USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=24 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 -109:sc= -1.81 (180deg=-3.77!) USER MOD Set 1.2: A 600 MET CE :methyl 142:sc= -6.9! (180deg=-10.8!) USER MOD Set 2.1: A 561 CYS SG : rot 140:sc= -0.267 USER MOD Set 2.2: A 596 MET CE :methyl -143:sc=-0.00377 (180deg=-0.0277) USER MOD Set 3.1: A 571 MET CE :methyl -122:sc= -0.571 (180deg=-0.87) USER MOD Set 3.2: A 576 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 573 ASN : amide:sc= -0.502 K(o=-0.15,f=-5.3!) USER MOD Set 4.2: A 575 LYS NZ :NH3+ -164:sc= 0.352 (180deg=0) USER MOD Single : A 534 SER OG : rot -56:sc= 0.0129 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 537 SER OG : rot 180:sc= 0 USER MOD Single : A 538 SER OG : rot 150:sc= 0 USER MOD Single : A 544 ASN : amide:sc= -2.06! X(o=-2.1!,f=-2) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0.00886 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.158 X(o=-0.16,f=0) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.667 F(o=-2.3!,f=-0.67) USER MOD Single : A 566 TYR OH : rot 180:sc= -0.782 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.567) USER MOD Single : A 579 CYS SG : rot 20:sc= -2.5 USER MOD Single : A 583 LYS NZ :NH3+ -142:sc= 0.971 (180deg=-0.115) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 140:sc= -4.69! USER MOD Single : A 598 ASN : amide:sc= -0.893 K(o=-0.89,f=-4.9!) USER MOD Single : A 601 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.196) USER MOD Single : A 603 SER OG : rot -51:sc= 0.00293 USER MOD Single : A 614 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 SER OG : rot 51:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 -0.324 22.826 -1.012 1.00 0.00 N ATOM 2 CA GLY A 533 -0.556 22.102 0.224 1.00 0.00 C ATOM 3 C GLY A 533 -1.171 22.975 1.300 1.00 0.00 C ATOM 4 O GLY A 533 -1.407 24.164 1.085 1.00 0.00 O ATOM 0 HA2 GLY A 533 -1.214 21.255 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 533 0.388 21.695 0.586 1.00 0.00 H new ATOM 8 N SER A 534 -1.435 22.383 2.460 1.00 0.00 N ATOM 9 CA SER A 534 -2.032 23.113 3.572 1.00 0.00 C ATOM 10 C SER A 534 -3.464 23.526 3.244 1.00 0.00 C ATOM 11 O SER A 534 -3.887 24.640 3.555 1.00 0.00 O ATOM 12 CB SER A 534 -1.197 24.350 3.906 1.00 0.00 C ATOM 13 OG SER A 534 -1.450 24.796 5.227 1.00 0.00 O ATOM 0 H SER A 534 -1.245 21.400 2.654 1.00 0.00 H new ATOM 0 HA SER A 534 -2.051 22.452 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 534 -0.138 24.118 3.794 1.00 0.00 H new ATOM 0 HB3 SER A 534 -1.425 25.148 3.200 1.00 0.00 H new ATOM 0 HG SER A 534 -2.408 24.973 5.335 1.00 0.00 H new ATOM 19 N SER A 535 -4.205 22.621 2.613 1.00 0.00 N ATOM 20 CA SER A 535 -5.588 22.891 2.238 1.00 0.00 C ATOM 21 C SER A 535 -6.551 22.070 3.089 1.00 0.00 C ATOM 22 O SER A 535 -7.399 22.619 3.792 1.00 0.00 O ATOM 23 CB SER A 535 -5.807 22.580 0.756 1.00 0.00 C ATOM 24 OG SER A 535 -7.134 22.881 0.363 1.00 0.00 O ATOM 0 H SER A 535 -3.871 21.694 2.351 1.00 0.00 H new ATOM 0 HA SER A 535 -5.786 23.948 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 535 -5.106 23.157 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 535 -5.598 21.527 0.567 1.00 0.00 H new ATOM 0 HG SER A 535 -7.248 22.675 -0.588 1.00 0.00 H new ATOM 30 N GLY A 536 -6.415 20.749 3.020 1.00 0.00 N ATOM 31 CA GLY A 536 -7.279 19.873 3.789 1.00 0.00 C ATOM 32 C GLY A 536 -7.076 18.410 3.444 1.00 0.00 C ATOM 33 O GLY A 536 -8.042 17.669 3.261 1.00 0.00 O ATOM 0 H GLY A 536 -5.722 20.270 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -7.089 20.022 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -8.319 20.145 3.610 1.00 0.00 H new ATOM 37 N SER A 537 -5.817 17.995 3.354 1.00 0.00 N ATOM 38 CA SER A 537 -5.490 16.612 3.024 1.00 0.00 C ATOM 39 C SER A 537 -6.180 15.647 3.983 1.00 0.00 C ATOM 40 O SER A 537 -6.606 16.034 5.071 1.00 0.00 O ATOM 41 CB SER A 537 -3.976 16.399 3.069 1.00 0.00 C ATOM 42 OG SER A 537 -3.458 16.693 4.355 1.00 0.00 O ATOM 0 H SER A 537 -5.007 18.596 3.505 1.00 0.00 H new ATOM 0 HA SER A 537 -5.848 16.411 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 537 -3.743 15.367 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 537 -3.494 17.034 2.325 1.00 0.00 H new ATOM 0 HG SER A 537 -2.489 16.547 4.358 1.00 0.00 H new ATOM 48 N SER A 538 -6.286 14.388 3.570 1.00 0.00 N ATOM 49 CA SER A 538 -6.928 13.366 4.390 1.00 0.00 C ATOM 50 C SER A 538 -6.112 12.077 4.388 1.00 0.00 C ATOM 51 O SER A 538 -5.622 11.641 3.347 1.00 0.00 O ATOM 52 CB SER A 538 -8.343 13.088 3.881 1.00 0.00 C ATOM 53 OG SER A 538 -9.248 14.087 4.319 1.00 0.00 O ATOM 0 H SER A 538 -5.936 14.051 2.673 1.00 0.00 H new ATOM 0 HA SER A 538 -6.985 13.738 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 538 -8.340 13.048 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 538 -8.675 12.112 4.235 1.00 0.00 H new ATOM 0 HG SER A 538 -9.964 14.192 3.658 1.00 0.00 H new ATOM 59 N GLY A 539 -5.971 11.471 5.563 1.00 0.00 N ATOM 60 CA GLY A 539 -5.214 10.238 5.676 1.00 0.00 C ATOM 61 C GLY A 539 -6.096 9.042 5.976 1.00 0.00 C ATOM 62 O GLY A 539 -7.037 9.139 6.764 1.00 0.00 O ATOM 0 H GLY A 539 -6.368 11.812 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 539 -4.672 10.062 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.469 10.343 6.465 1.00 0.00 H new ATOM 66 N ILE A 540 -5.792 7.913 5.347 1.00 0.00 N ATOM 67 CA ILE A 540 -6.565 6.693 5.551 1.00 0.00 C ATOM 68 C ILE A 540 -5.958 5.837 6.657 1.00 0.00 C ATOM 69 O ILE A 540 -4.990 6.235 7.305 1.00 0.00 O ATOM 70 CB ILE A 540 -6.650 5.858 4.259 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.290 5.235 3.939 1.00 0.00 C ATOM 72 CG2 ILE A 540 -7.130 6.721 3.102 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.359 4.135 2.902 1.00 0.00 C ATOM 0 H ILE A 540 -5.016 7.817 4.692 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.569 7.000 5.842 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.370 5.054 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.616 6.015 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.859 4.833 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -7.185 6.117 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -8.117 7.121 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.432 7.544 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.359 3.739 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -6.007 3.336 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.761 4.537 1.972 1.00 0.00 H new ATOM 85 N PHE A 541 -6.534 4.658 6.868 1.00 0.00 N ATOM 86 CA PHE A 541 -6.050 3.744 7.896 1.00 0.00 C ATOM 87 C PHE A 541 -6.166 2.295 7.434 1.00 0.00 C ATOM 88 O PHE A 541 -7.077 1.941 6.684 1.00 0.00 O ATOM 89 CB PHE A 541 -6.836 3.941 9.195 1.00 0.00 C ATOM 90 CG PHE A 541 -6.037 3.640 10.430 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.805 2.330 10.819 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.518 4.666 11.203 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.070 2.049 11.955 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.781 4.391 12.340 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.558 3.082 12.717 1.00 0.00 C ATOM 0 H PHE A 541 -7.336 4.313 6.341 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.998 3.966 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.191 4.971 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.718 3.301 9.177 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.203 1.519 10.227 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.691 5.692 10.914 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -4.896 1.024 12.247 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.380 5.200 12.933 1.00 0.00 H new ATOM 0 HZ PHE A 541 -3.984 2.865 13.606 1.00 0.00 H new ATOM 105 N VAL A 542 -5.236 1.459 7.885 1.00 0.00 N ATOM 106 CA VAL A 542 -5.233 0.048 7.519 1.00 0.00 C ATOM 107 C VAL A 542 -5.056 -0.838 8.747 1.00 0.00 C ATOM 108 O VAL A 542 -4.453 -0.428 9.739 1.00 0.00 O ATOM 109 CB VAL A 542 -4.116 -0.267 6.507 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.293 -1.664 5.933 1.00 0.00 C ATOM 111 CG2 VAL A 542 -4.094 0.774 5.398 1.00 0.00 C ATOM 0 H VAL A 542 -4.475 1.735 8.505 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.199 -0.162 7.060 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.159 -0.233 7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.494 -1.868 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.255 -2.396 6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.256 -1.730 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.299 0.536 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -5.053 0.773 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.915 1.760 5.828 1.00 0.00 H new ATOM 121 N ARG A 543 -5.584 -2.055 8.673 1.00 0.00 N ATOM 122 CA ARG A 543 -5.485 -3.000 9.779 1.00 0.00 C ATOM 123 C ARG A 543 -5.323 -4.426 9.262 1.00 0.00 C ATOM 124 O ARG A 543 -5.688 -4.731 8.128 1.00 0.00 O ATOM 125 CB ARG A 543 -6.725 -2.906 10.670 1.00 0.00 C ATOM 126 CG ARG A 543 -6.607 -1.864 11.770 1.00 0.00 C ATOM 127 CD ARG A 543 -7.793 -1.922 12.721 1.00 0.00 C ATOM 128 NE ARG A 543 -7.917 -3.228 13.363 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.555 -4.257 12.818 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.124 -4.132 11.626 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.625 -5.414 13.464 1.00 0.00 N ATOM 0 H ARG A 543 -6.085 -2.410 7.859 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.604 -2.743 10.367 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.590 -2.671 10.050 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.912 -3.880 11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.684 -2.024 12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.543 -0.870 11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.683 -1.152 13.484 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.708 -1.699 12.173 1.00 0.00 H new ATOM 0 HE ARG A 543 -7.490 -3.357 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.072 -3.244 11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.614 -4.924 11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -8.188 -5.514 14.380 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -9.115 -6.204 13.044 1.00 0.00 H new ATOM 145 N ASN A 544 -4.773 -5.296 10.104 1.00 0.00 N ATOM 146 CA ASN A 544 -4.561 -6.690 9.732 1.00 0.00 C ATOM 147 C ASN A 544 -3.397 -6.822 8.754 1.00 0.00 C ATOM 148 O ASN A 544 -3.450 -7.614 7.812 1.00 0.00 O ATOM 149 CB ASN A 544 -5.832 -7.272 9.110 1.00 0.00 C ATOM 150 CG ASN A 544 -5.854 -8.788 9.152 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.457 -9.387 10.043 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.195 -9.416 8.185 1.00 0.00 N ATOM 0 H ASN A 544 -4.466 -5.060 11.048 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.318 -7.248 10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.703 -6.884 9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.913 -6.939 8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.175 -10.436 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.709 -8.879 7.467 1.00 0.00 H new ATOM 159 N LEU A 545 -2.347 -6.041 8.985 1.00 0.00 N ATOM 160 CA LEU A 545 -1.169 -6.071 8.125 1.00 0.00 C ATOM 161 C LEU A 545 -0.138 -7.065 8.648 1.00 0.00 C ATOM 162 O LEU A 545 0.040 -7.236 9.855 1.00 0.00 O ATOM 163 CB LEU A 545 -0.547 -4.676 8.031 1.00 0.00 C ATOM 164 CG LEU A 545 -1.326 -3.647 7.211 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.902 -2.235 7.584 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.127 -3.891 5.722 1.00 0.00 C ATOM 0 H LEU A 545 -2.287 -5.380 9.760 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.483 -6.391 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.423 -4.287 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.450 -4.773 7.602 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.386 -3.757 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.467 -1.517 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.097 -2.064 8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.163 -2.111 7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.689 -3.150 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.068 -3.809 5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.482 -4.889 5.466 1.00 0.00 H new ATOM 178 N PRO A 546 0.560 -7.737 7.721 1.00 0.00 N ATOM 179 CA PRO A 546 1.588 -8.724 8.065 1.00 0.00 C ATOM 180 C PRO A 546 2.829 -8.081 8.674 1.00 0.00 C ATOM 181 O PRO A 546 3.326 -7.071 8.175 1.00 0.00 O ATOM 182 CB PRO A 546 1.926 -9.368 6.718 1.00 0.00 C ATOM 183 CG PRO A 546 1.579 -8.333 5.705 1.00 0.00 C ATOM 184 CD PRO A 546 0.401 -7.584 6.265 1.00 0.00 C ATOM 0 HA PRO A 546 1.238 -9.432 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.980 -9.639 6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.354 -10.282 6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.420 -7.662 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.331 -8.792 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.413 -6.535 5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.543 -8.003 5.918 1.00 0.00 H new ATOM 192 N PHE A 547 3.326 -8.673 9.755 1.00 0.00 N ATOM 193 CA PHE A 547 4.510 -8.157 10.433 1.00 0.00 C ATOM 194 C PHE A 547 5.530 -7.635 9.425 1.00 0.00 C ATOM 195 O PHE A 547 5.850 -6.447 9.409 1.00 0.00 O ATOM 196 CB PHE A 547 5.143 -9.247 11.299 1.00 0.00 C ATOM 197 CG PHE A 547 4.207 -9.817 12.327 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.550 -8.986 13.220 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.985 -11.182 12.399 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.687 -9.507 14.166 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.123 -11.709 13.343 1.00 0.00 C ATOM 202 CZ PHE A 547 2.474 -10.870 14.228 1.00 0.00 C ATOM 0 H PHE A 547 2.928 -9.510 10.180 1.00 0.00 H new ATOM 0 HA PHE A 547 4.201 -7.329 11.072 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.496 -10.052 10.655 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.017 -8.836 11.804 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.714 -7.919 13.177 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.491 -11.842 11.710 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.180 -8.849 14.856 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.957 -12.775 13.388 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.801 -11.279 14.967 1.00 0.00 H new ATOM 212 N ASP A 548 6.036 -8.533 8.587 1.00 0.00 N ATOM 213 CA ASP A 548 7.019 -8.164 7.575 1.00 0.00 C ATOM 214 C ASP A 548 6.749 -6.762 7.039 1.00 0.00 C ATOM 215 O ASP A 548 7.662 -5.946 6.917 1.00 0.00 O ATOM 216 CB ASP A 548 7.003 -9.174 6.426 1.00 0.00 C ATOM 217 CG ASP A 548 8.243 -9.083 5.559 1.00 0.00 C ATOM 218 OD1 ASP A 548 9.286 -9.646 5.953 1.00 0.00 O ATOM 219 OD2 ASP A 548 8.170 -8.450 4.485 1.00 0.00 O ATOM 0 H ASP A 548 5.782 -9.521 8.588 1.00 0.00 H new ATOM 0 HA ASP A 548 8.004 -8.171 8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.921 -10.182 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 548 6.119 -9.006 5.810 1.00 0.00 H new ATOM 224 N PHE A 549 5.488 -6.488 6.721 1.00 0.00 N ATOM 225 CA PHE A 549 5.097 -5.185 6.196 1.00 0.00 C ATOM 226 C PHE A 549 5.849 -4.064 6.909 1.00 0.00 C ATOM 227 O PHE A 549 5.577 -3.759 8.071 1.00 0.00 O ATOM 228 CB PHE A 549 3.588 -4.981 6.351 1.00 0.00 C ATOM 229 CG PHE A 549 2.990 -4.106 5.287 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.708 -4.615 4.030 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.709 -2.774 5.544 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.158 -3.812 3.049 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.158 -1.965 4.567 1.00 0.00 C ATOM 234 CZ PHE A 549 1.882 -2.486 3.318 1.00 0.00 C ATOM 0 H PHE A 549 4.719 -7.151 6.818 1.00 0.00 H new ATOM 0 HA PHE A 549 5.354 -5.155 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.094 -5.952 6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.387 -4.541 7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.920 -5.652 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 549 2.923 -2.362 6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 549 1.944 -4.221 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 549 1.944 -0.928 4.780 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.451 -1.857 2.553 1.00 0.00 H new ATOM 244 N THR A 550 6.796 -3.454 6.204 1.00 0.00 N ATOM 245 CA THR A 550 7.589 -2.369 6.767 1.00 0.00 C ATOM 246 C THR A 550 7.113 -1.016 6.253 1.00 0.00 C ATOM 247 O THR A 550 6.568 -0.916 5.154 1.00 0.00 O ATOM 248 CB THR A 550 9.084 -2.534 6.435 1.00 0.00 C ATOM 249 OG1 THR A 550 9.238 -3.042 5.105 1.00 0.00 O ATOM 250 CG2 THR A 550 9.757 -3.476 7.423 1.00 0.00 C ATOM 0 H THR A 550 7.033 -3.693 5.241 1.00 0.00 H new ATOM 0 HA THR A 550 7.458 -2.411 7.848 1.00 0.00 H new ATOM 0 HB THR A 550 9.559 -1.556 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.191 -3.142 4.901 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.812 -3.577 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.664 -3.073 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.278 -4.454 7.378 1.00 0.00 H new ATOM 258 N TRP A 551 7.321 0.023 7.054 1.00 0.00 N ATOM 259 CA TRP A 551 6.913 1.372 6.679 1.00 0.00 C ATOM 260 C TRP A 551 7.148 1.618 5.193 1.00 0.00 C ATOM 261 O TRP A 551 6.277 2.135 4.493 1.00 0.00 O ATOM 262 CB TRP A 551 7.676 2.407 7.507 1.00 0.00 C ATOM 263 CG TRP A 551 9.147 2.429 7.221 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.103 1.633 7.785 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.829 3.290 6.304 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.339 1.948 7.273 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.198 2.961 6.362 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.417 4.307 5.437 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.153 3.614 5.588 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.367 4.953 4.670 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.722 4.604 4.748 1.00 0.00 C ATOM 0 H TRP A 551 7.770 -0.043 7.968 1.00 0.00 H new ATOM 0 HA TRP A 551 5.846 1.471 6.881 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.260 3.396 7.312 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.522 2.200 8.566 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.915 0.869 8.524 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.219 1.500 7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.375 4.582 5.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.198 3.348 5.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.060 5.741 3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.440 5.127 4.133 1.00 0.00 H new ATOM 282 N LYS A 552 8.331 1.245 4.716 1.00 0.00 N ATOM 283 CA LYS A 552 8.681 1.423 3.311 1.00 0.00 C ATOM 284 C LYS A 552 7.579 0.886 2.403 1.00 0.00 C ATOM 285 O LYS A 552 7.114 1.580 1.500 1.00 0.00 O ATOM 286 CB LYS A 552 10.003 0.717 3.000 1.00 0.00 C ATOM 287 CG LYS A 552 11.224 1.597 3.198 1.00 0.00 C ATOM 288 CD LYS A 552 11.572 2.361 1.931 1.00 0.00 C ATOM 289 CE LYS A 552 10.472 3.340 1.550 1.00 0.00 C ATOM 290 NZ LYS A 552 10.880 4.221 0.421 1.00 0.00 N ATOM 0 H LYS A 552 9.064 0.817 5.282 1.00 0.00 H new ATOM 0 HA LYS A 552 8.794 2.491 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.093 -0.164 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 552 9.983 0.365 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.039 2.301 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 552 12.072 0.982 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.507 2.902 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 552 11.734 1.658 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 552 9.574 2.788 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 552 10.216 3.953 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 10.103 4.873 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 11.722 4.767 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 11.100 3.638 -0.412 1.00 0.00 H new ATOM 304 N MET A 553 7.167 -0.353 2.650 1.00 0.00 N ATOM 305 CA MET A 553 6.117 -0.981 1.856 1.00 0.00 C ATOM 306 C MET A 553 4.850 -0.132 1.862 1.00 0.00 C ATOM 307 O MET A 553 4.366 0.287 0.809 1.00 0.00 O ATOM 308 CB MET A 553 5.811 -2.380 2.392 1.00 0.00 C ATOM 309 CG MET A 553 6.953 -3.366 2.207 1.00 0.00 C ATOM 310 SD MET A 553 6.563 -5.009 2.839 1.00 0.00 S ATOM 311 CE MET A 553 5.573 -5.661 1.497 1.00 0.00 C ATOM 0 H MET A 553 7.544 -0.942 3.393 1.00 0.00 H new ATOM 0 HA MET A 553 6.472 -1.064 0.829 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.572 -2.309 3.453 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.924 -2.766 1.890 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.198 -3.438 1.147 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.840 -2.987 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.255 -6.675 1.739 1.00 0.00 H new ATOM 0 HE2 MET A 553 4.696 -5.030 1.352 1.00 0.00 H new ATOM 0 HE3 MET A 553 6.165 -5.675 0.582 1.00 0.00 H new ATOM 321 N LEU A 554 4.315 0.117 3.052 1.00 0.00 N ATOM 322 CA LEU A 554 3.103 0.915 3.195 1.00 0.00 C ATOM 323 C LEU A 554 3.107 2.090 2.222 1.00 0.00 C ATOM 324 O LEU A 554 2.089 2.404 1.606 1.00 0.00 O ATOM 325 CB LEU A 554 2.972 1.427 4.630 1.00 0.00 C ATOM 326 CG LEU A 554 1.630 2.064 4.996 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.526 1.019 4.999 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.718 2.753 6.350 1.00 0.00 C ATOM 0 H LEU A 554 4.702 -0.223 3.932 1.00 0.00 H new ATOM 0 HA LEU A 554 2.249 0.278 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.154 0.594 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.759 2.160 4.806 1.00 0.00 H new ATOM 0 HG LEU A 554 1.389 2.815 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.421 1.491 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.446 0.571 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.760 0.244 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.754 3.200 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.982 2.022 7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.480 3.531 6.313 1.00 0.00 H new ATOM 340 N LYS A 555 4.261 2.736 2.087 1.00 0.00 N ATOM 341 CA LYS A 555 4.401 3.874 1.187 1.00 0.00 C ATOM 342 C LYS A 555 4.441 3.416 -0.267 1.00 0.00 C ATOM 343 O LYS A 555 3.509 3.665 -1.033 1.00 0.00 O ATOM 344 CB LYS A 555 5.670 4.661 1.520 1.00 0.00 C ATOM 345 CG LYS A 555 5.982 5.763 0.522 1.00 0.00 C ATOM 346 CD LYS A 555 7.466 6.090 0.498 1.00 0.00 C ATOM 347 CE LYS A 555 7.727 7.448 -0.134 1.00 0.00 C ATOM 348 NZ LYS A 555 7.798 7.366 -1.619 1.00 0.00 N ATOM 0 H LYS A 555 5.113 2.490 2.590 1.00 0.00 H new ATOM 0 HA LYS A 555 3.534 4.521 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.565 5.100 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.514 3.972 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.660 5.456 -0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.415 6.658 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 555 7.859 6.079 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.000 5.320 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 555 6.936 8.140 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 555 8.662 7.854 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 7.977 8.313 -2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 8.569 6.725 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 6.897 7.003 -1.990 1.00 0.00 H new ATOM 362 N ASP A 556 5.524 2.744 -0.641 1.00 0.00 N ATOM 363 CA ASP A 556 5.684 2.248 -2.004 1.00 0.00 C ATOM 364 C ASP A 556 4.428 1.517 -2.467 1.00 0.00 C ATOM 365 O ASP A 556 3.772 1.931 -3.422 1.00 0.00 O ATOM 366 CB ASP A 556 6.894 1.317 -2.091 1.00 0.00 C ATOM 367 CG ASP A 556 6.773 0.316 -3.224 1.00 0.00 C ATOM 368 OD1 ASP A 556 7.022 0.701 -4.386 1.00 0.00 O ATOM 369 OD2 ASP A 556 6.431 -0.853 -2.948 1.00 0.00 O ATOM 0 H ASP A 556 6.304 2.530 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 556 5.846 3.103 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.797 1.911 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 556 7.006 0.782 -1.148 1.00 0.00 H new ATOM 374 N LYS A 557 4.100 0.425 -1.784 1.00 0.00 N ATOM 375 CA LYS A 557 2.923 -0.366 -2.124 1.00 0.00 C ATOM 376 C LYS A 557 1.747 0.536 -2.486 1.00 0.00 C ATOM 377 O LYS A 557 1.074 0.321 -3.494 1.00 0.00 O ATOM 378 CB LYS A 557 2.540 -1.276 -0.955 1.00 0.00 C ATOM 379 CG LYS A 557 1.141 -1.856 -1.069 1.00 0.00 C ATOM 380 CD LYS A 557 0.996 -2.721 -2.310 1.00 0.00 C ATOM 381 CE LYS A 557 1.383 -4.166 -2.031 1.00 0.00 C ATOM 382 NZ LYS A 557 1.904 -4.846 -3.249 1.00 0.00 N ATOM 0 H LYS A 557 4.633 0.068 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 557 3.167 -0.981 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.259 -2.093 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.616 -0.711 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.919 -2.450 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.412 -1.046 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.034 -2.681 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.623 -2.323 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.140 -4.194 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.515 -4.708 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.156 -5.828 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.173 -4.842 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.747 -4.344 -3.593 1.00 0.00 H new ATOM 396 N PHE A 558 1.507 1.548 -1.659 1.00 0.00 N ATOM 397 CA PHE A 558 0.413 2.484 -1.893 1.00 0.00 C ATOM 398 C PHE A 558 0.776 3.482 -2.988 1.00 0.00 C ATOM 399 O PHE A 558 -0.099 4.028 -3.659 1.00 0.00 O ATOM 400 CB PHE A 558 0.066 3.229 -0.602 1.00 0.00 C ATOM 401 CG PHE A 558 -0.767 2.421 0.351 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.368 1.151 0.736 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.950 2.932 0.862 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.134 0.406 1.613 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.719 2.191 1.740 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.310 0.927 2.116 1.00 0.00 C ATOM 0 H PHE A 558 2.055 1.741 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.456 1.914 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 558 0.989 3.525 -0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.469 4.145 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.551 0.739 0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.275 3.920 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.813 -0.583 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.639 2.600 2.131 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.909 0.347 2.802 1.00 0.00 H new ATOM 416 N ASN A 559 2.072 3.715 -3.162 1.00 0.00 N ATOM 417 CA ASN A 559 2.552 4.648 -4.175 1.00 0.00 C ATOM 418 C ASN A 559 1.915 4.356 -5.530 1.00 0.00 C ATOM 419 O ASN A 559 1.840 5.229 -6.393 1.00 0.00 O ATOM 420 CB ASN A 559 4.076 4.572 -4.288 1.00 0.00 C ATOM 421 CG ASN A 559 4.677 5.835 -4.873 1.00 0.00 C ATOM 422 OD1 ASN A 559 5.342 5.798 -5.909 1.00 0.00 O ATOM 423 ND2 ASN A 559 4.445 6.962 -4.211 1.00 0.00 N ATOM 0 H ASN A 559 2.809 3.271 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 559 2.267 5.655 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.502 4.394 -3.301 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.349 3.721 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 559 4.823 7.844 -4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 559 3.888 6.946 -3.356 1.00 0.00 H new ATOM 430 N GLU A 560 1.457 3.120 -5.708 1.00 0.00 N ATOM 431 CA GLU A 560 0.827 2.713 -6.958 1.00 0.00 C ATOM 432 C GLU A 560 -0.389 3.583 -7.263 1.00 0.00 C ATOM 433 O GLU A 560 -0.526 4.112 -8.367 1.00 0.00 O ATOM 434 CB GLU A 560 0.410 1.242 -6.889 1.00 0.00 C ATOM 435 CG GLU A 560 1.562 0.273 -7.094 1.00 0.00 C ATOM 436 CD GLU A 560 1.106 -1.172 -7.151 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.718 -1.628 -8.247 1.00 0.00 O ATOM 438 OE2 GLU A 560 1.137 -1.847 -6.101 1.00 0.00 O ATOM 0 H GLU A 560 1.511 2.385 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 560 1.554 2.841 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 560 -0.049 1.048 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 560 -0.352 1.053 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.082 0.523 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.280 0.392 -6.283 1.00 0.00 H new ATOM 445 N CYS A 561 -1.269 3.726 -6.278 1.00 0.00 N ATOM 446 CA CYS A 561 -2.475 4.531 -6.441 1.00 0.00 C ATOM 447 C CYS A 561 -2.122 5.990 -6.711 1.00 0.00 C ATOM 448 O CYS A 561 -2.592 6.584 -7.681 1.00 0.00 O ATOM 449 CB CYS A 561 -3.353 4.428 -5.194 1.00 0.00 C ATOM 450 SG CYS A 561 -4.741 5.588 -5.171 1.00 0.00 S ATOM 0 H CYS A 561 -1.170 3.295 -5.359 1.00 0.00 H new ATOM 0 HA CYS A 561 -3.027 4.146 -7.298 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.741 3.412 -5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.735 4.599 -4.312 1.00 0.00 H new ATOM 0 HG CYS A 561 -5.795 4.994 -4.696 1.00 0.00 H new ATOM 456 N GLY A 562 -1.292 6.563 -5.845 1.00 0.00 N ATOM 457 CA GLY A 562 -0.892 7.949 -6.006 1.00 0.00 C ATOM 458 C GLY A 562 0.403 8.266 -5.285 1.00 0.00 C ATOM 459 O GLY A 562 1.201 7.371 -5.003 1.00 0.00 O ATOM 0 H GLY A 562 -0.889 6.092 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.777 8.170 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.682 8.598 -5.629 1.00 0.00 H new ATOM 463 N HIS A 563 0.615 9.544 -4.988 1.00 0.00 N ATOM 464 CA HIS A 563 1.824 9.977 -4.296 1.00 0.00 C ATOM 465 C HIS A 563 1.630 9.935 -2.783 1.00 0.00 C ATOM 466 O HIS A 563 0.792 10.651 -2.234 1.00 0.00 O ATOM 467 CB HIS A 563 2.208 11.392 -4.733 1.00 0.00 C ATOM 468 CG HIS A 563 3.465 11.895 -4.094 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.861 11.899 -2.799 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.489 12.483 -4.807 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 5.104 12.481 -2.754 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.460 12.824 -3.979 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.034 10.297 -5.215 1.00 0.00 H new ATOM 0 HA HIS A 563 2.629 9.291 -4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.329 11.409 -5.816 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.391 12.072 -4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 563 4.496 12.640 -5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.694 12.633 -1.862 1.00 0.00 H new ATOM 0 HE2 HIS A 563 6.336 13.276 -4.241 1.00 0.00 H new ATOM 481 N VAL A 564 2.408 9.090 -2.115 1.00 0.00 N ATOM 482 CA VAL A 564 2.322 8.954 -0.666 1.00 0.00 C ATOM 483 C VAL A 564 3.177 10.002 0.037 1.00 0.00 C ATOM 484 O VAL A 564 4.367 10.140 -0.247 1.00 0.00 O ATOM 485 CB VAL A 564 2.767 7.553 -0.206 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.742 7.456 1.312 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.885 6.482 -0.831 1.00 0.00 C ATOM 0 H VAL A 564 3.105 8.489 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 564 1.276 9.102 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 564 3.791 7.389 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.059 6.459 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.419 8.198 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.730 7.641 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.214 5.498 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.850 6.641 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.959 6.538 -1.917 1.00 0.00 H new ATOM 497 N LEU A 565 2.562 10.740 0.955 1.00 0.00 N ATOM 498 CA LEU A 565 3.267 11.778 1.700 1.00 0.00 C ATOM 499 C LEU A 565 3.737 11.253 3.052 1.00 0.00 C ATOM 500 O LEU A 565 4.847 11.552 3.495 1.00 0.00 O ATOM 501 CB LEU A 565 2.362 12.994 1.899 1.00 0.00 C ATOM 502 CG LEU A 565 1.796 13.626 0.626 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.749 14.674 0.970 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.913 14.239 -0.206 1.00 0.00 C ATOM 0 H LEU A 565 1.577 10.639 1.201 1.00 0.00 H new ATOM 0 HA LEU A 565 4.142 12.075 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.528 12.701 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.924 13.755 2.440 1.00 0.00 H new ATOM 0 HG LEU A 565 1.317 12.844 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.358 15.113 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.065 14.207 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.203 15.455 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.493 14.684 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.420 15.009 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.628 13.464 -0.483 1.00 0.00 H new ATOM 516 N TYR A 566 2.888 10.466 3.704 1.00 0.00 N ATOM 517 CA TYR A 566 3.216 9.899 5.006 1.00 0.00 C ATOM 518 C TYR A 566 2.930 8.401 5.036 1.00 0.00 C ATOM 519 O TYR A 566 2.059 7.910 4.319 1.00 0.00 O ATOM 520 CB TYR A 566 2.422 10.603 6.107 1.00 0.00 C ATOM 521 CG TYR A 566 2.668 10.038 7.488 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.953 9.965 8.011 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.616 9.577 8.269 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.183 9.449 9.271 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.837 9.060 9.532 1.00 0.00 C ATOM 526 CZ TYR A 566 3.122 8.998 10.028 1.00 0.00 C ATOM 527 OH TYR A 566 3.347 8.484 11.284 1.00 0.00 O ATOM 0 H TYR A 566 1.967 10.206 3.351 1.00 0.00 H new ATOM 0 HA TYR A 566 4.281 10.051 5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.678 11.663 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.359 10.531 5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.787 10.318 7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.608 9.623 7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.189 9.399 9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.008 8.707 10.127 1.00 0.00 H new ATOM 0 HH TYR A 566 2.494 8.212 11.684 1.00 0.00 H new ATOM 537 N ALA A 567 3.671 7.680 5.871 1.00 0.00 N ATOM 538 CA ALA A 567 3.497 6.238 5.997 1.00 0.00 C ATOM 539 C ALA A 567 4.232 5.701 7.221 1.00 0.00 C ATOM 540 O ALA A 567 5.462 5.664 7.250 1.00 0.00 O ATOM 541 CB ALA A 567 3.982 5.536 4.737 1.00 0.00 C ATOM 0 H ALA A 567 4.398 8.071 6.470 1.00 0.00 H new ATOM 0 HA ALA A 567 2.434 6.035 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.846 4.460 4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.409 5.890 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.039 5.755 4.582 1.00 0.00 H new ATOM 547 N ASP A 568 3.471 5.288 8.228 1.00 0.00 N ATOM 548 CA ASP A 568 4.050 4.753 9.454 1.00 0.00 C ATOM 549 C ASP A 568 3.240 3.565 9.965 1.00 0.00 C ATOM 550 O ASP A 568 2.050 3.441 9.672 1.00 0.00 O ATOM 551 CB ASP A 568 4.118 5.840 10.528 1.00 0.00 C ATOM 552 CG ASP A 568 5.036 5.465 11.674 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.269 5.470 11.472 1.00 0.00 O ATOM 554 OD2 ASP A 568 4.524 5.165 12.773 1.00 0.00 O ATOM 0 H ASP A 568 2.451 5.313 8.219 1.00 0.00 H new ATOM 0 HA ASP A 568 5.060 4.411 9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.465 6.770 10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.116 6.027 10.915 1.00 0.00 H new ATOM 559 N ILE A 569 3.892 2.695 10.728 1.00 0.00 N ATOM 560 CA ILE A 569 3.232 1.518 11.279 1.00 0.00 C ATOM 561 C ILE A 569 3.029 1.655 12.784 1.00 0.00 C ATOM 562 O ILE A 569 3.936 1.385 13.571 1.00 0.00 O ATOM 563 CB ILE A 569 4.038 0.236 10.996 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.345 0.121 9.501 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.276 -0.987 11.482 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.173 -0.371 8.680 1.00 0.00 C ATOM 0 H ILE A 569 4.877 2.783 10.979 1.00 0.00 H new ATOM 0 HA ILE A 569 2.261 1.443 10.789 1.00 0.00 H new ATOM 0 HB ILE A 569 4.982 0.290 11.539 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.657 1.096 9.126 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.186 -0.558 9.362 1.00 0.00 H new ATOM 0 HG21 ILE A 569 3.859 -1.885 11.275 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.104 -0.906 12.555 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.319 -1.048 10.965 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.462 -0.428 7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.874 -1.360 9.028 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.337 0.320 8.789 1.00 0.00 H new ATOM 578 N LYS A 570 1.832 2.076 13.178 1.00 0.00 N ATOM 579 CA LYS A 570 1.507 2.246 14.589 1.00 0.00 C ATOM 580 C LYS A 570 1.947 1.031 15.400 1.00 0.00 C ATOM 581 O LYS A 570 1.594 -0.103 15.077 1.00 0.00 O ATOM 582 CB LYS A 570 0.003 2.472 14.764 1.00 0.00 C ATOM 583 CG LYS A 570 -0.509 3.722 14.069 1.00 0.00 C ATOM 584 CD LYS A 570 -0.221 4.971 14.885 1.00 0.00 C ATOM 585 CE LYS A 570 -0.559 6.234 14.108 1.00 0.00 C ATOM 586 NZ LYS A 570 -2.026 6.484 14.067 1.00 0.00 N ATOM 0 H LYS A 570 1.071 2.306 12.539 1.00 0.00 H new ATOM 0 HA LYS A 570 2.045 3.120 14.957 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.534 1.606 14.377 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.225 2.539 15.828 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.042 3.811 13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.583 3.634 13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.799 4.945 15.809 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.831 4.987 15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.058 7.087 14.566 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.177 6.148 13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -2.215 7.353 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -2.502 5.682 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -2.387 6.592 15.036 1.00 0.00 H new ATOM 600 N MET A 571 2.717 1.276 16.454 1.00 0.00 N ATOM 601 CA MET A 571 3.202 0.201 17.312 1.00 0.00 C ATOM 602 C MET A 571 2.523 0.247 18.677 1.00 0.00 C ATOM 603 O MET A 571 2.092 1.307 19.130 1.00 0.00 O ATOM 604 CB MET A 571 4.720 0.300 17.481 1.00 0.00 C ATOM 605 CG MET A 571 5.489 0.120 16.182 1.00 0.00 C ATOM 606 SD MET A 571 7.269 -0.001 16.440 1.00 0.00 S ATOM 607 CE MET A 571 7.388 -1.601 17.235 1.00 0.00 C ATOM 0 H MET A 571 3.019 2.209 16.735 1.00 0.00 H new ATOM 0 HA MET A 571 2.958 -0.749 16.836 1.00 0.00 H new ATOM 0 HB2 MET A 571 4.967 1.272 17.908 1.00 0.00 H new ATOM 0 HB3 MET A 571 5.048 -0.455 18.195 1.00 0.00 H new ATOM 0 HG2 MET A 571 5.137 -0.780 15.678 1.00 0.00 H new ATOM 0 HG3 MET A 571 5.278 0.960 15.520 1.00 0.00 H new ATOM 0 HE1 MET A 571 7.866 -1.489 18.208 1.00 0.00 H new ATOM 0 HE2 MET A 571 6.389 -2.017 17.367 1.00 0.00 H new ATOM 0 HE3 MET A 571 7.982 -2.272 16.615 1.00 0.00 H new ATOM 617 N GLU A 572 2.432 -0.909 19.327 1.00 0.00 N ATOM 618 CA GLU A 572 1.804 -1.000 20.640 1.00 0.00 C ATOM 619 C GLU A 572 2.609 -1.906 21.567 1.00 0.00 C ATOM 620 O GLU A 572 2.968 -3.024 21.200 1.00 0.00 O ATOM 621 CB GLU A 572 0.373 -1.525 20.510 1.00 0.00 C ATOM 622 CG GLU A 572 -0.442 -1.394 21.786 1.00 0.00 C ATOM 623 CD GLU A 572 -1.936 -1.407 21.528 1.00 0.00 C ATOM 624 OE1 GLU A 572 -2.511 -2.511 21.434 1.00 0.00 O ATOM 625 OE2 GLU A 572 -2.529 -0.314 21.421 1.00 0.00 O ATOM 0 H GLU A 572 2.785 -1.795 18.966 1.00 0.00 H new ATOM 0 HA GLU A 572 1.778 0.000 21.072 1.00 0.00 H new ATOM 0 HB2 GLU A 572 -0.132 -0.985 19.709 1.00 0.00 H new ATOM 0 HB3 GLU A 572 0.405 -2.574 20.216 1.00 0.00 H new ATOM 0 HG2 GLU A 572 -0.187 -2.211 22.461 1.00 0.00 H new ATOM 0 HG3 GLU A 572 -0.172 -0.467 22.291 1.00 0.00 H new ATOM 632 N ASN A 573 2.888 -1.415 22.770 1.00 0.00 N ATOM 633 CA ASN A 573 3.651 -2.180 23.750 1.00 0.00 C ATOM 634 C ASN A 573 4.995 -2.614 23.174 1.00 0.00 C ATOM 635 O ASN A 573 5.572 -3.614 23.600 1.00 0.00 O ATOM 636 CB ASN A 573 2.856 -3.407 24.200 1.00 0.00 C ATOM 637 CG ASN A 573 3.569 -4.192 25.285 1.00 0.00 C ATOM 638 OD1 ASN A 573 3.938 -5.350 25.088 1.00 0.00 O ATOM 639 ND2 ASN A 573 3.767 -3.562 26.437 1.00 0.00 N ATOM 0 H ASN A 573 2.597 -0.491 23.090 1.00 0.00 H new ATOM 0 HA ASN A 573 3.835 -1.539 24.612 1.00 0.00 H new ATOM 0 HB2 ASN A 573 1.880 -3.090 24.567 1.00 0.00 H new ATOM 0 HB3 ASN A 573 2.679 -4.056 23.343 1.00 0.00 H new ATOM 0 HD21 ASN A 573 4.242 -4.038 27.204 1.00 0.00 H new ATOM 0 HD22 ASN A 573 3.444 -2.602 26.555 1.00 0.00 H new ATOM 646 N GLY A 574 5.489 -1.854 22.201 1.00 0.00 N ATOM 647 CA GLY A 574 6.762 -2.176 21.582 1.00 0.00 C ATOM 648 C GLY A 574 6.617 -3.151 20.431 1.00 0.00 C ATOM 649 O GLY A 574 7.552 -3.350 19.655 1.00 0.00 O ATOM 0 H GLY A 574 5.031 -1.021 21.831 1.00 0.00 H new ATOM 0 HA2 GLY A 574 7.229 -1.260 21.221 1.00 0.00 H new ATOM 0 HA3 GLY A 574 7.430 -2.600 22.332 1.00 0.00 H new ATOM 653 N LYS A 575 5.443 -3.763 20.321 1.00 0.00 N ATOM 654 CA LYS A 575 5.178 -4.725 19.257 1.00 0.00 C ATOM 655 C LYS A 575 4.177 -4.162 18.253 1.00 0.00 C ATOM 656 O LYS A 575 3.178 -3.553 18.633 1.00 0.00 O ATOM 657 CB LYS A 575 4.645 -6.033 19.845 1.00 0.00 C ATOM 658 CG LYS A 575 3.293 -5.890 20.521 1.00 0.00 C ATOM 659 CD LYS A 575 2.723 -7.241 20.920 1.00 0.00 C ATOM 660 CE LYS A 575 1.713 -7.109 22.050 1.00 0.00 C ATOM 661 NZ LYS A 575 2.369 -7.138 23.387 1.00 0.00 N ATOM 0 H LYS A 575 4.659 -3.610 20.956 1.00 0.00 H new ATOM 0 HA LYS A 575 6.116 -4.923 18.738 1.00 0.00 H new ATOM 0 HB2 LYS A 575 4.567 -6.774 19.049 1.00 0.00 H new ATOM 0 HB3 LYS A 575 5.365 -6.416 20.568 1.00 0.00 H new ATOM 0 HG2 LYS A 575 3.392 -5.260 21.405 1.00 0.00 H new ATOM 0 HG3 LYS A 575 2.600 -5.386 19.847 1.00 0.00 H new ATOM 0 HD2 LYS A 575 2.246 -7.705 20.057 1.00 0.00 H new ATOM 0 HD3 LYS A 575 3.533 -7.901 21.230 1.00 0.00 H new ATOM 0 HE2 LYS A 575 1.161 -6.176 21.937 1.00 0.00 H new ATOM 0 HE3 LYS A 575 0.987 -7.919 21.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 1.654 -7.318 24.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 3.083 -7.893 23.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 2.828 -6.223 23.568 1.00 0.00 H new ATOM 675 N SER A 576 4.453 -4.372 16.969 1.00 0.00 N ATOM 676 CA SER A 576 3.578 -3.883 15.910 1.00 0.00 C ATOM 677 C SER A 576 2.221 -4.580 15.961 1.00 0.00 C ATOM 678 O SER A 576 2.104 -5.701 16.457 1.00 0.00 O ATOM 679 CB SER A 576 4.226 -4.104 14.542 1.00 0.00 C ATOM 680 OG SER A 576 5.513 -3.514 14.487 1.00 0.00 O ATOM 0 H SER A 576 5.275 -4.877 16.638 1.00 0.00 H new ATOM 0 HA SER A 576 3.424 -2.815 16.064 1.00 0.00 H new ATOM 0 HB2 SER A 576 4.303 -5.172 14.341 1.00 0.00 H new ATOM 0 HB3 SER A 576 3.593 -3.678 13.763 1.00 0.00 H new ATOM 0 HG SER A 576 5.907 -3.670 13.603 1.00 0.00 H new ATOM 686 N LYS A 577 1.198 -3.908 15.445 1.00 0.00 N ATOM 687 CA LYS A 577 -0.151 -4.461 15.429 1.00 0.00 C ATOM 688 C LYS A 577 -0.756 -4.379 14.031 1.00 0.00 C ATOM 689 O LYS A 577 -1.927 -4.036 13.870 1.00 0.00 O ATOM 690 CB LYS A 577 -1.041 -3.716 16.426 1.00 0.00 C ATOM 691 CG LYS A 577 -0.323 -3.318 17.704 1.00 0.00 C ATOM 692 CD LYS A 577 0.114 -4.537 18.500 1.00 0.00 C ATOM 693 CE LYS A 577 -0.959 -4.971 19.488 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.890 -5.968 18.891 1.00 0.00 N ATOM 0 H LYS A 577 1.277 -2.979 15.032 1.00 0.00 H new ATOM 0 HA LYS A 577 -0.091 -5.510 15.718 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.437 -2.820 15.948 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.894 -4.345 16.679 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.548 -2.711 17.459 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.981 -2.700 18.315 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.336 -5.358 17.818 1.00 0.00 H new ATOM 0 HD3 LYS A 577 1.035 -4.311 19.037 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -0.487 -5.399 20.373 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.523 -4.099 19.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.867 -5.619 18.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.649 -6.111 17.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.805 -6.871 19.400 1.00 0.00 H new ATOM 708 N GLY A 578 0.049 -4.697 13.023 1.00 0.00 N ATOM 709 CA GLY A 578 -0.426 -4.655 11.652 1.00 0.00 C ATOM 710 C GLY A 578 -1.394 -3.514 11.409 1.00 0.00 C ATOM 711 O GLY A 578 -2.494 -3.724 10.897 1.00 0.00 O ATOM 0 H GLY A 578 1.022 -4.983 13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.425 -4.555 10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.914 -5.599 11.411 1.00 0.00 H new ATOM 715 N CYS A 579 -0.987 -2.305 11.779 1.00 0.00 N ATOM 716 CA CYS A 579 -1.828 -1.127 11.601 1.00 0.00 C ATOM 717 C CYS A 579 -0.985 0.095 11.252 1.00 0.00 C ATOM 718 O CYS A 579 0.154 0.225 11.699 1.00 0.00 O ATOM 719 CB CYS A 579 -2.638 -0.857 12.870 1.00 0.00 C ATOM 720 SG CYS A 579 -1.643 -0.764 14.376 1.00 0.00 S ATOM 0 H CYS A 579 -0.080 -2.115 12.204 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.513 -1.321 10.776 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.182 0.080 12.748 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.382 -1.645 12.987 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.403 -0.529 14.063 1.00 0.00 H new ATOM 726 N GLY A 580 -1.553 0.989 10.448 1.00 0.00 N ATOM 727 CA GLY A 580 -0.838 2.188 10.051 1.00 0.00 C ATOM 728 C GLY A 580 -1.723 3.171 9.309 1.00 0.00 C ATOM 729 O GLY A 580 -2.919 2.935 9.139 1.00 0.00 O ATOM 0 H GLY A 580 -2.495 0.904 10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.426 2.672 10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.005 1.912 9.417 1.00 0.00 H new ATOM 733 N VAL A 581 -1.134 4.278 8.867 1.00 0.00 N ATOM 734 CA VAL A 581 -1.877 5.300 8.140 1.00 0.00 C ATOM 735 C VAL A 581 -1.117 5.753 6.898 1.00 0.00 C ATOM 736 O VAL A 581 0.089 5.535 6.781 1.00 0.00 O ATOM 737 CB VAL A 581 -2.162 6.525 9.029 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.327 6.246 9.966 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.918 6.915 9.813 1.00 0.00 C ATOM 0 H VAL A 581 -0.145 4.490 9.000 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.823 4.850 7.839 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.436 7.362 8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.513 7.123 10.586 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.218 6.019 9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.086 5.396 10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.137 7.782 10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.611 6.082 10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.113 7.160 9.120 1.00 0.00 H new ATOM 749 N VAL A 582 -1.830 6.385 5.972 1.00 0.00 N ATOM 750 CA VAL A 582 -1.223 6.871 4.739 1.00 0.00 C ATOM 751 C VAL A 582 -1.914 8.138 4.247 1.00 0.00 C ATOM 752 O VAL A 582 -3.139 8.185 4.128 1.00 0.00 O ATOM 753 CB VAL A 582 -1.279 5.806 3.628 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.727 6.363 2.325 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.517 4.558 4.049 1.00 0.00 C ATOM 0 H VAL A 582 -2.829 6.573 6.052 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.181 7.094 4.967 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.321 5.531 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.775 5.596 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.319 7.225 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.309 6.668 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.567 3.815 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.525 4.815 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.963 4.148 4.955 1.00 0.00 H new ATOM 765 N LYS A 583 -1.121 9.166 3.962 1.00 0.00 N ATOM 766 CA LYS A 583 -1.655 10.434 3.482 1.00 0.00 C ATOM 767 C LYS A 583 -1.290 10.659 2.018 1.00 0.00 C ATOM 768 O LYS A 583 -0.229 10.235 1.561 1.00 0.00 O ATOM 769 CB LYS A 583 -1.125 11.590 4.334 1.00 0.00 C ATOM 770 CG LYS A 583 -2.021 11.941 5.508 1.00 0.00 C ATOM 771 CD LYS A 583 -1.649 11.150 6.751 1.00 0.00 C ATOM 772 CE LYS A 583 -0.612 11.884 7.588 1.00 0.00 C ATOM 773 NZ LYS A 583 -0.702 11.517 9.029 1.00 0.00 N ATOM 0 H LYS A 583 -0.106 9.145 4.056 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.741 10.397 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.135 11.330 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.006 12.471 3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.945 13.008 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -3.060 11.741 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.542 10.971 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -1.259 10.175 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 583 0.386 11.652 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -0.751 12.959 7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -0.529 12.360 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -1.651 11.143 9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 0.010 10.792 9.248 1.00 0.00 H new ATOM 787 N PHE A 584 -2.176 11.329 1.288 1.00 0.00 N ATOM 788 CA PHE A 584 -1.947 11.610 -0.124 1.00 0.00 C ATOM 789 C PHE A 584 -1.996 13.110 -0.395 1.00 0.00 C ATOM 790 O PHE A 584 -2.297 13.903 0.497 1.00 0.00 O ATOM 791 CB PHE A 584 -2.987 10.890 -0.985 1.00 0.00 C ATOM 792 CG PHE A 584 -2.940 9.394 -0.858 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.613 8.751 0.168 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.222 8.631 -1.765 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.570 7.375 0.287 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.176 7.255 -1.651 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.852 6.626 -0.624 1.00 0.00 C ATOM 0 H PHE A 584 -3.059 11.687 1.651 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.954 11.244 -0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.981 11.239 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.834 11.163 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.177 9.332 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.692 9.118 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.098 6.886 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.612 6.672 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.819 5.550 -0.534 1.00 0.00 H new ATOM 807 N GLU A 585 -1.697 13.492 -1.633 1.00 0.00 N ATOM 808 CA GLU A 585 -1.706 14.898 -2.021 1.00 0.00 C ATOM 809 C GLU A 585 -3.134 15.399 -2.219 1.00 0.00 C ATOM 810 O GLU A 585 -3.487 16.491 -1.774 1.00 0.00 O ATOM 811 CB GLU A 585 -0.900 15.101 -3.306 1.00 0.00 C ATOM 812 CG GLU A 585 0.601 14.973 -3.109 1.00 0.00 C ATOM 813 CD GLU A 585 1.394 15.711 -4.171 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.950 15.729 -5.338 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.458 16.271 -3.833 1.00 0.00 O ATOM 0 H GLU A 585 -1.446 12.848 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.246 15.473 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.224 14.371 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.122 16.088 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.869 15.360 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.877 13.919 -3.122 1.00 0.00 H new ATOM 822 N SER A 586 -3.950 14.592 -2.890 1.00 0.00 N ATOM 823 CA SER A 586 -5.338 14.955 -3.151 1.00 0.00 C ATOM 824 C SER A 586 -6.288 14.102 -2.316 1.00 0.00 C ATOM 825 O SER A 586 -5.966 12.987 -1.907 1.00 0.00 O ATOM 826 CB SER A 586 -5.659 14.789 -4.638 1.00 0.00 C ATOM 827 OG SER A 586 -5.391 15.983 -5.354 1.00 0.00 O ATOM 0 H SER A 586 -3.674 13.683 -3.262 1.00 0.00 H new ATOM 0 HA SER A 586 -5.474 16.000 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.068 13.972 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.707 14.516 -4.759 1.00 0.00 H new ATOM 0 HG SER A 586 -5.603 15.851 -6.302 1.00 0.00 H new ATOM 833 N PRO A 587 -7.490 14.639 -2.056 1.00 0.00 N ATOM 834 CA PRO A 587 -8.513 13.945 -1.268 1.00 0.00 C ATOM 835 C PRO A 587 -9.099 12.747 -2.006 1.00 0.00 C ATOM 836 O PRO A 587 -9.452 11.741 -1.392 1.00 0.00 O ATOM 837 CB PRO A 587 -9.584 15.018 -1.054 1.00 0.00 C ATOM 838 CG PRO A 587 -9.412 15.957 -2.198 1.00 0.00 C ATOM 839 CD PRO A 587 -7.942 15.964 -2.512 1.00 0.00 C ATOM 0 HA PRO A 587 -8.108 13.537 -0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.584 14.584 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.449 15.527 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -9.994 15.631 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.760 16.957 -1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.759 16.106 -3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.423 16.768 -1.989 1.00 0.00 H new ATOM 847 N GLU A 588 -9.200 12.862 -3.327 1.00 0.00 N ATOM 848 CA GLU A 588 -9.744 11.787 -4.147 1.00 0.00 C ATOM 849 C GLU A 588 -8.846 10.554 -4.095 1.00 0.00 C ATOM 850 O GLU A 588 -9.328 9.422 -4.077 1.00 0.00 O ATOM 851 CB GLU A 588 -9.905 12.252 -5.596 1.00 0.00 C ATOM 852 CG GLU A 588 -8.604 12.700 -6.240 1.00 0.00 C ATOM 853 CD GLU A 588 -8.800 13.221 -7.650 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.647 14.119 -7.839 1.00 0.00 O ATOM 855 OE2 GLU A 588 -8.104 12.732 -8.565 1.00 0.00 O ATOM 0 H GLU A 588 -8.912 13.688 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.722 11.520 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.331 11.439 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.618 13.076 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.150 13.480 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.906 11.863 -6.260 1.00 0.00 H new ATOM 862 N VAL A 589 -7.537 10.783 -4.071 1.00 0.00 N ATOM 863 CA VAL A 589 -6.571 9.693 -4.020 1.00 0.00 C ATOM 864 C VAL A 589 -6.643 8.957 -2.686 1.00 0.00 C ATOM 865 O VAL A 589 -6.467 7.740 -2.627 1.00 0.00 O ATOM 866 CB VAL A 589 -5.134 10.205 -4.234 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.155 9.043 -4.285 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.050 11.040 -5.502 1.00 0.00 C ATOM 0 H VAL A 589 -7.121 11.714 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.827 9.005 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.863 10.839 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.145 9.424 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.197 8.490 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.420 8.380 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.028 11.394 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.340 10.431 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.722 11.895 -5.420 1.00 0.00 H new ATOM 878 N ALA A 590 -6.903 9.703 -1.618 1.00 0.00 N ATOM 879 CA ALA A 590 -7.001 9.121 -0.285 1.00 0.00 C ATOM 880 C ALA A 590 -8.082 8.046 -0.234 1.00 0.00 C ATOM 881 O ALA A 590 -7.829 6.920 0.191 1.00 0.00 O ATOM 882 CB ALA A 590 -7.283 10.205 0.745 1.00 0.00 C ATOM 0 H ALA A 590 -7.050 10.712 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.046 8.651 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.354 9.756 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.474 10.936 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.223 10.701 0.503 1.00 0.00 H new ATOM 888 N GLU A 591 -9.287 8.403 -0.668 1.00 0.00 N ATOM 889 CA GLU A 591 -10.405 7.468 -0.669 1.00 0.00 C ATOM 890 C GLU A 591 -10.255 6.441 -1.787 1.00 0.00 C ATOM 891 O GLU A 591 -10.746 5.317 -1.682 1.00 0.00 O ATOM 892 CB GLU A 591 -11.728 8.221 -0.827 1.00 0.00 C ATOM 893 CG GLU A 591 -12.133 8.442 -2.275 1.00 0.00 C ATOM 894 CD GLU A 591 -13.074 9.620 -2.444 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.797 10.688 -1.860 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.086 9.472 -3.160 1.00 0.00 O ATOM 0 H GLU A 591 -9.513 9.332 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.406 6.942 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.516 7.665 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.648 9.187 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.240 8.606 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.613 7.541 -2.656 1.00 0.00 H new ATOM 903 N ARG A 592 -9.574 6.837 -2.858 1.00 0.00 N ATOM 904 CA ARG A 592 -9.361 5.952 -3.997 1.00 0.00 C ATOM 905 C ARG A 592 -8.583 4.707 -3.581 1.00 0.00 C ATOM 906 O ARG A 592 -8.940 3.588 -3.949 1.00 0.00 O ATOM 907 CB ARG A 592 -8.609 6.688 -5.108 1.00 0.00 C ATOM 908 CG ARG A 592 -8.226 5.798 -6.278 1.00 0.00 C ATOM 909 CD ARG A 592 -7.367 6.542 -7.288 1.00 0.00 C ATOM 910 NE ARG A 592 -8.173 7.217 -8.302 1.00 0.00 N ATOM 911 CZ ARG A 592 -8.947 6.576 -9.171 1.00 0.00 C ATOM 912 NH1 ARG A 592 -9.019 5.252 -9.150 1.00 0.00 N ATOM 913 NH2 ARG A 592 -9.651 7.260 -10.064 1.00 0.00 N ATOM 0 H ARG A 592 -9.161 7.764 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.337 5.642 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.229 7.507 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.706 7.133 -4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.685 4.926 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.128 5.430 -6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.750 7.275 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.688 5.840 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.140 8.236 -8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -8.479 4.723 -8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -9.614 4.763 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -9.598 8.278 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -10.245 6.767 -10.731 1.00 0.00 H new ATOM 927 N ALA A 593 -7.519 4.911 -2.811 1.00 0.00 N ATOM 928 CA ALA A 593 -6.692 3.805 -2.343 1.00 0.00 C ATOM 929 C ALA A 593 -7.498 2.847 -1.472 1.00 0.00 C ATOM 930 O ALA A 593 -7.222 1.648 -1.433 1.00 0.00 O ATOM 931 CB ALA A 593 -5.489 4.334 -1.576 1.00 0.00 C ATOM 0 H ALA A 593 -7.210 5.831 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.340 3.253 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.880 3.498 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.893 4.972 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.830 4.911 -0.717 1.00 0.00 H new ATOM 937 N CYS A 594 -8.492 3.384 -0.774 1.00 0.00 N ATOM 938 CA CYS A 594 -9.338 2.577 0.098 1.00 0.00 C ATOM 939 C CYS A 594 -10.188 1.607 -0.715 1.00 0.00 C ATOM 940 O CYS A 594 -10.680 0.607 -0.191 1.00 0.00 O ATOM 941 CB CYS A 594 -10.238 3.476 0.946 1.00 0.00 C ATOM 942 SG CYS A 594 -9.386 4.292 2.317 1.00 0.00 S ATOM 0 H CYS A 594 -8.732 4.375 -0.795 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.690 1.999 0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.682 4.237 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.057 2.878 1.346 1.00 0.00 H new ATOM 0 HG CYS A 594 -9.815 5.514 2.429 1.00 0.00 H new ATOM 948 N ARG A 595 -10.359 1.909 -1.998 1.00 0.00 N ATOM 949 CA ARG A 595 -11.153 1.066 -2.883 1.00 0.00 C ATOM 950 C ARG A 595 -10.273 0.038 -3.589 1.00 0.00 C ATOM 951 O ARG A 595 -10.682 -1.103 -3.800 1.00 0.00 O ATOM 952 CB ARG A 595 -11.886 1.922 -3.917 1.00 0.00 C ATOM 953 CG ARG A 595 -12.968 2.806 -3.320 1.00 0.00 C ATOM 954 CD ARG A 595 -13.368 3.920 -4.274 1.00 0.00 C ATOM 955 NE ARG A 595 -14.445 3.511 -5.173 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.955 4.297 -6.114 1.00 0.00 C ATOM 957 NH1 ARG A 595 -14.489 5.527 -6.279 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.933 3.852 -6.893 1.00 0.00 N ATOM 0 H ARG A 595 -9.958 2.732 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.886 0.535 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.161 2.550 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.335 1.268 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.842 2.201 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.612 3.237 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.685 4.791 -3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.501 4.223 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.826 2.570 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -13.737 5.872 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -14.883 6.129 -7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.293 2.906 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -16.324 4.456 -7.616 1.00 0.00 H new ATOM 972 N MET A 596 -9.064 0.453 -3.951 1.00 0.00 N ATOM 973 CA MET A 596 -8.126 -0.432 -4.633 1.00 0.00 C ATOM 974 C MET A 596 -7.365 -1.295 -3.630 1.00 0.00 C ATOM 975 O MET A 596 -7.345 -2.520 -3.742 1.00 0.00 O ATOM 976 CB MET A 596 -7.140 0.383 -5.472 1.00 0.00 C ATOM 977 CG MET A 596 -7.815 1.340 -6.442 1.00 0.00 C ATOM 978 SD MET A 596 -6.828 1.641 -7.921 1.00 0.00 S ATOM 979 CE MET A 596 -5.473 2.592 -7.237 1.00 0.00 C ATOM 0 H MET A 596 -8.711 1.395 -3.784 1.00 0.00 H new ATOM 0 HA MET A 596 -8.697 -1.087 -5.291 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.491 0.951 -4.806 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.501 -0.300 -6.033 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.784 0.933 -6.733 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.006 2.288 -5.938 1.00 0.00 H new ATOM 0 HE1 MET A 596 -5.175 3.363 -7.947 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.791 3.060 -6.305 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.628 1.932 -7.041 1.00 0.00 H new ATOM 989 N MET A 597 -6.742 -0.646 -2.652 1.00 0.00 N ATOM 990 CA MET A 597 -5.982 -1.355 -1.629 1.00 0.00 C ATOM 991 C MET A 597 -6.881 -2.302 -0.841 1.00 0.00 C ATOM 992 O MET A 597 -6.667 -3.513 -0.833 1.00 0.00 O ATOM 993 CB MET A 597 -5.312 -0.360 -0.680 1.00 0.00 C ATOM 994 CG MET A 597 -4.429 0.655 -1.387 1.00 0.00 C ATOM 995 SD MET A 597 -3.536 -0.055 -2.784 1.00 0.00 S ATOM 996 CE MET A 597 -2.055 -0.652 -1.971 1.00 0.00 C ATOM 0 H MET A 597 -6.748 0.368 -2.546 1.00 0.00 H new ATOM 0 HA MET A 597 -5.213 -1.945 -2.127 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.082 0.169 -0.119 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.711 -0.910 0.044 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.044 1.484 -1.737 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.714 1.067 -0.675 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.207 -0.030 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.190 -0.606 -0.890 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.866 -1.683 -2.270 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.888 -1.741 -0.179 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.819 -2.535 0.613 1.00 0.00 C ATOM 1008 C ASN A 598 -9.258 -3.781 -0.151 1.00 0.00 C ATOM 1009 O ASN A 598 -9.892 -3.686 -1.202 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.043 -1.698 0.992 1.00 0.00 C ATOM 1011 CG ASN A 598 -10.839 -2.317 2.125 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.718 -3.510 2.404 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.658 -1.506 2.783 1.00 0.00 N ATOM 0 H ASN A 598 -8.080 -0.739 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.307 -2.849 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.720 -0.698 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.686 -1.584 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.220 -1.865 3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.726 -0.524 2.517 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.917 -4.949 0.385 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.285 -6.196 -0.259 1.00 0.00 C ATOM 1022 C GLY A 599 -8.085 -6.934 -0.820 1.00 0.00 C ATOM 1023 O GLY A 599 -8.235 -7.952 -1.496 1.00 0.00 O ATOM 0 H GLY A 599 -8.393 -5.054 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.798 -6.835 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -9.991 -5.991 -1.064 1.00 0.00 H new ATOM 1027 N MET A 600 -6.892 -6.420 -0.540 1.00 0.00 N ATOM 1028 CA MET A 600 -5.662 -7.037 -1.023 1.00 0.00 C ATOM 1029 C MET A 600 -5.032 -7.911 0.057 1.00 0.00 C ATOM 1030 O MET A 600 -4.670 -7.426 1.130 1.00 0.00 O ATOM 1031 CB MET A 600 -4.669 -5.963 -1.470 1.00 0.00 C ATOM 1032 CG MET A 600 -4.055 -5.186 -0.318 1.00 0.00 C ATOM 1033 SD MET A 600 -3.205 -3.692 -0.863 1.00 0.00 S ATOM 1034 CE MET A 600 -2.167 -3.355 0.558 1.00 0.00 C ATOM 0 H MET A 600 -6.751 -5.578 0.019 1.00 0.00 H new ATOM 0 HA MET A 600 -5.912 -7.668 -1.876 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.872 -6.434 -2.046 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.176 -5.267 -2.138 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.838 -4.916 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.351 -5.827 0.213 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.198 -2.986 0.222 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.643 -2.602 1.186 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.027 -4.271 1.132 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.905 -9.201 -0.231 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.318 -10.143 0.714 1.00 0.00 C ATOM 1046 C LYS A 601 -2.795 -10.133 0.618 1.00 0.00 C ATOM 1047 O LYS A 601 -2.219 -10.683 -0.321 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.847 -11.555 0.454 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.262 -11.777 0.957 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.553 -13.253 1.173 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.565 -13.465 2.288 1.00 0.00 C ATOM 1052 NZ LYS A 601 -6.905 -13.611 3.615 1.00 0.00 N ATOM 0 H LYS A 601 -5.201 -9.619 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.603 -9.835 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.816 -11.754 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.183 -12.276 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.405 -11.236 1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.973 -11.366 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.932 -13.689 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.628 -13.775 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -8.256 -12.622 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.157 -14.355 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -7.606 -13.466 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -6.500 -14.565 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -6.147 -12.904 3.706 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.150 -9.507 1.596 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.693 -9.427 1.622 1.00 0.00 C ATOM 1068 C LEU A 602 -0.087 -10.715 2.171 1.00 0.00 C ATOM 1069 O LEU A 602 -0.007 -10.907 3.384 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.244 -8.236 2.471 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.876 -6.888 2.124 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.132 -5.756 2.816 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.890 -6.677 0.617 1.00 0.00 C ATOM 0 H LEU A 602 -2.612 -9.048 2.381 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.342 -9.289 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.461 -8.458 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.838 -8.141 2.383 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.906 -6.889 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.596 -4.804 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.175 -5.899 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.909 -5.753 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.343 -5.712 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.132 -6.697 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.468 -7.471 0.144 1.00 0.00 H new ATOM 1085 N SER A 603 0.339 -11.593 1.269 1.00 0.00 N ATOM 1086 CA SER A 603 0.937 -12.864 1.663 1.00 0.00 C ATOM 1087 C SER A 603 -0.097 -13.768 2.326 1.00 0.00 C ATOM 1088 O SER A 603 0.242 -14.620 3.146 1.00 0.00 O ATOM 1089 CB SER A 603 2.110 -12.626 2.616 1.00 0.00 C ATOM 1090 OG SER A 603 3.039 -13.695 2.558 1.00 0.00 O ATOM 0 H SER A 603 0.281 -11.448 0.261 1.00 0.00 H new ATOM 0 HA SER A 603 1.304 -13.359 0.764 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.609 -11.692 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.739 -12.518 3.635 1.00 0.00 H new ATOM 0 HG SER A 603 2.567 -14.545 2.679 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.362 -13.575 1.965 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.427 -14.380 2.534 1.00 0.00 C ATOM 1098 C GLY A 604 -3.088 -13.710 3.723 1.00 0.00 C ATOM 1099 O GLY A 604 -3.711 -14.374 4.551 1.00 0.00 O ATOM 0 H GLY A 604 -1.668 -12.876 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.177 -14.578 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.024 -15.345 2.842 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.950 -12.391 3.809 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.536 -11.632 4.907 1.00 0.00 C ATOM 1105 C ARG A 605 -4.395 -10.487 4.378 1.00 0.00 C ATOM 1106 O ARG A 605 -3.887 -9.549 3.764 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.438 -11.081 5.817 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.656 -12.159 6.549 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.028 -11.622 7.826 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.134 -12.596 8.447 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.335 -12.478 9.685 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -0.003 -11.434 10.429 1.00 0.00 N ATOM 1113 NH2 ARG A 605 1.144 -13.406 10.180 1.00 0.00 N ATOM 0 H ARG A 605 -2.438 -11.826 3.132 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.172 -12.305 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.748 -10.485 5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.887 -10.410 6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.318 -12.990 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.876 -12.551 5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.473 -10.711 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.814 -11.351 8.530 1.00 0.00 H new ATOM 0 HE ARG A 605 0.146 -13.411 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -0.625 -10.719 10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 605 0.358 -11.346 11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 605 1.406 -14.210 9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 605 1.504 -13.315 11.130 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.700 -10.571 4.621 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.629 -9.542 4.168 1.00 0.00 C ATOM 1129 C GLU A 606 -6.547 -8.305 5.058 1.00 0.00 C ATOM 1130 O GLU A 606 -6.345 -8.411 6.268 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.059 -10.084 4.158 1.00 0.00 C ATOM 1132 CG GLU A 606 -8.926 -9.496 3.057 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.393 -9.444 3.435 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.895 -10.433 4.009 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.040 -8.412 3.156 1.00 0.00 O ATOM 0 H GLU A 606 -6.137 -11.340 5.129 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.350 -9.257 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.027 -11.168 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.523 -9.879 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.579 -8.489 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.809 -10.091 2.151 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.706 -7.135 4.451 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.652 -5.878 5.187 1.00 0.00 C ATOM 1144 C ILE A 607 -7.870 -5.012 4.888 1.00 0.00 C ATOM 1145 O ILE A 607 -8.483 -5.129 3.827 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.376 -5.084 4.851 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.074 -5.171 3.354 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.200 -5.601 5.665 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.776 -4.502 2.959 1.00 0.00 C ATOM 0 H ILE A 607 -6.873 -7.031 3.450 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.643 -6.133 6.247 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.539 -4.038 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.037 -6.220 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -5.893 -4.713 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.306 -5.030 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.417 -5.491 6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.033 -6.654 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.627 -4.603 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.817 -3.445 3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -2.948 -4.975 3.486 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.216 -4.141 5.830 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.360 -3.252 5.667 1.00 0.00 C ATOM 1163 C ASP A 608 -8.911 -1.796 5.599 1.00 0.00 C ATOM 1164 O ASP A 608 -8.677 -1.159 6.626 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.348 -3.441 6.819 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.377 -4.516 6.529 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.347 -4.227 5.797 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.212 -5.646 7.033 1.00 0.00 O ATOM 0 H ASP A 608 -7.720 -4.032 6.715 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.855 -3.505 4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.800 -3.701 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.858 -2.498 7.015 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.792 -1.275 4.381 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.371 0.106 4.179 1.00 0.00 C ATOM 1175 C VAL A 609 -9.573 1.027 4.000 1.00 0.00 C ATOM 1176 O VAL A 609 -10.320 0.908 3.029 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.451 0.238 2.951 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.864 1.639 2.871 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.349 -0.809 2.997 1.00 0.00 C ATOM 0 H VAL A 609 -8.981 -1.789 3.520 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.820 0.402 5.071 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.045 0.068 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.217 1.713 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.671 2.367 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.283 1.842 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.708 -0.701 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.755 -0.673 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -6.793 -1.805 3.001 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.754 1.944 4.945 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.867 2.885 4.893 1.00 0.00 C ATOM 1191 C ARG A 610 -10.387 4.309 5.159 1.00 0.00 C ATOM 1192 O ARG A 610 -9.233 4.527 5.528 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.939 2.497 5.913 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.642 1.189 5.590 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.848 -0.008 6.090 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.707 -1.154 6.376 1.00 0.00 N ATOM 1197 CZ ARG A 610 -13.629 -1.160 7.332 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -13.811 -0.088 8.089 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -14.372 -2.242 7.531 1.00 0.00 N ATOM 0 H ARG A 610 -9.145 2.055 5.755 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.297 2.846 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.480 2.419 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.680 3.294 5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.633 1.185 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.785 1.108 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -11.106 -0.289 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.302 0.270 6.992 1.00 0.00 H new ATOM 0 HE ARG A 610 -12.593 -1.995 5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -13.242 0.745 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.520 -0.096 8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -14.235 -3.069 6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -15.080 -2.246 8.265 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.281 5.274 4.969 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.949 6.676 5.190 1.00 0.00 C ATOM 1215 C ILE A 611 -10.915 7.006 6.678 1.00 0.00 C ATOM 1216 O ILE A 611 -11.850 6.692 7.415 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.955 7.609 4.491 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.804 7.512 2.972 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.759 9.044 4.958 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.554 8.180 2.445 1.00 0.00 C ATOM 0 H ILE A 611 -12.240 5.111 4.663 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.959 6.837 4.763 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.964 7.295 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.794 6.461 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.675 7.965 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.477 9.692 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.912 9.100 6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.747 9.370 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.513 8.072 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.571 9.239 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.676 7.712 2.890 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.833 7.642 7.113 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.679 8.017 8.514 1.00 0.00 C ATOM 1234 C ASP A 612 -9.856 9.521 8.696 1.00 0.00 C ATOM 1235 O ASP A 612 -8.929 10.298 8.465 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.305 7.587 9.031 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.297 7.355 10.529 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.734 8.259 11.271 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.852 6.270 10.959 1.00 0.00 O ATOM 0 H ASP A 612 -9.050 7.909 6.516 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.451 7.506 9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -7.999 6.673 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.570 8.352 8.781 1.00 0.00 H new ATOM 1244 N ARG A 613 -11.053 9.925 9.110 1.00 0.00 N ATOM 1245 CA ARG A 613 -11.352 11.336 9.320 1.00 0.00 C ATOM 1246 C ARG A 613 -10.742 11.832 10.628 1.00 0.00 C ATOM 1247 O ARG A 613 -10.387 11.039 11.499 1.00 0.00 O ATOM 1248 CB ARG A 613 -12.865 11.562 9.333 1.00 0.00 C ATOM 1249 CG ARG A 613 -13.525 11.344 7.982 1.00 0.00 C ATOM 1250 CD ARG A 613 -12.858 12.173 6.895 1.00 0.00 C ATOM 1251 NE ARG A 613 -13.789 12.527 5.828 1.00 0.00 N ATOM 1252 CZ ARG A 613 -13.496 13.376 4.849 1.00 0.00 C ATOM 1253 NH1 ARG A 613 -12.304 13.954 4.803 1.00 0.00 N ATOM 1254 NH2 ARG A 613 -14.396 13.648 3.913 1.00 0.00 N ATOM 0 H ARG A 613 -11.831 9.295 9.306 1.00 0.00 H new ATOM 0 HA ARG A 613 -10.914 11.901 8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 613 -13.318 10.890 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 613 -13.069 12.579 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 613 -13.475 10.288 7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 613 -14.581 11.607 8.045 1.00 0.00 H new ATOM 0 HD2 ARG A 613 -12.447 13.082 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 613 -12.021 11.615 6.475 1.00 0.00 H new ATOM 0 HE ARG A 613 -14.715 12.099 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 613 -11.609 13.747 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 613 -12.082 14.605 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 613 -15.314 13.205 3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 613 -14.170 14.300 3.162 1.00 0.00 H new ATOM 1268 N ASN A 614 -10.623 13.150 10.757 1.00 0.00 N ATOM 1269 CA ASN A 614 -10.055 13.752 11.958 1.00 0.00 C ATOM 1270 C ASN A 614 -8.918 12.897 12.509 1.00 0.00 C ATOM 1271 O ASN A 614 -8.881 12.587 13.699 1.00 0.00 O ATOM 1272 CB ASN A 614 -11.137 13.931 13.025 1.00 0.00 C ATOM 1273 CG ASN A 614 -11.961 15.185 12.808 1.00 0.00 C ATOM 1274 OD1 ASN A 614 -11.423 16.291 12.738 1.00 0.00 O ATOM 1275 ND2 ASN A 614 -13.274 15.019 12.700 1.00 0.00 N ATOM 0 H ASN A 614 -10.912 13.821 10.045 1.00 0.00 H new ATOM 0 HA ASN A 614 -9.654 14.729 11.690 1.00 0.00 H new ATOM 0 HB2 ASN A 614 -11.795 13.062 13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 614 -10.670 13.972 14.009 1.00 0.00 H new ATOM 0 HD21 ASN A 614 -13.880 15.826 12.553 1.00 0.00 H new ATOM 0 HD22 ASN A 614 -13.677 14.084 12.764 1.00 0.00 H new ATOM 1282 N ALA A 615 -7.991 12.520 11.634 1.00 0.00 N ATOM 1283 CA ALA A 615 -6.851 11.703 12.033 1.00 0.00 C ATOM 1284 C ALA A 615 -5.904 12.487 12.936 1.00 0.00 C ATOM 1285 O ALA A 615 -5.523 12.017 14.008 1.00 0.00 O ATOM 1286 CB ALA A 615 -6.112 11.193 10.805 1.00 0.00 C ATOM 0 H ALA A 615 -8.007 12.767 10.645 1.00 0.00 H new ATOM 0 HA ALA A 615 -7.226 10.849 12.598 1.00 0.00 H new ATOM 0 HB1 ALA A 615 -5.263 10.585 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 615 -6.787 10.589 10.199 1.00 0.00 H new ATOM 0 HB3 ALA A 615 -5.755 12.039 10.218 1.00 0.00 H new ATOM 1292 N SER A 616 -5.527 13.682 12.495 1.00 0.00 N ATOM 1293 CA SER A 616 -4.620 14.529 13.261 1.00 0.00 C ATOM 1294 C SER A 616 -5.297 15.841 13.646 1.00 0.00 C ATOM 1295 O SER A 616 -6.381 16.159 13.160 1.00 0.00 O ATOM 1296 CB SER A 616 -3.351 14.813 12.455 1.00 0.00 C ATOM 1297 OG SER A 616 -3.571 15.837 11.500 1.00 0.00 O ATOM 0 H SER A 616 -5.835 14.086 11.611 1.00 0.00 H new ATOM 0 HA SER A 616 -4.350 13.998 14.174 1.00 0.00 H new ATOM 0 HB2 SER A 616 -2.547 15.107 13.129 1.00 0.00 H new ATOM 0 HB3 SER A 616 -3.027 13.904 11.949 1.00 0.00 H new ATOM 0 HG SER A 616 -2.744 16.001 10.999 1.00 0.00 H new ATOM 1303 N GLY A 617 -4.646 16.600 14.523 1.00 0.00 N ATOM 1304 CA GLY A 617 -5.199 17.869 14.959 1.00 0.00 C ATOM 1305 C GLY A 617 -5.406 17.927 16.459 1.00 0.00 C ATOM 1306 O GLY A 617 -6.496 17.664 16.968 1.00 0.00 O ATOM 0 H GLY A 617 -3.746 16.359 14.939 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -4.532 18.676 14.656 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -6.152 18.038 14.457 1.00 0.00 H new ATOM 1310 N PRO A 618 -4.340 18.276 17.195 1.00 0.00 N ATOM 1311 CA PRO A 618 -4.384 18.374 18.656 1.00 0.00 C ATOM 1312 C PRO A 618 -5.222 19.555 19.133 1.00 0.00 C ATOM 1313 O PRO A 618 -5.850 19.496 20.191 1.00 0.00 O ATOM 1314 CB PRO A 618 -2.916 18.569 19.043 1.00 0.00 C ATOM 1315 CG PRO A 618 -2.285 19.179 17.840 1.00 0.00 C ATOM 1316 CD PRO A 618 -3.009 18.602 16.655 1.00 0.00 C ATOM 0 HA PRO A 618 -4.846 17.497 19.109 1.00 0.00 H new ATOM 0 HB2 PRO A 618 -2.819 19.218 19.913 1.00 0.00 H new ATOM 0 HB3 PRO A 618 -2.445 17.620 19.299 1.00 0.00 H new ATOM 0 HG2 PRO A 618 -2.374 20.265 17.861 1.00 0.00 H new ATOM 0 HG3 PRO A 618 -1.221 18.947 17.798 1.00 0.00 H new ATOM 0 HD2 PRO A 618 -3.072 19.317 15.835 1.00 0.00 H new ATOM 0 HD3 PRO A 618 -2.504 17.717 16.268 1.00 0.00 H new ATOM 1324 N SER A 619 -5.228 20.626 18.347 1.00 0.00 N ATOM 1325 CA SER A 619 -5.987 21.823 18.691 1.00 0.00 C ATOM 1326 C SER A 619 -7.023 22.137 17.615 1.00 0.00 C ATOM 1327 O SER A 619 -6.685 22.621 16.535 1.00 0.00 O ATOM 1328 CB SER A 619 -5.046 23.015 18.872 1.00 0.00 C ATOM 1329 OG SER A 619 -5.774 24.209 19.100 1.00 0.00 O ATOM 0 H SER A 619 -4.716 20.690 17.467 1.00 0.00 H new ATOM 0 HA SER A 619 -6.508 21.635 19.630 1.00 0.00 H new ATOM 0 HB2 SER A 619 -4.375 22.829 19.711 1.00 0.00 H new ATOM 0 HB3 SER A 619 -4.423 23.129 17.985 1.00 0.00 H new ATOM 0 HG SER A 619 -5.150 24.956 19.214 1.00 0.00 H new ATOM 1335 N SER A 620 -8.287 21.858 17.920 1.00 0.00 N ATOM 1336 CA SER A 620 -9.373 22.106 16.979 1.00 0.00 C ATOM 1337 C SER A 620 -10.193 23.320 17.405 1.00 0.00 C ATOM 1338 O SER A 620 -11.233 23.186 18.049 1.00 0.00 O ATOM 1339 CB SER A 620 -10.277 20.877 16.875 1.00 0.00 C ATOM 1340 OG SER A 620 -10.920 20.610 18.109 1.00 0.00 O ATOM 0 H SER A 620 -8.584 21.460 18.811 1.00 0.00 H new ATOM 0 HA SER A 620 -8.935 22.309 16.002 1.00 0.00 H new ATOM 0 HB2 SER A 620 -11.025 21.037 16.099 1.00 0.00 H new ATOM 0 HB3 SER A 620 -9.686 20.012 16.575 1.00 0.00 H new ATOM 0 HG SER A 620 -11.355 21.426 18.435 1.00 0.00 H new ATOM 1346 N GLY A 621 -9.717 24.506 17.040 1.00 0.00 N ATOM 1347 CA GLY A 621 -10.417 25.728 17.392 1.00 0.00 C ATOM 1348 C GLY A 621 -10.856 25.746 18.843 1.00 0.00 C ATOM 1349 O GLY A 621 -11.234 26.792 19.371 1.00 0.00 O ATOM 0 H GLY A 621 -8.859 24.643 16.506 1.00 0.00 H new ATOM 0 HA2 GLY A 621 -9.768 26.583 17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 621 -11.290 25.841 16.750 1.00 0.00 H new TER 1353 GLY A 621