 4.936 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.939 5.389 -6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -7.523 7.599 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.167 6.547 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 592 -7.850 5.154 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.845 8.057 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -5.478 8.019 -10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -7.375 5.112 -11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -6.341 6.359 -11.737 1.00 0.00 H new ATOM 927 N ALA A 593 -7.483 4.859 -2.865 1.00 0.00 N ATOM 928 CA ALA A 593 -6.672 3.746 -2.386 1.00 0.00 C ATOM 929 C ALA A 593 -7.488 2.816 -1.494 1.00 0.00 C ATOM 930 O ALA A 593 -7.205 1.621 -1.405 1.00 0.00 O ATOM 931 CB ALA A 593 -5.453 4.264 -1.638 1.00 0.00 C ATOM 0 H ALA A 593 -7.187 5.774 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.337 3.174 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.857 3.422 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.851 4.881 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.776 4.861 -0.785 1.00 0.00 H new ATOM 937 N CYS A 594 -8.499 3.372 -0.836 1.00 0.00 N ATOM 938 CA CYS A 594 -9.355 2.592 0.051 1.00 0.00 C ATOM 939 C CYS A 594 -10.217 1.618 -0.745 1.00 0.00 C ATOM 940 O CYS A 594 -10.703 0.622 -0.207 1.00 0.00 O ATOM 941 CB CYS A 594 -10.244 3.520 0.880 1.00 0.00 C ATOM 942 SG CYS A 594 -9.343 4.533 2.076 1.00 0.00 S ATOM 0 H CYS A 594 -8.746 4.360 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.716 2.018 0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.794 4.176 0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.982 2.919 1.412 1.00 0.00 H new ATOM 0 HG CYS A 594 -9.197 5.735 1.604 1.00 0.00 H new ATOM 948 N ARG A 595 -10.404 1.911 -2.027 1.00 0.00 N ATOM 949 CA ARG A 595 -11.210 1.062 -2.896 1.00 0.00 C ATOM 950 C ARG A 595 -10.338 0.043 -3.622 1.00 0.00 C ATOM 951 O ARG A 595 -10.756 -1.089 -3.861 1.00 0.00 O ATOM 952 CB ARG A 595 -11.972 1.914 -3.912 1.00 0.00 C ATOM 953 CG ARG A 595 -13.028 2.811 -3.286 1.00 0.00 C ATOM 954 CD ARG A 595 -13.575 3.813 -4.291 1.00 0.00 C ATOM 955 NE ARG A 595 -12.768 5.028 -4.348 1.00 0.00 N ATOM 956 CZ ARG A 595 -13.110 6.106 -5.045 1.00 0.00 C ATOM 957 NH1 ARG A 595 -14.239 6.119 -5.741 1.00 0.00 N ATOM 958 NH2 ARG A 595 -12.323 7.174 -5.047 1.00 0.00 N ATOM 0 H ARG A 595 -10.008 2.730 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.925 0.524 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.261 2.532 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.450 1.257 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.843 2.200 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.598 3.343 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.609 3.354 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -14.600 4.071 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 595 -11.893 5.051 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -14.847 5.300 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -14.499 6.948 -6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -11.454 7.168 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -12.587 8.001 -5.583 1.00 0.00 H new ATOM 972 N MET A 596 -9.123 0.455 -3.972 1.00 0.00 N ATOM 973 CA MET A 596 -8.191 -0.423 -4.671 1.00 0.00 C ATOM 974 C MET A 596 -7.462 -1.335 -3.689 1.00 0.00 C ATOM 975 O MET A 596 -7.392 -2.547 -3.888 1.00 0.00 O ATOM 976 CB MET A 596 -7.178 0.403 -5.466 1.00 0.00 C ATOM 977 CG MET A 596 -7.815 1.491 -6.316 1.00 0.00 C ATOM 978 SD MET A 596 -6.842 1.885 -7.782 1.00 0.00 S ATOM 979 CE MET A 596 -5.933 3.319 -7.210 1.00 0.00 C ATOM 0 H MET A 596 -8.761 1.390 -3.783 1.00 0.00 H new ATOM 0 HA MET A 596 -8.763 -1.044 -5.360 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.472 0.861 -4.774 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.605 -0.263 -6.112 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.812 1.172 -6.621 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.939 2.391 -5.714 1.00 0.00 H new ATOM 0 HE1 MET A 596 -6.183 4.179 -7.831 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.199 3.529 -6.174 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.863 3.122 -7.277 1.00 0.00 H new ATOM 989 N MET A 597 -6.922 -0.743 -2.629 1.00 0.00 N ATOM 990 CA MET A 597 -6.199 -1.503 -1.616 1.00 0.00 C ATOM 991 C MET A 597 -7.149 -2.397 -0.826 1.00 0.00 C ATOM 992 O MET A 597 -7.086 -3.622 -0.919 1.00 0.00 O ATOM 993 CB MET A 597 -5.462 -0.557 -0.666 1.00 0.00 C ATOM 994 CG MET A 597 -4.505 0.390 -1.372 1.00 0.00 C ATOM 995 SD MET A 597 -3.644 -0.394 -2.750 1.00 0.00 S ATOM 996 CE MET A 597 -2.018 -0.635 -2.039 1.00 0.00 C ATOM 0 H MET A 597 -6.971 0.260 -2.449 1.00 0.00 H new ATOM 0 HA MET A 597 -5.471 -2.135 -2.124 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.194 0.028 -0.109 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.905 -1.147 0.062 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.059 1.254 -1.739 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.773 0.762 -0.655 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.319 0.074 -2.482 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.065 -0.475 -0.962 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.680 -1.651 -2.240 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.030 -1.776 -0.048 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.994 -2.516 0.759 1.00 0.00 C ATOM 1008 C ASN A 598 -9.441 -3.786 0.043 1.00 0.00 C ATOM 1009 O ASN A 598 -10.290 -3.744 -0.846 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.208 -1.639 1.072 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.065 -2.215 2.182 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.853 -3.345 2.623 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -12.041 -1.438 2.640 1.00 0.00 N ATOM 0 H ASN A 598 -8.096 -0.762 0.041 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.508 -2.799 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.870 -0.643 1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.812 -1.525 0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.651 -1.772 3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -12.180 -0.508 2.245 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.862 -4.917 0.437 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.214 -6.184 -0.177 1.00 0.00 C ATOM 1022 C GLY A 599 -8.016 -6.887 -0.783 1.00 0.00 C ATOM 1023 O GLY A 599 -8.167 -7.866 -1.512 1.00 0.00 O ATOM 0 H GLY A 599 -8.156 -4.978 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.672 -6.832 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -9.962 -6.014 -0.952 1.00 0.00 H new ATOM 1027 N MET A 600 -6.823 -6.385 -0.482 1.00 0.00 N ATOM 1028 CA MET A 600 -5.594 -6.972 -1.004 1.00 0.00 C ATOM 1029 C MET A 600 -4.940 -7.877 0.035 1.00 0.00 C ATOM 1030 O MET A 600 -4.418 -7.404 1.045 1.00 0.00 O ATOM 1031 CB MET A 600 -4.617 -5.872 -1.426 1.00 0.00 C ATOM 1032 CG MET A 600 -4.140 -5.007 -0.271 1.00 0.00 C ATOM 1033 SD MET A 600 -3.357 -3.480 -0.824 1.00 0.00 S ATOM 1034 CE MET A 600 -2.411 -3.038 0.631 1.00 0.00 C ATOM 0 H MET A 600 -6.681 -5.574 0.120 1.00 0.00 H new ATOM 0 HA MET A 600 -5.850 -7.574 -1.875 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.753 -6.330 -1.907 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.097 -5.237 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.987 -4.765 0.370 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.434 -5.574 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.595 -2.374 0.347 1.00 0.00 H new ATOM 0 HE2 MET A 600 -3.059 -2.531 1.346 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.002 -3.940 1.087 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.973 -9.181 -0.218 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.383 -10.153 0.694 1.00 0.00 C ATOM 1046 C LYS A 601 -2.860 -10.117 0.617 1.00 0.00 C ATOM 1047 O LYS A 601 -2.263 -10.643 -0.324 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.888 -11.561 0.369 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.343 -11.786 0.740 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.666 -13.266 0.857 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.816 -13.511 1.822 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.100 -14.963 1.988 1.00 0.00 N ATOM 0 H LYS A 601 -5.403 -9.589 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.684 -9.891 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.761 -11.746 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.271 -12.290 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.559 -11.290 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.986 -11.331 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.923 -13.662 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.783 -13.806 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.576 -13.075 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.710 -13.005 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -8.890 -15.088 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.354 -15.375 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.255 -15.442 2.360 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.236 -9.496 1.612 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.782 -9.393 1.658 1.00 0.00 C ATOM 1068 C LEU A 602 -0.162 -10.677 2.199 1.00 0.00 C ATOM 1069 O LEU A 602 -0.095 -10.883 3.411 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.362 -8.205 2.525 1.00 0.00 C ATOM 1071 CG LEU A 602 -1.004 -6.861 2.179 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.261 -5.724 2.863 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -1.028 -6.654 0.672 1.00 0.00 C ATOM 0 H LEU A 602 -2.715 -9.056 2.398 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.421 -9.238 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.594 -8.439 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.720 -8.096 2.457 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.032 -6.867 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.731 -4.775 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.295 -5.865 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.777 -5.716 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.488 -5.693 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 602 -0.009 -6.669 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.604 -7.452 0.204 1.00 0.00 H new ATOM 1085 N SER A 603 0.292 -11.537 1.293 1.00 0.00 N ATOM 1086 CA SER A 603 0.906 -12.802 1.680 1.00 0.00 C ATOM 1087 C SER A 603 -0.128 -13.742 2.293 1.00 0.00 C ATOM 1088 O SER A 603 0.202 -14.590 3.121 1.00 0.00 O ATOM 1089 CB SER A 603 2.044 -12.559 2.673 1.00 0.00 C ATOM 1090 OG SER A 603 3.028 -13.575 2.580 1.00 0.00 O ATOM 0 H SER A 603 0.246 -11.381 0.286 1.00 0.00 H new ATOM 0 HA SER A 603 1.311 -13.270 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.500 -11.588 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.645 -12.526 3.687 1.00 0.00 H new ATOM 0 HG SER A 603 3.745 -13.396 3.224 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.382 -13.585 1.879 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.445 -14.425 2.397 1.00 0.00 C ATOM 1098 C GLY A 604 -3.139 -13.809 3.595 1.00 0.00 C ATOM 1099 O GLY A 604 -3.815 -14.504 4.354 1.00 0.00 O ATOM 0 H GLY A 604 -1.680 -12.891 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.177 -14.606 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.034 -15.394 2.678 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.971 -12.502 3.767 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.584 -11.793 4.884 1.00 0.00 C ATOM 1105 C ARG A 605 -4.478 -10.662 4.385 1.00 0.00 C ATOM 1106 O ARG A 605 -4.002 -9.704 3.777 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.506 -11.233 5.814 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.781 -12.299 6.619 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.309 -11.759 7.960 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.951 -12.831 8.886 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.237 -13.426 8.898 1.00 0.00 C ATOM 1112 NH1 ARG A 605 1.176 -13.055 8.039 1.00 0.00 N ATOM 1113 NH2 ARG A 605 0.486 -14.393 9.771 1.00 0.00 N ATOM 0 H ARG A 605 -2.415 -11.912 3.147 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.199 -12.502 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.778 -10.680 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.964 -10.521 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.445 -13.149 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.926 -12.666 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.447 -11.110 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.095 -11.146 8.401 1.00 0.00 H new ATOM 0 HE ARG A 605 -1.651 -13.140 9.560 1.00 0.00 H new ATOM 0 HH11 ARG A 605 0.987 -12.311 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 605 2.087 -13.513 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -0.235 -14.680 10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 605 1.398 -14.850 9.780 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.776 -10.782 4.646 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.737 -9.770 4.222 1.00 0.00 C ATOM 1129 C GLU A 606 -6.643 -8.528 5.103 1.00 0.00 C ATOM 1130 O GLU A 606 -6.435 -8.626 6.313 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.158 -10.334 4.266 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.073 -9.764 3.195 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.524 -9.713 3.633 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.802 -9.111 4.691 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.380 -10.276 2.918 1.00 0.00 O ATOM 0 H GLU A 606 -6.186 -11.569 5.149 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.499 -9.486 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.113 -11.417 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.590 -10.132 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.740 -8.759 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.991 -10.370 2.293 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.798 -7.360 4.487 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.731 -6.099 5.215 1.00 0.00 C ATOM 1144 C ILE A 607 -7.900 -5.191 4.849 1.00 0.00 C ATOM 1145 O ILE A 607 -8.455 -5.287 3.754 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.411 -5.356 4.935 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.140 -5.303 3.430 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.259 -6.031 5.663 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.840 -4.616 3.074 1.00 0.00 C ATOM 0 H ILE A 607 -6.971 -7.261 3.487 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.782 -6.344 6.276 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.500 -4.335 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.124 -6.319 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -5.963 -4.783 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.333 -5.495 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.451 -6.021 6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.166 -7.062 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.713 -4.615 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.860 -3.589 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.009 -5.148 3.536 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.268 -4.308 5.771 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.369 -3.380 5.545 1.00 0.00 C ATOM 1163 C ASP A 608 -8.875 -1.937 5.556 1.00 0.00 C ATOM 1164 O ASP A 608 -8.359 -1.454 6.565 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.451 -3.570 6.610 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.434 -4.665 6.247 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.306 -4.420 5.387 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.332 -5.768 6.823 1.00 0.00 O ATOM 0 H ASP A 608 -7.819 -4.216 6.682 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.794 -3.592 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.980 -3.810 7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.990 -2.633 6.747 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.034 -1.253 4.427 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.604 0.135 4.307 1.00 0.00 C ATOM 1175 C VAL A 609 -9.800 1.073 4.193 1.00 0.00 C ATOM 1176 O VAL A 609 -10.583 0.984 3.247 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.690 0.335 3.084 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.009 1.694 3.142 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.661 -0.782 2.999 1.00 0.00 C ATOM 0 H VAL A 609 -9.457 -1.638 3.583 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.045 0.373 5.212 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.305 0.301 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.367 1.817 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.765 2.480 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.406 1.761 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.024 -0.624 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.049 -0.783 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.171 -1.741 2.906 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.935 1.972 5.163 1.00 0.00 N ATOM 1190 CA ARG A 610 -11.037 2.926 5.171 1.00 0.00 C ATOM 1191 C ARG A 610 -10.521 4.350 5.361 1.00 0.00 C ATOM 1192 O ARG A 610 -9.391 4.557 5.806 1.00 0.00 O ATOM 1193 CB ARG A 610 -12.031 2.581 6.282 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.524 1.144 6.232 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.625 0.218 7.036 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.360 -0.918 7.585 1.00 0.00 N ATOM 1197 CZ ARG A 610 -11.968 -1.599 8.656 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -10.855 -1.259 9.291 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -12.691 -2.621 9.095 1.00 0.00 N ATOM 0 H ARG A 610 -9.295 2.059 5.953 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.544 2.866 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.560 2.761 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.887 3.253 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.541 1.093 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.562 0.807 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -10.818 -0.146 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.163 0.778 7.849 1.00 0.00 H new ATOM 0 HE ARG A 610 -13.222 -1.204 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -10.297 -0.473 8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -10.556 -1.784 10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -13.549 -2.885 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -12.389 -3.143 9.917 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.355 5.326 5.021 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.984 6.729 5.154 1.00 0.00 C ATOM 1215 C ILE A 611 -10.984 7.161 6.616 1.00 0.00 C ATOM 1216 O ILE A 611 -11.982 7.006 7.320 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.937 7.642 4.361 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.706 7.475 2.858 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.746 9.094 4.773 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.425 8.115 2.369 1.00 0.00 C ATOM 0 H ILE A 611 -12.293 5.171 4.651 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.978 6.829 4.748 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.963 7.353 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.687 6.412 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.548 7.908 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.427 9.726 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.956 9.201 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.718 9.396 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.326 7.957 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.450 9.184 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.575 7.665 2.881 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.859 7.706 7.067 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.729 8.163 8.445 1.00 0.00 C ATOM 1234 C ASP A 612 -9.918 9.675 8.536 1.00 0.00 C ATOM 1235 O ASP A 612 -9.000 10.443 8.247 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.362 7.773 9.008 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.395 7.550 10.507 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.872 6.478 10.938 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.944 8.446 11.251 1.00 0.00 O ATOM 0 H ASP A 612 -9.024 7.842 6.497 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.507 7.681 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.016 6.864 8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.640 8.556 8.776 1.00 0.00 H new ATOM 1244 N ARG A 613 -11.113 10.093 8.938 1.00 0.00 N ATOM 1245 CA ARG A 613 -11.423 11.512 9.064 1.00 0.00 C ATOM 1246 C ARG A 613 -10.423 12.207 9.984 1.00 0.00 C ATOM 1247 O ARG A 613 -10.328 11.887 11.168 1.00 0.00 O ATOM 1248 CB ARG A 613 -12.843 11.701 9.601 1.00 0.00 C ATOM 1249 CG ARG A 613 -13.907 11.012 8.763 1.00 0.00 C ATOM 1250 CD ARG A 613 -14.392 11.907 7.633 1.00 0.00 C ATOM 1251 NE ARG A 613 -13.521 11.832 6.463 1.00 0.00 N ATOM 1252 CZ ARG A 613 -13.865 12.280 5.261 1.00 0.00 C ATOM 1253 NH1 ARG A 613 -15.055 12.832 5.071 1.00 0.00 N ATOM 1254 NH2 ARG A 613 -13.017 12.176 4.246 1.00 0.00 N ATOM 0 H ARG A 613 -11.883 9.470 9.182 1.00 0.00 H new ATOM 0 HA ARG A 613 -11.354 11.962 8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 613 -12.891 11.318 10.620 1.00 0.00 H new ATOM 0 HB3 ARG A 613 -13.065 12.767 9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 613 -13.504 10.088 8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 613 -14.749 10.736 9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 613 -15.404 11.618 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 613 -14.441 12.938 7.983 1.00 0.00 H new ATOM 0 HE ARG A 613 -12.598 11.413 6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 613 -15.709 12.914 5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 613 -15.316 13.175 4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 613 -12.100 11.752 4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 613 -13.282 12.520 3.323 1.00 0.00 H new ATOM 1268 N ASN A 614 -9.680 13.160 9.430 1.00 0.00 N ATOM 1269 CA ASN A 614 -8.687 13.899 10.201 1.00 0.00 C ATOM 1270 C ASN A 614 -9.321 14.544 11.430 1.00 0.00 C ATOM 1271 O ASN A 614 -8.764 14.495 12.526 1.00 0.00 O ATOM 1272 CB ASN A 614 -8.031 14.972 9.330 1.00 0.00 C ATOM 1273 CG ASN A 614 -8.816 16.270 9.320 1.00 0.00 C ATOM 1274 OD1 ASN A 614 -8.634 17.125 10.187 1.00 0.00 O ATOM 1275 ND2 ASN A 614 -9.696 16.421 8.337 1.00 0.00 N ATOM 0 H ASN A 614 -9.747 13.438 8.451 1.00 0.00 H new ATOM 0 HA ASN A 614 -7.925 13.195 10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 614 -7.022 15.164 9.694 1.00 0.00 H new ATOM 0 HB3 ASN A 614 -7.937 14.600 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 614 -10.255 17.272 8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 614 -9.813 15.686 7.640 1.00 0.00 H new ATOM 1282 N ALA A 615 -10.490 15.147 11.238 1.00 0.00 N ATOM 1283 CA ALA A 615 -11.201 15.799 12.330 1.00 0.00 C ATOM 1284 C ALA A 615 -12.694 15.893 12.034 1.00 0.00 C ATOM 1285 O ALA A 615 -13.097 16.151 10.900 1.00 0.00 O ATOM 1286 CB ALA A 615 -10.624 17.183 12.585 1.00 0.00 C ATOM 0 H ALA A 615 -10.964 15.197 10.336 1.00 0.00 H new ATOM 0 HA ALA A 615 -11.072 15.193 13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 615 -11.165 17.658 13.403 1.00 0.00 H new ATOM 0 HB2 ALA A 615 -9.570 17.095 12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 615 -10.722 17.790 11.685 1.00 0.00 H new ATOM 1292 N SER A 616 -13.511 15.681 13.061 1.00 0.00 N ATOM 1293 CA SER A 616 -14.960 15.737 12.910 1.00 0.00 C ATOM 1294 C SER A 616 -15.435 17.179 12.757 1.00 0.00 C ATOM 1295 O SER A 616 -15.279 17.995 13.665 1.00 0.00 O ATOM 1296 CB SER A 616 -15.646 15.087 14.114 1.00 0.00 C ATOM 1297 OG SER A 616 -17.037 15.354 14.113 1.00 0.00 O ATOM 0 H SER A 616 -13.194 15.469 14.007 1.00 0.00 H new ATOM 0 HA SER A 616 -15.228 15.187 12.008 1.00 0.00 H new ATOM 0 HB2 SER A 616 -15.479 14.010 14.094 1.00 0.00 H new ATOM 0 HB3 SER A 616 -15.201 15.461 15.036 1.00 0.00 H new ATOM 0 HG SER A 616 -17.453 14.927 14.891 1.00 0.00 H new ATOM 1303 N GLY A 617 -16.015 17.485 11.601 1.00 0.00 N ATOM 1304 CA GLY A 617 -16.504 18.828 11.349 1.00 0.00 C ATOM 1305 C GLY A 617 -16.893 19.041 9.899 1.00 0.00 C ATOM 1306 O GLY A 617 -16.100 18.824 8.983 1.00 0.00 O ATOM 0 H GLY A 617 -16.155 16.827 10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -17.367 19.023 11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -15.735 19.549 11.625 1.00 0.00 H new ATOM 1310 N PRO A 618 -18.142 19.475 9.675 1.00 0.00 N ATOM 1311 CA PRO A 618 -18.663 19.726 8.328 1.00 0.00 C ATOM 1312 C PRO A 618 -18.018 20.943 7.674 1.00 0.00 C ATOM 1313 O PRO A 618 -18.092 22.054 8.199 1.00 0.00 O ATOM 1314 CB PRO A 618 -20.155 19.974 8.565 1.00 0.00 C ATOM 1315 CG PRO A 618 -20.239 20.460 9.971 1.00 0.00 C ATOM 1316 CD PRO A 618 -19.142 19.755 10.719 1.00 0.00 C ATOM 0 HA PRO A 618 -18.457 18.897 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 618 -20.550 20.712 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 618 -20.735 19.062 8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 618 -20.111 21.541 10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 618 -21.214 20.235 10.404 1.00 0.00 H new ATOM 0 HD2 PRO A 618 -18.731 20.380 11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 618 -19.500 18.839 11.188 1.00 0.00 H new ATOM 1324 N SER A 619 -17.387 20.726 6.525 1.00 0.00 N ATOM 1325 CA SER A 619 -16.726 21.806 5.801 1.00 0.00 C ATOM 1326 C SER A 619 -16.609 21.472 4.316 1.00 0.00 C ATOM 1327 O SER A 619 -15.909 20.536 3.932 1.00 0.00 O ATOM 1328 CB SER A 619 -15.337 22.066 6.387 1.00 0.00 C ATOM 1329 OG SER A 619 -15.428 22.668 7.666 1.00 0.00 O ATOM 0 H SER A 619 -17.319 19.813 6.075 1.00 0.00 H new ATOM 0 HA SER A 619 -17.332 22.706 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 619 -14.789 21.127 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 619 -14.771 22.713 5.717 1.00 0.00 H new ATOM 0 HG SER A 619 -16.359 22.646 7.973 1.00 0.00 H new ATOM 1335 N SER A 620 -17.302 22.246 3.487 1.00 0.00 N ATOM 1336 CA SER A 620 -17.281 22.032 2.044 1.00 0.00 C ATOM 1337 C SER A 620 -17.526 23.340 1.297 1.00 0.00 C ATOM 1338 O SER A 620 -18.461 24.077 1.604 1.00 0.00 O ATOM 1339 CB SER A 620 -18.335 20.998 1.645 1.00 0.00 C ATOM 1340 OG SER A 620 -19.644 21.486 1.884 1.00 0.00 O ATOM 0 H SER A 620 -17.885 23.027 3.789 1.00 0.00 H new ATOM 0 HA SER A 620 -16.294 21.658 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 620 -18.223 20.749 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 620 -18.178 20.078 2.208 1.00 0.00 H new ATOM 0 HG SER A 620 -20.300 20.807 1.619 1.00 0.00 H new ATOM 1346 N GLY A 621 -16.676 23.620 0.313 1.00 0.00 N ATOM 1347 CA GLY A 621 -16.816 24.838 -0.463 1.00 0.00 C ATOM 1348 C GLY A 621 -16.356 26.066 0.297 1.00 0.00 C ATOM 1349 O GLY A 621 -16.431 26.108 1.525 1.00 0.00 O ATOM 0 H GLY A 621 -15.894 23.025 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 621 -16.239 24.747 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 621 -17.860 24.963 -0.752 1.00 0.00 H new TER 1353 GLY A 621