USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -51:sc= -1.93! USER MOD Set 1.2: A 605 GLN : amide:sc= -3.51! C(o=-5.4!,f=-5.2!) USER MOD Set 2.1: A 576 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Set 2.2: A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 530 GLN :FLIP amide:sc= -0.0362 F(o=-1.5,f=-0.036) USER MOD Single : A 531 HIS :FLIP no HE2:sc= -0.632 F(o=-1.3,f=-0.63) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -163:sc= -0.0606 (180deg=-0.363) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 550 THR OG1 : rot 118:sc= 0.787 USER MOD Single : A 552 TYR OH : rot 130:sc= 0 USER MOD Single : A 553 TYR OH : rot 67:sc= 1.21 USER MOD Single : A 556 CYS SG : rot 180:sc= 0 USER MOD Single : A 558 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00214) USER MOD Single : A 560 MET CE :methyl 144:sc= -0.777 (180deg=-1.83!) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN :FLIP amide:sc= -0.183 F(o=-0.92,f=-0.18) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 569 TYR OH : rot 130:sc= 0 USER MOD Single : A 571 SER OG : rot 104:sc= 1.23 USER MOD Single : A 573 ASN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 582 HIS : no HD1:sc= 0.485 K(o=0.49,f=-7.6!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 165:sc= -0.0518 (180deg=-0.383) USER MOD Single : A 608 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.12) USER MOD Single : A 622 THR OG1 : rot 70:sc= 0.947 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 -10.933 -17.850 9.192 1.00 0.00 N ATOM 2 CA ARG A 516 -10.497 -17.690 7.785 1.00 0.00 C ATOM 3 C ARG A 516 -9.834 -16.330 7.597 1.00 0.00 C ATOM 4 O ARG A 516 -10.127 -15.385 8.328 1.00 0.00 O ATOM 5 CB ARG A 516 -11.699 -17.831 6.838 1.00 0.00 C ATOM 6 CG ARG A 516 -11.342 -17.709 5.363 1.00 0.00 C ATOM 7 CD ARG A 516 -12.574 -17.797 4.474 1.00 0.00 C ATOM 8 NE ARG A 516 -13.205 -19.115 4.529 1.00 0.00 N ATOM 9 CZ ARG A 516 -14.396 -19.397 4.002 1.00 0.00 C ATOM 10 NH1 ARG A 516 -15.086 -18.459 3.358 1.00 0.00 N ATOM 11 NH2 ARG A 516 -14.890 -20.624 4.108 1.00 0.00 N ATOM 0 HA ARG A 516 -9.774 -18.470 7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 516 -12.171 -18.799 7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 516 -12.436 -17.068 7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 516 -10.835 -16.760 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 516 -10.641 -18.499 5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 516 -13.295 -17.039 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 516 -12.293 -17.574 3.445 1.00 0.00 H new ATOM 0 HE ARG A 516 -12.702 -19.866 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 516 -14.704 -17.518 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 516 -15.997 -18.681 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 516 -14.358 -21.348 4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 516 -15.801 -20.843 3.706 1.00 0.00 H new ATOM 27 N ARG A 517 -8.925 -16.237 6.638 1.00 0.00 N ATOM 28 CA ARG A 517 -8.259 -14.978 6.346 1.00 0.00 C ATOM 29 C ARG A 517 -8.936 -14.282 5.175 1.00 0.00 C ATOM 30 O ARG A 517 -9.295 -14.922 4.184 1.00 0.00 O ATOM 31 CB ARG A 517 -6.791 -15.214 6.013 1.00 0.00 C ATOM 32 CG ARG A 517 -6.042 -15.981 7.083 1.00 0.00 C ATOM 33 CD ARG A 517 -4.598 -16.195 6.684 1.00 0.00 C ATOM 34 NE ARG A 517 -3.897 -17.072 7.617 1.00 0.00 N ATOM 35 CZ ARG A 517 -2.826 -17.798 7.298 1.00 0.00 C ATOM 36 NH1 ARG A 517 -2.317 -17.734 6.074 1.00 0.00 N ATOM 37 NH2 ARG A 517 -2.264 -18.588 8.203 1.00 0.00 N ATOM 0 H ARG A 517 -8.632 -17.017 6.050 1.00 0.00 H new ATOM 0 HA ARG A 517 -8.327 -14.345 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 517 -6.724 -15.760 5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 517 -6.303 -14.252 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 517 -6.086 -15.435 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 517 -6.524 -16.944 7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 517 -4.558 -16.625 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 517 -4.088 -15.233 6.638 1.00 0.00 H new ATOM 0 HE ARG A 517 -4.249 -17.133 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 517 -2.746 -17.128 5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 517 -1.497 -18.291 5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 517 -2.652 -18.641 9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 517 -1.444 -19.143 7.957 1.00 0.00 H new ATOM 51 N ARG A 518 -9.116 -12.980 5.291 1.00 0.00 N ATOM 52 CA ARG A 518 -9.657 -12.199 4.196 1.00 0.00 C ATOM 53 C ARG A 518 -8.531 -11.848 3.249 1.00 0.00 C ATOM 54 O ARG A 518 -7.620 -11.103 3.600 1.00 0.00 O ATOM 55 CB ARG A 518 -10.357 -10.933 4.713 1.00 0.00 C ATOM 56 CG ARG A 518 -11.189 -10.199 3.665 1.00 0.00 C ATOM 57 CD ARG A 518 -10.339 -9.373 2.705 1.00 0.00 C ATOM 58 NE ARG A 518 -9.571 -8.335 3.394 1.00 0.00 N ATOM 59 CZ ARG A 518 -9.045 -7.268 2.793 1.00 0.00 C ATOM 60 NH1 ARG A 518 -9.180 -7.103 1.485 1.00 0.00 N ATOM 61 NH2 ARG A 518 -8.377 -6.372 3.503 1.00 0.00 N ATOM 0 H ARG A 518 -8.896 -12.443 6.130 1.00 0.00 H new ATOM 0 HA ARG A 518 -10.408 -12.786 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -11.004 -11.205 5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -9.603 -10.250 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -11.770 -10.925 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -11.901 -9.544 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -9.656 -10.032 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -10.984 -8.909 1.959 1.00 0.00 H new ATOM 0 HE ARG A 518 -9.429 -8.435 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -9.688 -7.794 0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -8.776 -6.285 1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -8.265 -6.499 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -7.974 -5.555 3.044 1.00 0.00 H new ATOM 75 N ILE A 519 -8.592 -12.393 2.054 1.00 0.00 N ATOM 76 CA ILE A 519 -7.529 -12.208 1.089 1.00 0.00 C ATOM 77 C ILE A 519 -8.007 -11.330 -0.050 1.00 0.00 C ATOM 78 O ILE A 519 -9.158 -11.423 -0.478 1.00 0.00 O ATOM 79 CB ILE A 519 -7.039 -13.553 0.520 1.00 0.00 C ATOM 80 CG1 ILE A 519 -7.018 -14.616 1.625 1.00 0.00 C ATOM 81 CG2 ILE A 519 -5.655 -13.392 -0.102 1.00 0.00 C ATOM 82 CD1 ILE A 519 -6.378 -15.924 1.212 1.00 0.00 C ATOM 0 H ILE A 519 -9.367 -12.969 1.726 1.00 0.00 H new ATOM 0 HA ILE A 519 -6.697 -11.729 1.605 1.00 0.00 H new ATOM 0 HB ILE A 519 -7.727 -13.879 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 519 -6.483 -14.218 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 519 -8.041 -14.810 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 519 -5.321 -14.350 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 519 -5.701 -12.660 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 519 -4.952 -13.050 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 519 -6.403 -16.622 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 519 -6.926 -16.347 0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 519 -5.343 -15.746 0.919 1.00 0.00 H new ATOM 94 N ALA A 520 -7.130 -10.477 -0.530 1.00 0.00 N ATOM 95 CA ALA A 520 -7.466 -9.579 -1.611 1.00 0.00 C ATOM 96 C ALA A 520 -6.662 -9.920 -2.852 1.00 0.00 C ATOM 97 O ALA A 520 -5.539 -10.413 -2.758 1.00 0.00 O ATOM 98 CB ALA A 520 -7.225 -8.140 -1.194 1.00 0.00 C ATOM 0 H ALA A 520 -6.174 -10.387 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 520 -8.524 -9.696 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -7.482 -7.474 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.845 -7.903 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -6.175 -8.007 -0.935 1.00 0.00 H new ATOM 104 N THR A 521 -7.242 -9.662 -4.005 1.00 0.00 N ATOM 105 CA THR A 521 -6.567 -9.864 -5.267 1.00 0.00 C ATOM 106 C THR A 521 -6.101 -8.536 -5.836 1.00 0.00 C ATOM 107 O THR A 521 -6.778 -7.523 -5.675 1.00 0.00 O ATOM 108 CB THR A 521 -7.503 -10.557 -6.267 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.862 -10.223 -5.959 1.00 0.00 O ATOM 110 CG2 THR A 521 -7.317 -12.064 -6.229 1.00 0.00 C ATOM 0 H THR A 521 -8.194 -9.307 -4.093 1.00 0.00 H new ATOM 0 HA THR A 521 -5.698 -10.499 -5.094 1.00 0.00 H new ATOM 0 HB THR A 521 -7.259 -10.210 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 521 -9.460 -10.664 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.991 -12.532 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 521 -6.287 -12.310 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.540 -12.433 -5.228 1.00 0.00 H new ATOM 118 N PRO A 522 -4.940 -8.518 -6.506 1.00 0.00 N ATOM 119 CA PRO A 522 -4.366 -7.291 -7.064 1.00 0.00 C ATOM 120 C PRO A 522 -5.357 -6.541 -7.948 1.00 0.00 C ATOM 121 O PRO A 522 -5.465 -5.317 -7.876 1.00 0.00 O ATOM 122 CB PRO A 522 -3.168 -7.783 -7.893 1.00 0.00 C ATOM 123 CG PRO A 522 -3.325 -9.264 -7.993 1.00 0.00 C ATOM 124 CD PRO A 522 -4.090 -9.686 -6.774 1.00 0.00 C ATOM 0 HA PRO A 522 -4.088 -6.585 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -3.161 -7.323 -8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -2.226 -7.521 -7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.859 -9.538 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -2.354 -9.757 -8.033 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.681 -10.583 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -3.428 -9.906 -5.936 1.00 0.00 H new ATOM 132 N GLU A 523 -6.073 -7.291 -8.777 1.00 0.00 N ATOM 133 CA GLU A 523 -7.088 -6.715 -9.653 1.00 0.00 C ATOM 134 C GLU A 523 -8.131 -5.940 -8.834 1.00 0.00 C ATOM 135 O GLU A 523 -8.543 -4.846 -9.214 1.00 0.00 O ATOM 136 CB GLU A 523 -7.760 -7.808 -10.492 1.00 0.00 C ATOM 137 CG GLU A 523 -8.314 -8.966 -9.678 1.00 0.00 C ATOM 138 CD GLU A 523 -9.022 -9.993 -10.535 1.00 0.00 C ATOM 139 OE1 GLU A 523 -10.118 -9.690 -11.046 1.00 0.00 O ATOM 140 OE2 GLU A 523 -8.493 -11.114 -10.696 1.00 0.00 O ATOM 0 H GLU A 523 -5.970 -8.302 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.599 -6.016 -10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.571 -7.362 -11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -7.037 -8.196 -11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.499 -9.448 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -9.008 -8.581 -8.931 1.00 0.00 H new ATOM 147 N GLU A 524 -8.542 -6.509 -7.704 1.00 0.00 N ATOM 148 CA GLU A 524 -9.480 -5.854 -6.805 1.00 0.00 C ATOM 149 C GLU A 524 -8.821 -4.702 -6.045 1.00 0.00 C ATOM 150 O GLU A 524 -9.463 -3.706 -5.743 1.00 0.00 O ATOM 151 CB GLU A 524 -10.069 -6.864 -5.822 1.00 0.00 C ATOM 152 CG GLU A 524 -10.908 -7.945 -6.487 1.00 0.00 C ATOM 153 CD GLU A 524 -12.080 -7.395 -7.279 1.00 0.00 C ATOM 154 OE1 GLU A 524 -13.130 -7.105 -6.670 1.00 0.00 O ATOM 155 OE2 GLU A 524 -11.969 -7.279 -8.517 1.00 0.00 O ATOM 0 H GLU A 524 -8.236 -7.430 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 524 -10.283 -5.437 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -9.257 -7.335 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.685 -6.334 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -10.273 -8.531 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -11.283 -8.626 -5.723 1.00 0.00 H new ATOM 162 N VAL A 525 -7.539 -4.845 -5.728 1.00 0.00 N ATOM 163 CA VAL A 525 -6.821 -3.813 -4.983 1.00 0.00 C ATOM 164 C VAL A 525 -6.584 -2.573 -5.850 1.00 0.00 C ATOM 165 O VAL A 525 -6.586 -1.448 -5.357 1.00 0.00 O ATOM 166 CB VAL A 525 -5.468 -4.329 -4.439 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.748 -3.243 -3.652 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.662 -5.561 -3.569 1.00 0.00 C ATOM 0 H VAL A 525 -6.977 -5.660 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 525 -7.451 -3.544 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.853 -4.604 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.800 -3.631 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -4.561 -2.387 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -5.367 -2.932 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.695 -5.902 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -6.305 -5.313 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -6.126 -6.353 -4.158 1.00 0.00 H new ATOM 178 N ARG A 526 -6.367 -2.779 -7.145 1.00 0.00 N ATOM 179 CA ARG A 526 -6.207 -1.658 -8.068 1.00 0.00 C ATOM 180 C ARG A 526 -7.554 -1.053 -8.441 1.00 0.00 C ATOM 181 O ARG A 526 -7.612 0.043 -8.993 1.00 0.00 O ATOM 182 CB ARG A 526 -5.454 -2.067 -9.339 1.00 0.00 C ATOM 183 CG ARG A 526 -6.164 -3.107 -10.179 1.00 0.00 C ATOM 184 CD ARG A 526 -5.366 -3.451 -11.426 1.00 0.00 C ATOM 185 NE ARG A 526 -5.022 -2.263 -12.207 1.00 0.00 N ATOM 186 CZ ARG A 526 -4.621 -2.293 -13.475 1.00 0.00 C ATOM 187 NH1 ARG A 526 -4.600 -3.441 -14.143 1.00 0.00 N ATOM 188 NH2 ARG A 526 -4.262 -1.167 -14.079 1.00 0.00 N ATOM 0 H ARG A 526 -6.298 -3.701 -7.577 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.614 -0.907 -7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.285 -1.179 -9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.474 -2.452 -9.058 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -6.323 -4.008 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -7.148 -2.736 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -4.453 -3.972 -11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.942 -4.137 -12.046 1.00 0.00 H new ATOM 0 HE ARG A 526 -5.094 -1.354 -11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -4.892 -4.304 -13.684 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -4.292 -3.460 -15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -4.294 -0.283 -13.571 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -3.954 -1.186 -15.051 1.00 0.00 H new ATOM 202 N LEU A 527 -8.629 -1.783 -8.160 1.00 0.00 N ATOM 203 CA LEU A 527 -9.990 -1.331 -8.445 1.00 0.00 C ATOM 204 C LEU A 527 -10.251 0.085 -7.896 1.00 0.00 C ATOM 205 O LEU A 527 -10.647 0.969 -8.655 1.00 0.00 O ATOM 206 CB LEU A 527 -10.995 -2.336 -7.855 1.00 0.00 C ATOM 207 CG LEU A 527 -12.138 -2.784 -8.770 1.00 0.00 C ATOM 208 CD1 LEU A 527 -13.097 -1.640 -9.027 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.596 -3.337 -10.080 1.00 0.00 C ATOM 0 H LEU A 527 -8.583 -2.706 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 527 -10.115 -1.281 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.444 -3.222 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -11.430 -1.895 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.685 -3.581 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.902 -1.979 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.517 -1.297 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.564 -0.819 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.426 -3.649 -10.714 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -11.020 -2.565 -10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.954 -4.194 -9.875 1.00 0.00 H new ATOM 221 N PRO A 528 -10.027 0.338 -6.584 1.00 0.00 N ATOM 222 CA PRO A 528 -10.234 1.667 -5.994 1.00 0.00 C ATOM 223 C PRO A 528 -9.353 2.731 -6.638 1.00 0.00 C ATOM 224 O PRO A 528 -9.720 3.908 -6.683 1.00 0.00 O ATOM 225 CB PRO A 528 -9.867 1.482 -4.515 1.00 0.00 C ATOM 226 CG PRO A 528 -9.078 0.224 -4.458 1.00 0.00 C ATOM 227 CD PRO A 528 -9.588 -0.636 -5.572 1.00 0.00 C ATOM 0 HA PRO A 528 -11.256 2.016 -6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -9.286 2.327 -4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -10.760 1.414 -3.894 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.013 0.426 -4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -9.203 -0.271 -3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -8.810 -1.294 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -10.410 -1.272 -5.244 1.00 0.00 H new ATOM 235 N LEU A 529 -8.216 2.302 -7.173 1.00 0.00 N ATOM 236 CA LEU A 529 -7.288 3.211 -7.833 1.00 0.00 C ATOM 237 C LEU A 529 -7.897 3.728 -9.132 1.00 0.00 C ATOM 238 O LEU A 529 -7.487 4.760 -9.660 1.00 0.00 O ATOM 239 CB LEU A 529 -5.958 2.505 -8.136 1.00 0.00 C ATOM 240 CG LEU A 529 -5.320 1.748 -6.965 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.991 1.137 -7.388 1.00 0.00 C ATOM 242 CD2 LEU A 529 -5.126 2.664 -5.772 1.00 0.00 C ATOM 0 H LEU A 529 -7.914 1.328 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 529 -7.096 4.049 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -6.120 1.802 -8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -5.247 3.250 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.995 0.944 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -3.551 0.603 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -4.156 0.442 -8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -3.313 1.928 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -4.672 2.105 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -4.474 3.492 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -6.092 3.055 -5.452 1.00 0.00 H new ATOM 254 N GLN A 530 -8.887 2.998 -9.639 1.00 0.00 N ATOM 255 CA GLN A 530 -9.553 3.361 -10.883 1.00 0.00 C ATOM 256 C GLN A 530 -10.781 4.220 -10.596 1.00 0.00 C ATOM 257 O GLN A 530 -11.421 4.733 -11.514 1.00 0.00 O ATOM 258 CB GLN A 530 -9.973 2.109 -11.663 1.00 0.00 C ATOM 259 CG GLN A 530 -8.982 0.958 -11.572 1.00 0.00 C ATOM 260 CD GLN A 530 -9.208 -0.095 -12.636 1.00 0.00 C ATOM 261 OE1 GLN A 530 -10.069 -1.054 -12.344 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 -8.621 -0.039 -13.718 1.00 0.00 N flip ATOM 0 H GLN A 530 -9.246 2.148 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.848 3.931 -11.488 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.941 1.771 -11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -10.108 2.376 -12.711 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.969 1.349 -11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -9.058 0.496 -10.588 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -7.964 0.719 -13.903 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -8.792 -0.750 -14.429 1.00 0.00 H new ATOM 271 N HIS A 531 -11.120 4.358 -9.320 1.00 0.00 N ATOM 272 CA HIS A 531 -12.295 5.129 -8.927 1.00 0.00 C ATOM 273 C HIS A 531 -11.912 6.488 -8.355 1.00 0.00 C ATOM 274 O HIS A 531 -12.663 7.454 -8.486 1.00 0.00 O ATOM 275 CB HIS A 531 -13.152 4.352 -7.921 1.00 0.00 C ATOM 276 CG HIS A 531 -13.914 3.220 -8.539 1.00 0.00 C ATOM 277 ND1 HIS A 531 -13.616 1.902 -8.583 1.00 0.00 N flip ATOM 278 CD2 HIS A 531 -15.098 3.433 -9.200 1.00 0.00 C flip ATOM 279 CE1 HIS A 531 -14.625 1.288 -9.282 1.00 0.00 C flip ATOM 280 NE2 HIS A 531 -15.491 2.248 -9.632 1.00 0.00 N flip ATOM 0 H HIS A 531 -10.602 3.949 -8.543 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.884 5.298 -9.829 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.509 3.960 -7.133 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.855 5.038 -7.447 1.00 0.00 H new ATOM 0 HD1 HIS A 531 -12.798 1.450 -8.175 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -15.605 4.377 -9.339 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -14.705 0.235 -9.506 1.00 0.00 H new ATOM 288 N GLY A 532 -10.746 6.578 -7.733 1.00 0.00 N ATOM 289 CA GLY A 532 -10.320 7.847 -7.170 1.00 0.00 C ATOM 290 C GLY A 532 -9.334 7.683 -6.037 1.00 0.00 C ATOM 291 O GLY A 532 -8.554 8.589 -5.749 1.00 0.00 O ATOM 0 H GLY A 532 -10.092 5.806 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.868 8.454 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -11.193 8.391 -6.810 1.00 0.00 H new ATOM 295 N TRP A 533 -9.378 6.530 -5.387 1.00 0.00 N ATOM 296 CA TRP A 533 -8.450 6.222 -4.309 1.00 0.00 C ATOM 297 C TRP A 533 -7.039 6.029 -4.854 1.00 0.00 C ATOM 298 O TRP A 533 -6.849 5.827 -6.057 1.00 0.00 O ATOM 299 CB TRP A 533 -8.888 4.945 -3.597 1.00 0.00 C ATOM 300 CG TRP A 533 -10.233 5.037 -2.942 1.00 0.00 C ATOM 301 CD1 TRP A 533 -11.451 5.133 -3.557 1.00 0.00 C ATOM 302 CD2 TRP A 533 -10.494 5.013 -1.539 1.00 0.00 C ATOM 303 NE1 TRP A 533 -12.448 5.199 -2.617 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.887 5.117 -1.370 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.682 4.918 -0.408 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -12.483 5.125 -0.113 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -10.274 4.924 0.837 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.662 5.026 0.977 1.00 0.00 C ATOM 0 H TRP A 533 -10.049 5.789 -5.588 1.00 0.00 H new ATOM 0 HA TRP A 533 -8.451 7.056 -3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.902 4.127 -4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -8.145 4.691 -2.841 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.605 5.154 -4.626 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -13.444 5.294 -2.814 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.609 4.841 -0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -13.554 5.206 -0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.656 4.849 1.719 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -12.095 5.027 1.966 1.00 0.00 H new ATOM 319 N ARG A 534 -6.053 6.096 -3.976 1.00 0.00 N ATOM 320 CA ARG A 534 -4.685 5.776 -4.348 1.00 0.00 C ATOM 321 C ARG A 534 -4.043 4.944 -3.259 1.00 0.00 C ATOM 322 O ARG A 534 -4.504 4.944 -2.117 1.00 0.00 O ATOM 323 CB ARG A 534 -3.853 7.035 -4.599 1.00 0.00 C ATOM 324 CG ARG A 534 -2.431 6.748 -5.051 1.00 0.00 C ATOM 325 CD ARG A 534 -1.645 8.008 -5.357 1.00 0.00 C ATOM 326 NE ARG A 534 -0.306 7.686 -5.850 1.00 0.00 N ATOM 327 CZ ARG A 534 0.578 8.582 -6.276 1.00 0.00 C ATOM 328 NH1 ARG A 534 0.296 9.879 -6.258 1.00 0.00 N ATOM 329 NH2 ARG A 534 1.754 8.174 -6.724 1.00 0.00 N ATOM 0 H ARG A 534 -6.174 6.369 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.716 5.210 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -4.349 7.643 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -3.821 7.627 -3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -1.915 6.183 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -2.458 6.117 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -2.177 8.601 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -1.568 8.620 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 534 -0.031 6.704 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -0.609 10.199 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 534 0.985 10.555 -6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 534 1.976 7.179 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 534 2.439 8.855 -7.053 1.00 0.00 H new ATOM 343 N ARG A 535 -2.967 4.269 -3.607 1.00 0.00 N ATOM 344 CA ARG A 535 -2.283 3.409 -2.657 1.00 0.00 C ATOM 345 C ARG A 535 -0.778 3.450 -2.887 1.00 0.00 C ATOM 346 O ARG A 535 -0.287 3.075 -3.952 1.00 0.00 O ATOM 347 CB ARG A 535 -2.784 1.976 -2.828 1.00 0.00 C ATOM 348 CG ARG A 535 -2.283 1.006 -1.774 1.00 0.00 C ATOM 349 CD ARG A 535 -1.881 -0.314 -2.404 1.00 0.00 C ATOM 350 NE ARG A 535 -1.951 -1.432 -1.462 1.00 0.00 N ATOM 351 CZ ARG A 535 -1.101 -2.460 -1.457 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.103 -2.501 -2.331 1.00 0.00 N ATOM 353 NH2 ARG A 535 -1.242 -3.431 -0.564 1.00 0.00 N ATOM 0 H ARG A 535 -2.547 4.297 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.492 3.761 -1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.874 1.981 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.482 1.613 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.430 1.439 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -3.061 0.837 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -2.531 -0.519 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.865 -0.233 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.696 -1.425 -0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.014 -1.746 -3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.547 -3.287 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -2.000 -3.391 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.593 -4.218 -0.559 1.00 0.00 H new ATOM 367 N GLU A 536 -0.055 3.879 -1.876 1.00 0.00 N ATOM 368 CA GLU A 536 1.393 3.958 -1.957 1.00 0.00 C ATOM 369 C GLU A 536 2.010 3.011 -0.942 1.00 0.00 C ATOM 370 O GLU A 536 1.490 2.860 0.158 1.00 0.00 O ATOM 371 CB GLU A 536 1.877 5.388 -1.699 1.00 0.00 C ATOM 372 CG GLU A 536 1.491 6.370 -2.791 1.00 0.00 C ATOM 373 CD GLU A 536 2.045 7.762 -2.549 1.00 0.00 C ATOM 374 OE1 GLU A 536 1.640 8.406 -1.559 1.00 0.00 O ATOM 375 OE2 GLU A 536 2.897 8.221 -3.340 1.00 0.00 O ATOM 0 H GLU A 536 -0.445 4.180 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 536 1.702 3.670 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.468 5.735 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 536 2.962 5.382 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 536 1.853 6.001 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.404 6.423 -2.859 1.00 0.00 H new ATOM 382 N VAL A 537 3.097 2.359 -1.305 1.00 0.00 N ATOM 383 CA VAL A 537 3.763 1.451 -0.388 1.00 0.00 C ATOM 384 C VAL A 537 5.172 1.940 -0.108 1.00 0.00 C ATOM 385 O VAL A 537 5.988 2.089 -1.016 1.00 0.00 O ATOM 386 CB VAL A 537 3.807 0.005 -0.933 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.461 -0.935 0.069 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.407 -0.480 -1.270 1.00 0.00 C ATOM 0 H VAL A 537 3.537 2.439 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 537 3.186 1.437 0.537 1.00 0.00 H new ATOM 0 HB VAL A 537 4.407 0.007 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.479 -1.946 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.481 -0.605 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 537 3.892 -0.929 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.457 -1.500 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 537 1.789 -0.459 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 537 1.969 0.170 -2.027 1.00 0.00 H new ATOM 398 N ARG A 538 5.438 2.195 1.154 1.00 0.00 N ATOM 399 CA ARG A 538 6.715 2.740 1.571 1.00 0.00 C ATOM 400 C ARG A 538 7.555 1.658 2.227 1.00 0.00 C ATOM 401 O ARG A 538 7.146 1.072 3.229 1.00 0.00 O ATOM 402 CB ARG A 538 6.491 3.911 2.532 1.00 0.00 C ATOM 403 CG ARG A 538 5.635 5.016 1.932 1.00 0.00 C ATOM 404 CD ARG A 538 5.308 6.099 2.947 1.00 0.00 C ATOM 405 NE ARG A 538 6.503 6.791 3.426 1.00 0.00 N ATOM 406 CZ ARG A 538 6.876 8.004 3.020 1.00 0.00 C ATOM 407 NH1 ARG A 538 6.168 8.653 2.100 1.00 0.00 N ATOM 408 NH2 ARG A 538 7.960 8.568 3.537 1.00 0.00 N ATOM 0 H ARG A 538 4.781 2.032 1.917 1.00 0.00 H new ATOM 0 HA ARG A 538 7.252 3.107 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.015 3.542 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.456 4.324 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.158 5.460 1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 538 4.709 4.589 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 538 4.628 6.822 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 538 4.785 5.654 3.794 1.00 0.00 H new ATOM 0 HE ARG A 538 7.088 6.316 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 538 5.334 8.222 1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 538 6.459 9.581 1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 538 8.505 8.073 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 538 8.248 9.496 3.228 1.00 0.00 H new ATOM 422 N ILE A 539 8.721 1.378 1.658 1.00 0.00 N ATOM 423 CA ILE A 539 9.591 0.358 2.207 1.00 0.00 C ATOM 424 C ILE A 539 10.874 0.979 2.748 1.00 0.00 C ATOM 425 O ILE A 539 11.611 1.663 2.034 1.00 0.00 O ATOM 426 CB ILE A 539 9.938 -0.699 1.149 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.658 -1.214 0.488 1.00 0.00 C ATOM 428 CG2 ILE A 539 10.710 -1.847 1.783 1.00 0.00 C ATOM 429 CD1 ILE A 539 8.896 -2.279 -0.556 1.00 0.00 C ATOM 0 H ILE A 539 9.080 1.841 0.823 1.00 0.00 H new ATOM 0 HA ILE A 539 9.056 -0.126 3.024 1.00 0.00 H new ATOM 0 HB ILE A 539 10.568 -0.243 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 539 7.999 -1.614 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.136 -0.376 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 539 10.949 -2.589 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.633 -1.467 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.102 -2.309 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 539 7.942 -2.594 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.529 -1.878 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.389 -3.136 -0.096 1.00 0.00 H new ATOM 441 N LYS A 540 11.124 0.724 4.015 1.00 0.00 N ATOM 442 CA LYS A 540 12.282 1.281 4.692 1.00 0.00 C ATOM 443 C LYS A 540 13.071 0.224 5.444 1.00 0.00 C ATOM 444 O LYS A 540 12.512 -0.746 5.961 1.00 0.00 O ATOM 445 CB LYS A 540 11.843 2.395 5.645 1.00 0.00 C ATOM 446 CG LYS A 540 10.769 1.968 6.635 1.00 0.00 C ATOM 447 CD LYS A 540 10.296 3.135 7.488 1.00 0.00 C ATOM 448 CE LYS A 540 11.433 3.728 8.301 1.00 0.00 C ATOM 449 NZ LYS A 540 10.995 4.896 9.109 1.00 0.00 N ATOM 0 H LYS A 540 10.538 0.131 4.602 1.00 0.00 H new ATOM 0 HA LYS A 540 12.943 1.693 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 540 12.712 2.751 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.471 3.236 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 540 9.922 1.546 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.160 1.181 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 540 9.866 3.905 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 540 9.505 2.800 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 540 11.842 2.964 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 540 12.237 4.033 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 11.803 5.268 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 10.629 5.637 8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 10.246 4.601 9.768 1.00 0.00 H new ATOM 463 N LYS A 541 14.379 0.413 5.491 1.00 0.00 N ATOM 464 CA LYS A 541 15.220 -0.465 6.277 1.00 0.00 C ATOM 465 C LYS A 541 15.071 -0.104 7.745 1.00 0.00 C ATOM 466 O LYS A 541 15.270 1.050 8.132 1.00 0.00 O ATOM 467 CB LYS A 541 16.683 -0.324 5.852 1.00 0.00 C ATOM 468 CG LYS A 541 17.661 -1.062 6.753 1.00 0.00 C ATOM 469 CD LYS A 541 17.552 -2.566 6.599 1.00 0.00 C ATOM 470 CE LYS A 541 18.588 -3.286 7.445 1.00 0.00 C ATOM 471 NZ LYS A 541 19.977 -2.928 7.048 1.00 0.00 N ATOM 0 H LYS A 541 14.874 1.157 5.000 1.00 0.00 H new ATOM 0 HA LYS A 541 14.914 -1.499 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 541 16.792 -0.695 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 541 16.946 0.734 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.678 -0.747 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.473 -0.789 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.553 -2.892 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.684 -2.837 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.435 -3.037 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.450 -4.363 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.640 -3.631 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.049 -2.914 6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.214 -1.988 7.424 1.00 0.00 H new ATOM 485 N GLY A 542 14.714 -1.079 8.553 1.00 0.00 N ATOM 486 CA GLY A 542 14.522 -0.833 9.961 1.00 0.00 C ATOM 487 C GLY A 542 15.738 -1.225 10.762 1.00 0.00 C ATOM 488 O GLY A 542 16.642 -1.882 10.241 1.00 0.00 O ATOM 0 H GLY A 542 14.552 -2.042 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 542 14.305 0.223 10.120 1.00 0.00 H new ATOM 0 HA3 GLY A 542 13.656 -1.393 10.314 1.00 0.00 H new ATOM 492 N SER A 543 15.766 -0.825 12.021 1.00 0.00 N ATOM 493 CA SER A 543 16.874 -1.148 12.904 1.00 0.00 C ATOM 494 C SER A 543 16.914 -2.648 13.172 1.00 0.00 C ATOM 495 O SER A 543 17.977 -3.233 13.382 1.00 0.00 O ATOM 496 CB SER A 543 16.720 -0.382 14.216 1.00 0.00 C ATOM 497 OG SER A 543 16.412 0.982 13.971 1.00 0.00 O ATOM 0 H SER A 543 15.029 -0.272 12.458 1.00 0.00 H new ATOM 0 HA SER A 543 17.810 -0.857 12.426 1.00 0.00 H new ATOM 0 HB2 SER A 543 15.931 -0.835 14.816 1.00 0.00 H new ATOM 0 HB3 SER A 543 17.641 -0.453 14.794 1.00 0.00 H new ATOM 0 HG SER A 543 16.316 1.454 14.824 1.00 0.00 H new ATOM 503 N HIS A 544 15.743 -3.269 13.134 1.00 0.00 N ATOM 504 CA HIS A 544 15.625 -4.690 13.413 1.00 0.00 C ATOM 505 C HIS A 544 15.582 -5.479 12.115 1.00 0.00 C ATOM 506 O HIS A 544 16.436 -6.326 11.861 1.00 0.00 O ATOM 507 CB HIS A 544 14.357 -4.976 14.226 1.00 0.00 C ATOM 508 CG HIS A 544 14.201 -4.109 15.436 1.00 0.00 C ATOM 509 ND1 HIS A 544 13.082 -3.331 15.619 1.00 0.00 N ATOM 510 CD2 HIS A 544 15.040 -3.931 16.483 1.00 0.00 C ATOM 511 CE1 HIS A 544 13.265 -2.701 16.769 1.00 0.00 C ATOM 512 NE2 HIS A 544 14.437 -3.034 17.326 1.00 0.00 N ATOM 0 H HIS A 544 14.861 -2.808 12.912 1.00 0.00 H new ATOM 0 HA HIS A 544 16.496 -4.996 13.993 1.00 0.00 H new ATOM 0 HB2 HIS A 544 13.487 -4.843 13.582 1.00 0.00 H new ATOM 0 HB3 HIS A 544 14.366 -6.020 14.539 1.00 0.00 H new ATOM 0 HD2 HIS A 544 16.000 -4.405 16.627 1.00 0.00 H new ATOM 0 HE1 HIS A 544 12.560 -2.007 17.203 1.00 0.00 H new ATOM 0 HE2 HIS A 544 14.810 -2.686 18.209 1.00 0.00 H new ATOM 520 N ARG A 545 14.591 -5.179 11.288 1.00 0.00 N ATOM 521 CA ARG A 545 14.372 -5.915 10.053 1.00 0.00 C ATOM 522 C ARG A 545 13.973 -4.987 8.918 1.00 0.00 C ATOM 523 O ARG A 545 13.876 -3.772 9.088 1.00 0.00 O ATOM 524 CB ARG A 545 13.267 -6.956 10.237 1.00 0.00 C ATOM 525 CG ARG A 545 13.637 -8.128 11.127 1.00 0.00 C ATOM 526 CD ARG A 545 12.499 -9.131 11.184 1.00 0.00 C ATOM 527 NE ARG A 545 12.103 -9.568 9.846 1.00 0.00 N ATOM 528 CZ ARG A 545 10.841 -9.731 9.453 1.00 0.00 C ATOM 529 NH1 ARG A 545 9.844 -9.567 10.312 1.00 0.00 N ATOM 530 NH2 ARG A 545 10.578 -10.068 8.198 1.00 0.00 N ATOM 0 H ARG A 545 13.923 -4.426 11.452 1.00 0.00 H new ATOM 0 HA ARG A 545 15.312 -6.406 9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 545 12.389 -6.463 10.656 1.00 0.00 H new ATOM 0 HB3 ARG A 545 12.981 -7.338 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 545 14.537 -8.611 10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 545 13.866 -7.772 12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 545 12.803 -9.995 11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 545 11.643 -8.684 11.690 1.00 0.00 H new ATOM 0 HE ARG A 545 12.842 -9.761 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 545 10.041 -9.314 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 545 8.880 -9.693 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 545 11.342 -10.202 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 545 9.612 -10.193 7.895 1.00 0.00 H new ATOM 544 N TRP A 546 13.726 -5.591 7.769 1.00 0.00 N ATOM 545 CA TRP A 546 13.222 -4.855 6.623 1.00 0.00 C ATOM 546 C TRP A 546 11.716 -4.730 6.738 1.00 0.00 C ATOM 547 O TRP A 546 11.012 -5.733 6.869 1.00 0.00 O ATOM 548 CB TRP A 546 13.597 -5.545 5.313 1.00 0.00 C ATOM 549 CG TRP A 546 14.940 -5.136 4.805 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.147 -5.671 5.143 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.208 -4.088 3.870 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.153 -5.020 4.473 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.601 -4.044 3.683 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.404 -3.182 3.169 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.208 -3.131 2.828 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.008 -2.276 2.320 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.399 -2.256 2.156 1.00 0.00 C ATOM 0 H TRP A 546 13.866 -6.588 7.605 1.00 0.00 H new ATOM 0 HA TRP A 546 13.676 -3.864 6.615 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.583 -6.625 5.460 1.00 0.00 H new ATOM 0 HB3 TRP A 546 12.844 -5.316 4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.291 -6.487 5.836 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.149 -5.228 4.550 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.331 -3.191 3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.280 -3.113 2.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.398 -1.572 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 546 16.842 -1.535 1.485 1.00 0.00 H new ATOM 568 N GLN A 547 11.219 -3.505 6.699 1.00 0.00 N ATOM 569 CA GLN A 547 9.799 -3.270 6.872 1.00 0.00 C ATOM 570 C GLN A 547 9.217 -2.439 5.742 1.00 0.00 C ATOM 571 O GLN A 547 9.912 -1.661 5.087 1.00 0.00 O ATOM 572 CB GLN A 547 9.547 -2.577 8.214 1.00 0.00 C ATOM 573 CG GLN A 547 10.206 -1.213 8.332 1.00 0.00 C ATOM 574 CD GLN A 547 10.044 -0.602 9.709 1.00 0.00 C ATOM 575 OE1 GLN A 547 10.879 -0.801 10.590 1.00 0.00 O ATOM 576 NE2 GLN A 547 8.971 0.146 9.904 1.00 0.00 N ATOM 0 H GLN A 547 11.776 -2.663 6.550 1.00 0.00 H new ATOM 0 HA GLN A 547 9.300 -4.239 6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.472 -2.465 8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 547 9.912 -3.217 9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.268 -1.306 8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.777 -0.541 7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.302 0.286 9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.812 0.583 10.812 1.00 0.00 H new ATOM 585 N GLY A 548 7.932 -2.618 5.536 1.00 0.00 N ATOM 586 CA GLY A 548 7.213 -1.863 4.543 1.00 0.00 C ATOM 587 C GLY A 548 5.800 -1.606 4.992 1.00 0.00 C ATOM 588 O GLY A 548 5.227 -2.409 5.730 1.00 0.00 O ATOM 0 H GLY A 548 7.361 -3.288 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.720 -0.916 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.207 -2.407 3.599 1.00 0.00 H new ATOM 592 N GLU A 549 5.234 -0.504 4.555 1.00 0.00 N ATOM 593 CA GLU A 549 3.888 -0.148 4.954 1.00 0.00 C ATOM 594 C GLU A 549 3.099 0.347 3.758 1.00 0.00 C ATOM 595 O GLU A 549 3.646 0.940 2.826 1.00 0.00 O ATOM 596 CB GLU A 549 3.908 0.909 6.063 1.00 0.00 C ATOM 597 CG GLU A 549 4.411 2.260 5.600 1.00 0.00 C ATOM 598 CD GLU A 549 4.789 3.171 6.751 1.00 0.00 C ATOM 599 OE1 GLU A 549 5.943 3.100 7.221 1.00 0.00 O ATOM 600 OE2 GLU A 549 3.930 3.965 7.194 1.00 0.00 O ATOM 0 H GLU A 549 5.682 0.161 3.925 1.00 0.00 H new ATOM 0 HA GLU A 549 3.400 -1.039 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 549 2.901 1.023 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.538 0.556 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.278 2.118 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.641 2.743 4.998 1.00 0.00 H new ATOM 607 N THR A 550 1.820 0.083 3.795 1.00 0.00 N ATOM 608 CA THR A 550 0.939 0.463 2.713 1.00 0.00 C ATOM 609 C THR A 550 0.045 1.618 3.132 1.00 0.00 C ATOM 610 O THR A 550 -0.594 1.578 4.183 1.00 0.00 O ATOM 611 CB THR A 550 0.075 -0.714 2.249 1.00 0.00 C ATOM 612 OG1 THR A 550 0.903 -1.757 1.716 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.923 -0.257 1.202 1.00 0.00 C ATOM 0 H THR A 550 1.358 -0.397 4.567 1.00 0.00 H new ATOM 0 HA THR A 550 1.567 0.776 1.879 1.00 0.00 H new ATOM 0 HB THR A 550 -0.472 -1.102 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 550 0.800 -2.566 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.529 -1.105 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.569 0.512 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.389 0.151 0.344 1.00 0.00 H new ATOM 621 N TRP A 551 0.062 2.665 2.338 1.00 0.00 N ATOM 622 CA TRP A 551 -0.742 3.831 2.612 1.00 0.00 C ATOM 623 C TRP A 551 -1.903 3.908 1.624 1.00 0.00 C ATOM 624 O TRP A 551 -1.795 3.499 0.467 1.00 0.00 O ATOM 625 CB TRP A 551 0.091 5.107 2.515 1.00 0.00 C ATOM 626 CG TRP A 551 0.874 5.411 3.751 1.00 0.00 C ATOM 627 CD1 TRP A 551 1.785 4.609 4.368 1.00 0.00 C ATOM 628 CD2 TRP A 551 0.815 6.617 4.517 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.292 5.241 5.476 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.717 6.478 5.585 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.085 7.801 4.400 1.00 0.00 C ATOM 632 CZ2 TRP A 551 1.910 7.481 6.532 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.275 8.796 5.339 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.183 8.631 6.392 1.00 0.00 C ATOM 0 H TRP A 551 0.628 2.731 1.492 1.00 0.00 H new ATOM 0 HA TRP A 551 -1.128 3.743 3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 551 0.778 5.018 1.673 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.570 5.946 2.299 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.067 3.621 4.035 1.00 0.00 H new ATOM 0 HE1 TRP A 551 2.985 4.852 6.115 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.616 7.937 3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.608 7.355 7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.286 9.716 5.260 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.312 9.429 7.109 1.00 0.00 H new ATOM 645 N TYR A 552 -3.000 4.441 2.116 1.00 0.00 N ATOM 646 CA TYR A 552 -4.185 4.649 1.297 1.00 0.00 C ATOM 647 C TYR A 552 -4.726 6.046 1.511 1.00 0.00 C ATOM 648 O TYR A 552 -4.585 6.612 2.593 1.00 0.00 O ATOM 649 CB TYR A 552 -5.268 3.611 1.624 1.00 0.00 C ATOM 650 CG TYR A 552 -5.486 2.568 0.543 1.00 0.00 C ATOM 651 CD1 TYR A 552 -6.135 2.898 -0.640 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.061 1.252 0.708 1.00 0.00 C ATOM 653 CE1 TYR A 552 -6.351 1.956 -1.627 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.278 0.303 -0.274 1.00 0.00 C ATOM 655 CZ TYR A 552 -5.923 0.660 -1.439 1.00 0.00 C ATOM 656 OH TYR A 552 -6.131 -0.278 -2.423 1.00 0.00 O ATOM 0 H TYR A 552 -3.101 4.742 3.085 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.901 4.530 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -5.000 3.105 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -6.209 4.131 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -6.477 3.911 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -4.554 0.968 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -6.853 2.234 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -4.944 -0.714 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.291 -0.748 -2.610 1.00 0.00 H new ATOM 666 N TYR A 553 -5.338 6.614 0.488 1.00 0.00 N ATOM 667 CA TYR A 553 -5.837 7.972 0.571 1.00 0.00 C ATOM 668 C TYR A 553 -7.259 8.050 0.047 1.00 0.00 C ATOM 669 O TYR A 553 -7.566 7.501 -1.013 1.00 0.00 O ATOM 670 CB TYR A 553 -4.943 8.913 -0.245 1.00 0.00 C ATOM 671 CG TYR A 553 -3.464 8.738 0.026 1.00 0.00 C ATOM 672 CD1 TYR A 553 -2.727 7.766 -0.643 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.810 9.531 0.956 1.00 0.00 C ATOM 674 CE1 TYR A 553 -1.383 7.592 -0.388 1.00 0.00 C ATOM 675 CE2 TYR A 553 -1.465 9.365 1.214 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.757 8.394 0.542 1.00 0.00 C ATOM 677 OH TYR A 553 0.583 8.226 0.796 1.00 0.00 O ATOM 0 H TYR A 553 -5.501 6.156 -0.409 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.826 8.276 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -5.131 8.748 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -5.223 9.944 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -3.215 7.138 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -3.363 10.292 1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.824 6.832 -0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.970 9.994 1.939 1.00 0.00 H new ATOM 0 HH TYR A 553 1.101 8.480 0.003 1.00 0.00 H new ATOM 687 N GLY A 554 -8.123 8.717 0.798 1.00 0.00 N ATOM 688 CA GLY A 554 -9.462 8.972 0.324 1.00 0.00 C ATOM 689 C GLY A 554 -9.445 9.950 -0.826 1.00 0.00 C ATOM 690 O GLY A 554 -8.711 10.940 -0.782 1.00 0.00 O ATOM 0 H GLY A 554 -7.918 9.085 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.924 8.038 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -10.071 9.369 1.136 1.00 0.00 H new ATOM 694 N PRO A 555 -10.235 9.689 -1.876 1.00 0.00 N ATOM 695 CA PRO A 555 -10.229 10.490 -3.102 1.00 0.00 C ATOM 696 C PRO A 555 -10.377 11.989 -2.853 1.00 0.00 C ATOM 697 O PRO A 555 -9.855 12.805 -3.612 1.00 0.00 O ATOM 698 CB PRO A 555 -11.411 9.945 -3.916 1.00 0.00 C ATOM 699 CG PRO A 555 -12.147 9.007 -3.015 1.00 0.00 C ATOM 700 CD PRO A 555 -11.171 8.562 -1.967 1.00 0.00 C ATOM 0 HA PRO A 555 -9.273 10.402 -3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -12.061 10.755 -4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -11.062 9.430 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -13.005 9.501 -2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -12.530 8.154 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.664 8.371 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -10.664 7.641 -2.255 1.00 0.00 H new ATOM 708 N CYS A 556 -11.070 12.355 -1.791 1.00 0.00 N ATOM 709 CA CYS A 556 -11.153 13.753 -1.401 1.00 0.00 C ATOM 710 C CYS A 556 -10.976 13.919 0.106 1.00 0.00 C ATOM 711 O CYS A 556 -10.551 14.977 0.576 1.00 0.00 O ATOM 712 CB CYS A 556 -12.495 14.337 -1.843 1.00 0.00 C ATOM 713 SG CYS A 556 -13.926 13.382 -1.291 1.00 0.00 S ATOM 0 H CYS A 556 -11.580 11.711 -1.186 1.00 0.00 H new ATOM 0 HA CYS A 556 -10.345 14.293 -1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.581 15.355 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.511 14.402 -2.931 1.00 0.00 H new ATOM 0 HG CYS A 556 -15.016 13.953 -1.710 1.00 0.00 H new ATOM 719 N GLY A 557 -11.305 12.874 0.856 1.00 0.00 N ATOM 720 CA GLY A 557 -11.223 12.952 2.306 1.00 0.00 C ATOM 721 C GLY A 557 -9.832 12.689 2.859 1.00 0.00 C ATOM 722 O GLY A 557 -8.824 12.960 2.201 1.00 0.00 O ATOM 0 H GLY A 557 -11.626 11.977 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.549 13.942 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.918 12.232 2.739 1.00 0.00 H new ATOM 726 N LYS A 558 -9.790 12.155 4.075 1.00 0.00 N ATOM 727 CA LYS A 558 -8.527 11.894 4.761 1.00 0.00 C ATOM 728 C LYS A 558 -7.840 10.660 4.192 1.00 0.00 C ATOM 729 O LYS A 558 -8.332 10.042 3.246 1.00 0.00 O ATOM 730 CB LYS A 558 -8.720 11.731 6.276 1.00 0.00 C ATOM 731 CG LYS A 558 -9.587 10.550 6.695 1.00 0.00 C ATOM 732 CD LYS A 558 -11.036 10.964 6.866 1.00 0.00 C ATOM 733 CE LYS A 558 -11.811 9.956 7.694 1.00 0.00 C ATOM 734 NZ LYS A 558 -13.165 10.457 8.038 1.00 0.00 N ATOM 0 H LYS A 558 -10.619 11.893 4.609 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.892 12.764 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.740 11.626 6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -9.164 12.645 6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -9.518 9.761 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.212 10.135 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -11.081 11.942 7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -11.503 11.068 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -11.898 9.021 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -11.261 9.736 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -13.672 9.736 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -13.080 11.327 8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -13.692 10.659 7.165 1.00 0.00 H new ATOM 748 N ARG A 559 -6.704 10.306 4.770 1.00 0.00 N ATOM 749 CA ARG A 559 -5.955 9.151 4.313 1.00 0.00 C ATOM 750 C ARG A 559 -5.783 8.146 5.436 1.00 0.00 C ATOM 751 O ARG A 559 -5.575 8.508 6.594 1.00 0.00 O ATOM 752 CB ARG A 559 -4.587 9.548 3.751 1.00 0.00 C ATOM 753 CG ARG A 559 -3.651 10.191 4.759 1.00 0.00 C ATOM 754 CD ARG A 559 -3.907 11.685 4.881 1.00 0.00 C ATOM 755 NE ARG A 559 -2.933 12.350 5.739 1.00 0.00 N ATOM 756 CZ ARG A 559 -2.874 13.669 5.910 1.00 0.00 C ATOM 757 NH1 ARG A 559 -3.747 14.461 5.300 1.00 0.00 N ATOM 758 NH2 ARG A 559 -1.943 14.196 6.692 1.00 0.00 N ATOM 0 H ARG A 559 -6.282 10.802 5.555 1.00 0.00 H new ATOM 0 HA ARG A 559 -6.528 8.691 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -4.105 8.660 3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.736 10.239 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.781 9.718 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.617 10.021 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -3.881 12.137 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -4.908 11.847 5.280 1.00 0.00 H new ATOM 0 HE ARG A 559 -2.257 11.771 6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -4.466 14.060 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -3.699 15.471 5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -1.271 13.591 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -1.899 15.207 6.822 1.00 0.00 H new ATOM 772 N MET A 560 -5.878 6.887 5.074 1.00 0.00 N ATOM 773 CA MET A 560 -5.817 5.816 6.041 1.00 0.00 C ATOM 774 C MET A 560 -4.705 4.846 5.696 1.00 0.00 C ATOM 775 O MET A 560 -4.433 4.590 4.529 1.00 0.00 O ATOM 776 CB MET A 560 -7.159 5.080 6.112 1.00 0.00 C ATOM 777 CG MET A 560 -8.335 5.960 6.532 1.00 0.00 C ATOM 778 SD MET A 560 -8.885 7.103 5.246 1.00 0.00 S ATOM 779 CE MET A 560 -9.206 5.970 3.900 1.00 0.00 C ATOM 0 H MET A 560 -5.999 6.579 4.109 1.00 0.00 H new ATOM 0 HA MET A 560 -5.605 6.251 7.018 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.375 4.646 5.135 1.00 0.00 H new ATOM 0 HB3 MET A 560 -7.070 4.252 6.816 1.00 0.00 H new ATOM 0 HG2 MET A 560 -9.170 5.321 6.819 1.00 0.00 H new ATOM 0 HG3 MET A 560 -8.052 6.531 7.416 1.00 0.00 H new ATOM 0 HE1 MET A 560 -10.071 6.315 3.333 1.00 0.00 H new ATOM 0 HE2 MET A 560 -8.336 5.927 3.245 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.407 4.977 4.301 1.00 0.00 H new ATOM 789 N LYS A 561 -4.061 4.300 6.713 1.00 0.00 N ATOM 790 CA LYS A 561 -3.016 3.312 6.499 1.00 0.00 C ATOM 791 C LYS A 561 -3.389 2.040 7.231 1.00 0.00 C ATOM 792 O LYS A 561 -2.688 1.034 7.169 1.00 0.00 O ATOM 793 CB LYS A 561 -1.674 3.780 7.039 1.00 0.00 C ATOM 794 CG LYS A 561 -1.447 5.275 6.992 1.00 0.00 C ATOM 795 CD LYS A 561 -0.833 5.776 8.293 1.00 0.00 C ATOM 796 CE LYS A 561 0.507 5.109 8.581 1.00 0.00 C ATOM 797 NZ LYS A 561 1.140 5.633 9.822 1.00 0.00 N ATOM 0 H LYS A 561 -4.242 4.522 7.692 1.00 0.00 H new ATOM 0 HA LYS A 561 -2.926 3.151 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -1.580 3.447 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -0.882 3.290 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.790 5.520 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -2.394 5.785 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.697 6.856 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.520 5.583 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.362 4.033 8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.179 5.268 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 2.048 5.151 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.303 6.655 9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 0.512 5.459 10.632 1.00 0.00 H new ATOM 811 N GLN A 562 -4.496 2.110 7.944 1.00 0.00 N ATOM 812 CA GLN A 562 -4.928 1.006 8.773 1.00 0.00 C ATOM 813 C GLN A 562 -6.241 0.449 8.267 1.00 0.00 C ATOM 814 O GLN A 562 -7.099 1.190 7.787 1.00 0.00 O ATOM 815 CB GLN A 562 -5.078 1.450 10.230 1.00 0.00 C ATOM 816 CG GLN A 562 -3.913 2.280 10.748 1.00 0.00 C ATOM 817 CD GLN A 562 -2.560 1.609 10.567 1.00 0.00 C ATOM 818 OE1 GLN A 562 -2.531 0.289 10.602 1.00 0.00 O flip ATOM 819 NE2 GLN A 562 -1.544 2.281 10.396 1.00 0.00 N flip ATOM 0 H GLN A 562 -5.113 2.922 7.965 1.00 0.00 H new ATOM 0 HA GLN A 562 -4.169 0.226 8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.996 2.029 10.330 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.189 0.566 10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.905 3.241 10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -4.068 2.487 11.807 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -1.604 3.299 10.375 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -0.642 1.820 10.276 1.00 0.00 H new ATOM 828 N PHE A 563 -6.391 -0.855 8.390 1.00 0.00 N ATOM 829 CA PHE A 563 -7.616 -1.534 8.002 1.00 0.00 C ATOM 830 C PHE A 563 -8.826 -0.989 8.777 1.00 0.00 C ATOM 831 O PHE A 563 -9.841 -0.649 8.169 1.00 0.00 O ATOM 832 CB PHE A 563 -7.464 -3.040 8.220 1.00 0.00 C ATOM 833 CG PHE A 563 -8.605 -3.852 7.679 1.00 0.00 C ATOM 834 CD1 PHE A 563 -9.129 -3.586 6.423 1.00 0.00 C ATOM 835 CD2 PHE A 563 -9.139 -4.892 8.416 1.00 0.00 C ATOM 836 CE1 PHE A 563 -10.166 -4.343 5.917 1.00 0.00 C ATOM 837 CE2 PHE A 563 -10.179 -5.650 7.916 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.693 -5.376 6.665 1.00 0.00 C ATOM 0 H PHE A 563 -5.670 -1.474 8.761 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.795 -1.345 6.944 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.539 -3.374 7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.367 -3.234 9.288 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.721 -2.778 5.834 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.738 -5.114 9.394 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.565 -4.127 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.590 -6.457 8.504 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.506 -5.969 6.272 1.00 0.00 H new ATOM 848 N PRO A 564 -8.735 -0.864 10.124 1.00 0.00 N ATOM 849 CA PRO A 564 -9.834 -0.328 10.940 1.00 0.00 C ATOM 850 C PRO A 564 -10.150 1.128 10.606 1.00 0.00 C ATOM 851 O PRO A 564 -11.206 1.642 10.972 1.00 0.00 O ATOM 852 CB PRO A 564 -9.317 -0.446 12.376 1.00 0.00 C ATOM 853 CG PRO A 564 -7.838 -0.502 12.239 1.00 0.00 C ATOM 854 CD PRO A 564 -7.581 -1.237 10.963 1.00 0.00 C ATOM 0 HA PRO A 564 -10.764 -0.870 10.766 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.627 0.407 12.980 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.704 -1.340 12.864 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.409 0.499 12.208 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.385 -1.017 13.086 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.638 -0.936 10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.529 -2.314 11.122 1.00 0.00 H new ATOM 862 N GLU A 565 -9.245 1.777 9.880 1.00 0.00 N ATOM 863 CA GLU A 565 -9.449 3.144 9.415 1.00 0.00 C ATOM 864 C GLU A 565 -10.239 3.168 8.110 1.00 0.00 C ATOM 865 O GLU A 565 -10.909 4.146 7.786 1.00 0.00 O ATOM 866 CB GLU A 565 -8.105 3.845 9.227 1.00 0.00 C ATOM 867 CG GLU A 565 -7.442 4.262 10.527 1.00 0.00 C ATOM 868 CD GLU A 565 -8.239 5.314 11.267 1.00 0.00 C ATOM 869 OE1 GLU A 565 -8.542 6.369 10.670 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.576 5.092 12.446 1.00 0.00 O ATOM 0 H GLU A 565 -8.352 1.371 9.598 1.00 0.00 H new ATOM 0 HA GLU A 565 -10.025 3.675 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.433 3.181 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -8.251 4.728 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.318 3.387 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.444 4.647 10.316 1.00 0.00 H new ATOM 877 N VAL A 566 -10.132 2.098 7.351 1.00 0.00 N ATOM 878 CA VAL A 566 -10.859 1.997 6.099 1.00 0.00 C ATOM 879 C VAL A 566 -12.315 1.601 6.352 1.00 0.00 C ATOM 880 O VAL A 566 -13.236 2.186 5.781 1.00 0.00 O ATOM 881 CB VAL A 566 -10.178 1.018 5.122 1.00 0.00 C ATOM 882 CG1 VAL A 566 -11.063 0.762 3.914 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.823 1.574 4.685 1.00 0.00 C ATOM 0 H VAL A 566 -9.553 1.289 7.575 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.848 2.980 5.629 1.00 0.00 H new ATOM 0 HB VAL A 566 -10.020 0.068 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -10.563 0.069 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -12.009 0.331 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -11.252 1.702 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -8.349 0.876 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.966 2.534 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -8.186 1.709 5.559 1.00 0.00 H new ATOM 893 N ILE A 567 -12.514 0.624 7.239 1.00 0.00 N ATOM 894 CA ILE A 567 -13.859 0.138 7.579 1.00 0.00 C ATOM 895 C ILE A 567 -14.730 1.265 8.128 1.00 0.00 C ATOM 896 O ILE A 567 -15.940 1.303 7.907 1.00 0.00 O ATOM 897 CB ILE A 567 -13.815 -1.000 8.622 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.669 -1.959 8.318 1.00 0.00 C ATOM 899 CG2 ILE A 567 -15.138 -1.756 8.637 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.724 -2.538 6.926 1.00 0.00 C ATOM 0 H ILE A 567 -11.761 0.151 7.738 1.00 0.00 H new ATOM 0 HA ILE A 567 -14.289 -0.244 6.653 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.650 -0.559 9.605 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.722 -1.435 8.448 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.685 -2.773 9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -15.092 -2.555 9.377 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.946 -1.070 8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -15.324 -2.184 7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.879 -3.211 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.655 -3.091 6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.678 -1.731 6.194 1.00 0.00 H new ATOM 912 N LYS A 568 -14.095 2.196 8.819 1.00 0.00 N ATOM 913 CA LYS A 568 -14.822 3.332 9.362 1.00 0.00 C ATOM 914 C LYS A 568 -15.182 4.316 8.259 1.00 0.00 C ATOM 915 O LYS A 568 -16.277 4.866 8.245 1.00 0.00 O ATOM 916 CB LYS A 568 -14.042 4.022 10.482 1.00 0.00 C ATOM 917 CG LYS A 568 -12.647 4.451 10.083 1.00 0.00 C ATOM 918 CD LYS A 568 -11.938 5.195 11.205 1.00 0.00 C ATOM 919 CE LYS A 568 -11.751 4.319 12.431 1.00 0.00 C ATOM 920 NZ LYS A 568 -10.995 5.016 13.500 1.00 0.00 N ATOM 0 H LYS A 568 -13.094 2.190 9.016 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.746 2.954 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.600 4.898 10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.974 3.346 11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -12.063 3.574 9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.702 5.090 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.966 5.542 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.514 6.080 11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.726 4.018 12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -11.224 3.408 12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -10.889 4.384 14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -10.055 5.281 13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -11.510 5.872 13.788 1.00 0.00 H new ATOM 934 N TYR A 569 -14.267 4.506 7.316 1.00 0.00 N ATOM 935 CA TYR A 569 -14.438 5.473 6.244 1.00 0.00 C ATOM 936 C TYR A 569 -15.650 5.112 5.398 1.00 0.00 C ATOM 937 O TYR A 569 -16.470 5.971 5.069 1.00 0.00 O ATOM 938 CB TYR A 569 -13.173 5.491 5.382 1.00 0.00 C ATOM 939 CG TYR A 569 -13.107 6.611 4.367 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.764 6.516 3.146 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.363 7.754 4.624 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.684 7.532 2.212 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.271 8.771 3.696 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.933 8.656 2.492 1.00 0.00 C ATOM 945 OH TYR A 569 -12.830 9.665 1.563 1.00 0.00 O ATOM 0 H TYR A 569 -13.386 3.993 7.275 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.602 6.463 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -12.305 5.564 6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -13.096 4.539 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -14.346 5.634 2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.847 7.849 5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -14.205 7.447 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.684 9.652 3.911 1.00 0.00 H new ATOM 0 HH TYR A 569 -13.030 10.524 1.990 1.00 0.00 H new ATOM 955 N LEU A 570 -15.766 3.828 5.084 1.00 0.00 N ATOM 956 CA LEU A 570 -16.837 3.331 4.236 1.00 0.00 C ATOM 957 C LEU A 570 -18.177 3.454 4.948 1.00 0.00 C ATOM 958 O LEU A 570 -19.188 3.804 4.347 1.00 0.00 O ATOM 959 CB LEU A 570 -16.578 1.867 3.873 1.00 0.00 C ATOM 960 CG LEU A 570 -15.164 1.551 3.381 1.00 0.00 C ATOM 961 CD1 LEU A 570 -15.061 0.095 2.964 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.768 2.469 2.236 1.00 0.00 C ATOM 0 H LEU A 570 -15.123 3.106 5.409 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.866 3.929 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.785 1.252 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -17.287 1.571 3.100 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.470 1.724 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -14.049 -0.113 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -15.291 -0.545 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.769 -0.104 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.759 2.223 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.464 2.338 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.797 3.505 2.574 1.00 0.00 H new ATOM 974 N SER A 571 -18.162 3.160 6.238 1.00 0.00 N ATOM 975 CA SER A 571 -19.365 3.174 7.054 1.00 0.00 C ATOM 976 C SER A 571 -19.848 4.601 7.334 1.00 0.00 C ATOM 977 O SER A 571 -21.050 4.854 7.418 1.00 0.00 O ATOM 978 CB SER A 571 -19.078 2.441 8.362 1.00 0.00 C ATOM 979 OG SER A 571 -18.599 1.127 8.110 1.00 0.00 O ATOM 0 H SER A 571 -17.316 2.905 6.748 1.00 0.00 H new ATOM 0 HA SER A 571 -20.163 2.671 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.341 2.997 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.986 2.393 8.964 1.00 0.00 H new ATOM 0 HG SER A 571 -17.631 1.097 8.262 1.00 0.00 H new ATOM 985 N ARG A 572 -18.907 5.525 7.491 1.00 0.00 N ATOM 986 CA ARG A 572 -19.234 6.918 7.794 1.00 0.00 C ATOM 987 C ARG A 572 -19.705 7.653 6.547 1.00 0.00 C ATOM 988 O ARG A 572 -20.611 8.482 6.603 1.00 0.00 O ATOM 989 CB ARG A 572 -18.012 7.624 8.389 1.00 0.00 C ATOM 990 CG ARG A 572 -17.612 7.075 9.747 1.00 0.00 C ATOM 991 CD ARG A 572 -16.210 7.503 10.154 1.00 0.00 C ATOM 992 NE ARG A 572 -16.047 8.953 10.198 1.00 0.00 N ATOM 993 CZ ARG A 572 -15.085 9.569 10.885 1.00 0.00 C ATOM 994 NH1 ARG A 572 -14.230 8.866 11.620 1.00 0.00 N ATOM 995 NH2 ARG A 572 -14.982 10.889 10.843 1.00 0.00 N ATOM 0 H ARG A 572 -17.908 5.336 7.414 1.00 0.00 H new ATOM 0 HA ARG A 572 -20.046 6.928 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -17.172 7.525 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -18.224 8.689 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -18.325 7.415 10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.665 5.987 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.979 7.087 11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -15.490 7.083 9.452 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.707 9.527 9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.308 7.850 11.661 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -13.496 9.343 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.639 11.434 10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -14.246 11.360 11.369 1.00 0.00 H new ATOM 1009 N ASN A 573 -19.094 7.327 5.425 1.00 0.00 N ATOM 1010 CA ASN A 573 -19.400 7.988 4.166 1.00 0.00 C ATOM 1011 C ASN A 573 -20.291 7.103 3.313 1.00 0.00 C ATOM 1012 O ASN A 573 -20.794 6.079 3.779 1.00 0.00 O ATOM 1013 CB ASN A 573 -18.104 8.305 3.413 1.00 0.00 C ATOM 1014 CG ASN A 573 -17.262 9.354 4.112 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -17.336 10.542 3.791 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -16.471 8.927 5.089 1.00 0.00 N ATOM 0 H ASN A 573 -18.378 6.604 5.357 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.926 8.919 4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -17.520 7.391 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -18.348 8.651 2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.895 9.591 5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -16.440 7.935 5.323 1.00 0.00 H new ATOM 1023 N VAL A 574 -20.502 7.503 2.071 1.00 0.00 N ATOM 1024 CA VAL A 574 -21.221 6.669 1.127 1.00 0.00 C ATOM 1025 C VAL A 574 -20.272 6.202 0.035 1.00 0.00 C ATOM 1026 O VAL A 574 -19.745 7.012 -0.731 1.00 0.00 O ATOM 1027 CB VAL A 574 -22.408 7.415 0.482 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -23.181 6.490 -0.445 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -23.324 7.995 1.546 1.00 0.00 C ATOM 0 H VAL A 574 -20.187 8.397 1.695 1.00 0.00 H new ATOM 0 HA VAL A 574 -21.619 5.817 1.678 1.00 0.00 H new ATOM 0 HB VAL A 574 -22.010 8.240 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -24.014 7.034 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -22.520 6.130 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -23.564 5.642 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -24.153 8.516 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -23.713 7.190 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -22.764 8.696 2.165 1.00 0.00 H new ATOM 1039 N VAL A 575 -20.068 4.897 -0.030 1.00 0.00 N ATOM 1040 CA VAL A 575 -19.192 4.291 -1.021 1.00 0.00 C ATOM 1041 C VAL A 575 -19.800 2.973 -1.475 1.00 0.00 C ATOM 1042 O VAL A 575 -20.032 2.083 -0.660 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.771 4.027 -0.460 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.872 3.436 -1.527 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -17.146 5.297 0.093 1.00 0.00 C ATOM 0 H VAL A 575 -20.505 4.227 0.603 1.00 0.00 H new ATOM 0 HA VAL A 575 -19.096 4.986 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.873 3.311 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.880 3.259 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -17.293 2.493 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.795 4.130 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -16.151 5.075 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -17.071 6.041 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -17.768 5.687 0.899 1.00 0.00 H new ATOM 1055 N HIS A 576 -20.082 2.855 -2.762 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.729 1.659 -3.282 1.00 0.00 C ATOM 1057 C HIS A 576 -19.805 0.887 -4.219 1.00 0.00 C ATOM 1058 O HIS A 576 -19.875 -0.340 -4.297 1.00 0.00 O ATOM 1059 CB HIS A 576 -22.037 2.027 -4.001 1.00 0.00 C ATOM 1060 CG HIS A 576 -21.862 2.933 -5.189 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -21.788 4.298 -5.047 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -21.759 2.621 -6.504 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -21.642 4.783 -6.269 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -21.620 3.804 -7.183 1.00 0.00 N ATOM 0 H HIS A 576 -19.875 3.567 -3.463 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.961 1.012 -2.436 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -22.527 1.110 -4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -22.706 2.509 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -21.782 1.631 -6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -21.552 5.834 -6.500 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -21.519 3.917 -8.192 1.00 0.00 H new ATOM 1072 N SER A 577 -18.930 1.607 -4.908 1.00 0.00 N ATOM 1073 CA SER A 577 -18.061 1.006 -5.912 1.00 0.00 C ATOM 1074 C SER A 577 -17.010 0.102 -5.273 1.00 0.00 C ATOM 1075 O SER A 577 -16.769 -1.015 -5.737 1.00 0.00 O ATOM 1076 CB SER A 577 -17.377 2.108 -6.717 1.00 0.00 C ATOM 1077 OG SER A 577 -18.328 3.032 -7.217 1.00 0.00 O ATOM 0 H SER A 577 -18.803 2.612 -4.790 1.00 0.00 H new ATOM 0 HA SER A 577 -18.674 0.391 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 577 -16.654 2.628 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 577 -16.821 1.668 -7.545 1.00 0.00 H new ATOM 0 HG SER A 577 -17.868 3.730 -7.728 1.00 0.00 H new ATOM 1083 N VAL A 578 -16.406 0.584 -4.199 1.00 0.00 N ATOM 1084 CA VAL A 578 -15.354 -0.166 -3.531 1.00 0.00 C ATOM 1085 C VAL A 578 -15.725 -0.551 -2.106 1.00 0.00 C ATOM 1086 O VAL A 578 -16.321 0.230 -1.365 1.00 0.00 O ATOM 1087 CB VAL A 578 -14.002 0.586 -3.560 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -13.397 0.515 -4.950 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -14.157 2.041 -3.141 1.00 0.00 C ATOM 0 H VAL A 578 -16.624 1.485 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 578 -15.239 -1.090 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 578 -13.339 0.099 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -12.446 1.047 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -13.233 -0.528 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -14.078 0.974 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -13.186 2.535 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.844 2.544 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -14.553 2.087 -2.126 1.00 0.00 H new ATOM 1099 N ARG A 579 -15.396 -1.787 -1.753 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.645 -2.316 -0.419 1.00 0.00 C ATOM 1101 C ARG A 579 -14.303 -2.560 0.255 1.00 0.00 C ATOM 1102 O ARG A 579 -13.267 -2.454 -0.399 1.00 0.00 O ATOM 1103 CB ARG A 579 -16.442 -3.625 -0.492 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.509 -3.642 -1.579 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.540 -2.543 -1.379 1.00 0.00 C ATOM 1106 NE ARG A 579 -19.327 -2.743 -0.167 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.892 -1.759 0.525 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -19.717 -0.497 0.156 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -20.623 -2.040 1.591 1.00 0.00 N ATOM 0 H ARG A 579 -14.949 -2.451 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 579 -16.233 -1.599 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.751 -4.450 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.918 -3.803 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -17.036 -3.523 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -18.008 -4.611 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -18.035 -1.578 -1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -19.206 -2.510 -2.242 1.00 0.00 H new ATOM 0 HE ARG A 579 -19.451 -3.698 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -19.147 -0.279 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -20.152 0.255 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.752 -3.010 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -21.058 -1.287 2.124 1.00 0.00 H new ATOM 1123 N ARG A 580 -14.305 -2.879 1.547 1.00 0.00 N ATOM 1124 CA ARG A 580 -13.064 -3.085 2.293 1.00 0.00 C ATOM 1125 C ARG A 580 -12.153 -4.124 1.637 1.00 0.00 C ATOM 1126 O ARG A 580 -10.931 -4.013 1.727 1.00 0.00 O ATOM 1127 CB ARG A 580 -13.328 -3.480 3.747 1.00 0.00 C ATOM 1128 CG ARG A 580 -14.152 -4.742 3.930 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.628 -4.419 4.043 1.00 0.00 C ATOM 1130 NE ARG A 580 -16.418 -5.560 4.492 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.584 -5.448 5.127 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -18.096 -4.248 5.385 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -18.243 -6.536 5.500 1.00 0.00 N ATOM 0 H ARG A 580 -15.153 -3.001 2.101 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.550 -2.124 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -12.371 -3.613 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.839 -2.656 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.987 -5.413 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.822 -5.268 4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.763 -3.591 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.998 -4.084 3.074 1.00 0.00 H new ATOM 0 HE ARG A 580 -16.057 -6.497 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.596 -3.407 5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.989 -4.168 5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.857 -7.459 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -19.136 -6.450 5.986 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.733 -5.131 0.982 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.957 -6.150 0.277 1.00 0.00 C ATOM 1149 C GLU A 581 -11.051 -5.555 -0.801 1.00 0.00 C ATOM 1150 O GLU A 581 -9.992 -6.105 -1.102 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.893 -7.183 -0.350 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.809 -6.606 -1.418 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.869 -7.583 -1.865 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.949 -7.615 -1.243 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -14.630 -8.329 -2.838 1.00 0.00 O ATOM 0 H GLU A 581 -13.743 -5.262 0.926 1.00 0.00 H new ATOM 0 HA GLU A 581 -11.315 -6.629 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -12.296 -7.983 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.502 -7.633 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -14.289 -5.707 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -13.212 -6.305 -2.279 1.00 0.00 H new ATOM 1162 N HIS A 582 -11.465 -4.430 -1.362 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.718 -3.776 -2.429 1.00 0.00 C ATOM 1164 C HIS A 582 -9.474 -3.086 -1.882 1.00 0.00 C ATOM 1165 O HIS A 582 -8.595 -2.663 -2.631 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.610 -2.780 -3.172 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.632 -3.440 -4.047 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.980 -3.335 -3.794 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -12.449 -4.201 -5.152 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.578 -4.032 -4.746 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.690 -4.576 -5.590 1.00 0.00 N ATOM 0 H HIS A 582 -12.322 -3.946 -1.094 1.00 0.00 H new ATOM 0 HA HIS A 582 -10.392 -4.540 -3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -12.118 -2.146 -2.446 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.985 -2.128 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -11.503 -4.462 -5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.648 -4.148 -4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.899 -5.157 -6.402 1.00 0.00 H new ATOM 1179 N PHE A 583 -9.403 -2.978 -0.569 1.00 0.00 N ATOM 1180 CA PHE A 583 -8.286 -2.322 0.080 1.00 0.00 C ATOM 1181 C PHE A 583 -7.418 -3.356 0.781 1.00 0.00 C ATOM 1182 O PHE A 583 -7.913 -4.183 1.552 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.783 -1.274 1.074 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.728 -0.277 0.466 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -9.272 0.685 -0.414 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -11.075 -0.310 0.772 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -10.143 1.596 -0.976 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.953 0.597 0.216 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.486 1.552 -0.660 1.00 0.00 C ATOM 0 H PHE A 583 -10.110 -3.339 0.071 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.687 -1.814 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -9.281 -1.777 1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.926 -0.744 1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -8.222 0.725 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -11.446 -1.058 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.774 2.343 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -13.003 0.559 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 583 -12.169 2.265 -1.098 1.00 0.00 H new ATOM 1199 N SER A 584 -6.128 -3.321 0.504 1.00 0.00 N ATOM 1200 CA SER A 584 -5.190 -4.258 1.084 1.00 0.00 C ATOM 1201 C SER A 584 -3.961 -3.491 1.539 1.00 0.00 C ATOM 1202 O SER A 584 -3.457 -2.635 0.808 1.00 0.00 O ATOM 1203 CB SER A 584 -4.800 -5.330 0.062 1.00 0.00 C ATOM 1204 OG SER A 584 -3.834 -6.221 0.593 1.00 0.00 O ATOM 0 H SER A 584 -5.703 -2.643 -0.129 1.00 0.00 H new ATOM 0 HA SER A 584 -5.651 -4.759 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 584 -5.686 -5.888 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 584 -4.404 -4.854 -0.835 1.00 0.00 H new ATOM 0 HG SER A 584 -3.606 -6.895 -0.081 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.486 -3.775 2.737 1.00 0.00 N ATOM 1211 CA PHE A 585 -2.341 -3.062 3.274 1.00 0.00 C ATOM 1212 C PHE A 585 -1.104 -3.945 3.309 1.00 0.00 C ATOM 1213 O PHE A 585 -0.025 -3.503 3.703 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.656 -2.507 4.659 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.484 -1.256 4.613 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.960 -0.105 4.059 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.773 -1.225 5.116 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.694 1.056 4.004 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.516 -0.059 5.068 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.971 1.083 4.510 1.00 0.00 C ATOM 0 H PHE A 585 -3.872 -4.490 3.354 1.00 0.00 H new ATOM 0 HA PHE A 585 -2.126 -2.225 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -3.184 -3.265 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.723 -2.300 5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.956 -0.117 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -5.202 -2.117 5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -3.268 1.945 3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.520 -0.041 5.466 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.548 1.995 4.472 1.00 0.00 H new ATOM 1230 N SER A 586 -1.271 -5.193 2.908 1.00 0.00 N ATOM 1231 CA SER A 586 -0.147 -6.098 2.744 1.00 0.00 C ATOM 1232 C SER A 586 0.816 -5.571 1.677 1.00 0.00 C ATOM 1233 O SER A 586 0.443 -5.437 0.507 1.00 0.00 O ATOM 1234 CB SER A 586 -0.663 -7.482 2.350 1.00 0.00 C ATOM 1235 OG SER A 586 -1.620 -7.949 3.285 1.00 0.00 O ATOM 0 H SER A 586 -2.178 -5.604 2.689 1.00 0.00 H new ATOM 0 HA SER A 586 0.394 -6.168 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 586 -1.110 -7.439 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.170 -8.183 2.295 1.00 0.00 H new ATOM 0 HG SER A 586 -1.938 -8.835 3.013 1.00 0.00 H new ATOM 1241 N PRO A 587 2.071 -5.261 2.062 1.00 0.00 N ATOM 1242 CA PRO A 587 3.084 -4.758 1.127 1.00 0.00 C ATOM 1243 C PRO A 587 3.628 -5.856 0.219 1.00 0.00 C ATOM 1244 O PRO A 587 4.618 -5.664 -0.480 1.00 0.00 O ATOM 1245 CB PRO A 587 4.182 -4.235 2.048 1.00 0.00 C ATOM 1246 CG PRO A 587 4.080 -5.098 3.255 1.00 0.00 C ATOM 1247 CD PRO A 587 2.606 -5.359 3.438 1.00 0.00 C ATOM 0 HA PRO A 587 2.680 -4.004 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.165 -4.314 1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.029 -3.184 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 587 4.630 -6.029 3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.503 -4.602 4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.422 -6.342 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.147 -4.626 4.102 1.00 0.00 H new ATOM 1255 N ARG A 588 2.967 -7.006 0.228 1.00 0.00 N ATOM 1256 CA ARG A 588 3.301 -8.100 -0.665 1.00 0.00 C ATOM 1257 C ARG A 588 2.413 -8.019 -1.897 1.00 0.00 C ATOM 1258 O ARG A 588 2.531 -8.814 -2.830 1.00 0.00 O ATOM 1259 CB ARG A 588 3.101 -9.444 0.040 1.00 0.00 C ATOM 1260 CG ARG A 588 3.958 -9.617 1.285 1.00 0.00 C ATOM 1261 CD ARG A 588 3.703 -10.958 1.952 1.00 0.00 C ATOM 1262 NE ARG A 588 2.345 -11.062 2.486 1.00 0.00 N ATOM 1263 CZ ARG A 588 1.473 -12.009 2.136 1.00 0.00 C ATOM 1264 NH1 ARG A 588 1.796 -12.915 1.219 1.00 0.00 N ATOM 1265 NH2 ARG A 588 0.272 -12.043 2.700 1.00 0.00 N ATOM 0 H ARG A 588 2.186 -7.203 0.854 1.00 0.00 H new ATOM 0 HA ARG A 588 4.348 -8.022 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.051 -9.547 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.327 -10.248 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.012 -9.537 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 588 3.746 -8.813 1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 588 3.870 -11.758 1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 588 4.421 -11.102 2.759 1.00 0.00 H new ATOM 0 HE ARG A 588 2.046 -10.366 3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 588 2.715 -12.889 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 588 1.124 -13.636 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 588 0.017 -11.346 3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 588 -0.396 -12.766 2.434 1.00 0.00 H new ATOM 1279 N MET A 589 1.518 -7.042 -1.873 1.00 0.00 N ATOM 1280 CA MET A 589 0.594 -6.814 -2.971 1.00 0.00 C ATOM 1281 C MET A 589 1.130 -5.732 -3.901 1.00 0.00 C ATOM 1282 O MET A 589 1.112 -4.549 -3.561 1.00 0.00 O ATOM 1283 CB MET A 589 -0.781 -6.412 -2.431 1.00 0.00 C ATOM 1284 CG MET A 589 -1.842 -6.329 -3.500 1.00 0.00 C ATOM 1285 SD MET A 589 -2.067 -7.882 -4.385 1.00 0.00 S ATOM 1286 CE MET A 589 -2.691 -8.932 -3.075 1.00 0.00 C ATOM 0 H MET A 589 1.413 -6.389 -1.096 1.00 0.00 H new ATOM 0 HA MET A 589 0.492 -7.740 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 589 -1.092 -7.134 -1.676 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.700 -5.445 -1.934 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.788 -6.036 -3.044 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.575 -5.547 -4.211 1.00 0.00 H new ATOM 0 HE1 MET A 589 -3.126 -9.833 -3.507 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.873 -9.207 -2.409 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.454 -8.395 -2.511 1.00 0.00 H new ATOM 1296 N PRO A 590 1.612 -6.126 -5.088 1.00 0.00 N ATOM 1297 CA PRO A 590 2.240 -5.210 -6.044 1.00 0.00 C ATOM 1298 C PRO A 590 1.227 -4.465 -6.906 1.00 0.00 C ATOM 1299 O PRO A 590 1.151 -4.675 -8.120 1.00 0.00 O ATOM 1300 CB PRO A 590 3.074 -6.157 -6.900 1.00 0.00 C ATOM 1301 CG PRO A 590 2.295 -7.427 -6.921 1.00 0.00 C ATOM 1302 CD PRO A 590 1.579 -7.511 -5.599 1.00 0.00 C ATOM 0 HA PRO A 590 2.808 -4.422 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.216 -5.762 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.066 -6.307 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.585 -7.433 -7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 590 2.954 -8.284 -7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.556 -7.868 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.078 -8.200 -4.918 1.00 0.00 H new ATOM 1310 N VAL A 591 0.455 -3.588 -6.285 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.634 -2.938 -6.990 1.00 0.00 C ATOM 1312 C VAL A 591 -0.357 -1.483 -7.364 1.00 0.00 C ATOM 1313 O VAL A 591 -0.128 -1.206 -8.539 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.953 -3.080 -6.215 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -3.045 -2.246 -6.850 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -2.349 -4.539 -6.203 1.00 0.00 C ATOM 0 H VAL A 591 0.560 -3.314 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.728 -3.463 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.814 -2.722 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.969 -2.363 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.749 -1.197 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -3.205 -2.576 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -3.284 -4.658 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -2.480 -4.889 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -1.568 -5.124 -5.717 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.361 -0.544 -6.414 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.295 0.854 -6.791 1.00 0.00 C ATOM 1328 C GLY A 592 1.119 1.346 -6.971 1.00 0.00 C ATOM 1329 O GLY A 592 1.713 1.186 -8.037 1.00 0.00 O ATOM 0 H GLY A 592 -0.408 -0.725 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.847 1.001 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.789 1.455 -6.028 1.00 0.00 H new ATOM 1333 N ASP A 593 1.662 1.942 -5.927 1.00 0.00 N ATOM 1334 CA ASP A 593 2.988 2.510 -5.989 1.00 0.00 C ATOM 1335 C ASP A 593 3.875 1.911 -4.911 1.00 0.00 C ATOM 1336 O ASP A 593 3.443 1.694 -3.788 1.00 0.00 O ATOM 1337 CB ASP A 593 2.931 4.035 -5.843 1.00 0.00 C ATOM 1338 CG ASP A 593 2.165 4.708 -6.967 1.00 0.00 C ATOM 1339 OD1 ASP A 593 2.632 4.658 -8.123 1.00 0.00 O ATOM 1340 OD2 ASP A 593 1.089 5.292 -6.703 1.00 0.00 O ATOM 0 H ASP A 593 1.200 2.044 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 593 3.415 2.272 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.464 4.286 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 593 3.946 4.430 -5.815 1.00 0.00 H new ATOM 1345 N PHE A 594 5.100 1.628 -5.288 1.00 0.00 N ATOM 1346 CA PHE A 594 6.099 1.097 -4.361 1.00 0.00 C ATOM 1347 C PHE A 594 7.332 1.981 -4.312 1.00 0.00 C ATOM 1348 O PHE A 594 7.850 2.394 -5.348 1.00 0.00 O ATOM 1349 CB PHE A 594 6.498 -0.326 -4.747 1.00 0.00 C ATOM 1350 CG PHE A 594 5.604 -1.386 -4.175 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.301 -1.534 -4.617 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.076 -2.238 -3.191 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.484 -2.512 -4.087 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.264 -3.219 -2.657 1.00 0.00 C ATOM 1355 CZ PHE A 594 3.966 -3.356 -3.106 1.00 0.00 C ATOM 0 H PHE A 594 5.441 1.755 -6.241 1.00 0.00 H new ATOM 0 HA PHE A 594 5.646 1.081 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 594 6.496 -0.411 -5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.520 -0.509 -4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 594 3.919 -0.877 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.091 -2.134 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 594 2.468 -2.617 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 594 5.644 -3.878 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.328 -4.122 -2.691 1.00 0.00 H new ATOM 1365 N PHE A 595 7.785 2.290 -3.102 1.00 0.00 N ATOM 1366 CA PHE A 595 8.974 3.108 -2.915 1.00 0.00 C ATOM 1367 C PHE A 595 9.941 2.443 -1.942 1.00 0.00 C ATOM 1368 O PHE A 595 9.537 1.651 -1.091 1.00 0.00 O ATOM 1369 CB PHE A 595 8.581 4.491 -2.381 1.00 0.00 C ATOM 1370 CG PHE A 595 7.437 5.115 -3.127 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.131 4.878 -2.729 1.00 0.00 C ATOM 1372 CD2 PHE A 595 7.661 5.922 -4.229 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.074 5.432 -3.414 1.00 0.00 C ATOM 1374 CE2 PHE A 595 6.602 6.479 -4.920 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.307 6.230 -4.509 1.00 0.00 C ATOM 0 H PHE A 595 7.344 1.984 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 595 9.468 3.217 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.314 4.403 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.445 5.153 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 595 5.940 4.251 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 595 8.673 6.118 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.061 5.240 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 595 6.786 7.107 -5.779 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.477 6.662 -5.048 1.00 0.00 H new ATOM 1385 N GLU A 596 11.209 2.787 -2.069 1.00 0.00 N ATOM 1386 CA GLU A 596 12.239 2.285 -1.175 1.00 0.00 C ATOM 1387 C GLU A 596 13.130 3.440 -0.743 1.00 0.00 C ATOM 1388 O GLU A 596 13.602 4.207 -1.584 1.00 0.00 O ATOM 1389 CB GLU A 596 13.087 1.218 -1.874 1.00 0.00 C ATOM 1390 CG GLU A 596 14.249 0.725 -1.020 1.00 0.00 C ATOM 1391 CD GLU A 596 15.217 -0.165 -1.771 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.045 0.362 -2.545 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.165 -1.396 -1.584 1.00 0.00 O ATOM 0 H GLU A 596 11.554 3.419 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 596 11.763 1.834 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.452 0.372 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.477 1.625 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 596 14.790 1.585 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 596 13.854 0.178 -0.164 1.00 0.00 H new ATOM 1400 N GLU A 597 13.353 3.589 0.553 1.00 0.00 N ATOM 1401 CA GLU A 597 14.177 4.666 1.072 1.00 0.00 C ATOM 1402 C GLU A 597 15.648 4.377 0.797 1.00 0.00 C ATOM 1403 O GLU A 597 16.159 3.303 1.123 1.00 0.00 O ATOM 1404 CB GLU A 597 13.946 4.821 2.577 1.00 0.00 C ATOM 1405 CG GLU A 597 14.881 5.815 3.245 1.00 0.00 C ATOM 1406 CD GLU A 597 14.703 5.860 4.746 1.00 0.00 C ATOM 1407 OE1 GLU A 597 15.229 4.964 5.435 1.00 0.00 O ATOM 1408 OE2 GLU A 597 14.037 6.791 5.247 1.00 0.00 O ATOM 0 H GLU A 597 12.971 2.971 1.269 1.00 0.00 H new ATOM 0 HA GLU A 597 13.901 5.595 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.916 5.136 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 597 14.064 3.848 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.913 5.551 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.705 6.808 2.832 1.00 0.00 H new ATOM 1415 N ARG A 598 16.308 5.331 0.167 1.00 0.00 N ATOM 1416 CA ARG A 598 17.707 5.191 -0.192 1.00 0.00 C ATOM 1417 C ARG A 598 18.467 6.455 0.177 1.00 0.00 C ATOM 1418 O ARG A 598 17.873 7.531 0.283 1.00 0.00 O ATOM 1419 CB ARG A 598 17.818 4.917 -1.699 1.00 0.00 C ATOM 1420 CG ARG A 598 19.241 4.842 -2.226 1.00 0.00 C ATOM 1421 CD ARG A 598 19.272 4.517 -3.708 1.00 0.00 C ATOM 1422 NE ARG A 598 20.640 4.397 -4.211 1.00 0.00 N ATOM 1423 CZ ARG A 598 21.003 3.581 -5.201 1.00 0.00 C ATOM 1424 NH1 ARG A 598 20.110 2.776 -5.764 1.00 0.00 N ATOM 1425 NH2 ARG A 598 22.263 3.557 -5.614 1.00 0.00 N ATOM 0 H ARG A 598 15.892 6.220 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 598 18.144 4.356 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.312 3.978 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.286 5.701 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.745 5.793 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.794 4.082 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.736 3.585 -3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.749 5.296 -4.262 1.00 0.00 H new ATOM 0 HE ARG A 598 21.361 4.973 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 598 19.143 2.781 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 598 20.391 2.153 -6.521 1.00 0.00 H new ATOM 0 HH21 ARG A 598 22.955 4.163 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 598 22.540 2.932 -6.371 1.00 0.00 H new ATOM 1439 N ASP A 599 19.774 6.336 0.363 1.00 0.00 N ATOM 1440 CA ASP A 599 20.618 7.491 0.611 1.00 0.00 C ATOM 1441 C ASP A 599 21.391 7.876 -0.629 1.00 0.00 C ATOM 1442 O ASP A 599 21.796 7.028 -1.425 1.00 0.00 O ATOM 1443 CB ASP A 599 21.589 7.226 1.753 1.00 0.00 C ATOM 1444 CG ASP A 599 22.403 8.449 2.128 1.00 0.00 C ATOM 1445 OD1 ASP A 599 21.818 9.443 2.605 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.642 8.409 1.961 1.00 0.00 O ATOM 0 H ASP A 599 20.272 5.446 0.346 1.00 0.00 H new ATOM 0 HA ASP A 599 19.962 8.316 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 599 21.032 6.884 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 599 22.264 6.419 1.470 1.00 0.00 H new ATOM 1451 N THR A 600 21.582 9.159 -0.771 1.00 0.00 N ATOM 1452 CA THR A 600 22.287 9.733 -1.902 1.00 0.00 C ATOM 1453 C THR A 600 23.237 10.810 -1.408 1.00 0.00 C ATOM 1454 O THR A 600 23.133 11.244 -0.261 1.00 0.00 O ATOM 1455 CB THR A 600 21.295 10.343 -2.914 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.756 11.552 -2.388 1.00 0.00 O ATOM 1457 CG2 THR A 600 20.160 9.382 -3.197 1.00 0.00 C ATOM 0 H THR A 600 21.251 9.851 -0.099 1.00 0.00 H new ATOM 0 HA THR A 600 22.848 8.943 -2.402 1.00 0.00 H new ATOM 0 HB THR A 600 21.832 10.544 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 600 20.409 11.390 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.472 9.832 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.561 8.457 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.628 9.164 -2.271 1.00 0.00 H new ATOM 1465 N PRO A 601 24.184 11.242 -2.248 1.00 0.00 N ATOM 1466 CA PRO A 601 25.093 12.348 -1.925 1.00 0.00 C ATOM 1467 C PRO A 601 24.353 13.663 -1.657 1.00 0.00 C ATOM 1468 O PRO A 601 24.946 14.632 -1.183 1.00 0.00 O ATOM 1469 CB PRO A 601 25.985 12.457 -3.166 1.00 0.00 C ATOM 1470 CG PRO A 601 25.231 11.766 -4.246 1.00 0.00 C ATOM 1471 CD PRO A 601 24.478 10.667 -3.567 1.00 0.00 C ATOM 0 HA PRO A 601 25.651 12.160 -1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.177 13.499 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.954 11.986 -2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.552 12.453 -4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.906 11.369 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.568 10.407 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 601 25.073 9.757 -3.488 1.00 0.00 H new ATOM 1479 N GLU A 602 23.055 13.693 -1.953 1.00 0.00 N ATOM 1480 CA GLU A 602 22.240 14.856 -1.631 1.00 0.00 C ATOM 1481 C GLU A 602 21.406 14.584 -0.380 1.00 0.00 C ATOM 1482 O GLU A 602 20.897 15.506 0.256 1.00 0.00 O ATOM 1483 CB GLU A 602 21.345 15.249 -2.813 1.00 0.00 C ATOM 1484 CG GLU A 602 20.135 14.356 -3.008 1.00 0.00 C ATOM 1485 CD GLU A 602 19.293 14.761 -4.202 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.703 15.860 -4.175 1.00 0.00 O ATOM 1487 OE2 GLU A 602 19.212 13.977 -5.172 1.00 0.00 O ATOM 0 H GLU A 602 22.552 12.933 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 602 22.904 15.696 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 602 21.005 16.275 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.942 15.235 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.466 13.325 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.520 14.384 -2.109 1.00 0.00 H new ATOM 1494 N GLY A 603 21.303 13.314 -0.014 1.00 0.00 N ATOM 1495 CA GLY A 603 20.548 12.955 1.161 1.00 0.00 C ATOM 1496 C GLY A 603 19.611 11.795 0.946 1.00 0.00 C ATOM 1497 O GLY A 603 19.597 11.173 -0.113 1.00 0.00 O ATOM 0 H GLY A 603 21.729 12.531 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.240 12.707 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.972 13.820 1.491 1.00 0.00 H new ATOM 1501 N LEU A 604 18.831 11.506 1.967 1.00 0.00 N ATOM 1502 CA LEU A 604 17.838 10.453 1.902 1.00 0.00 C ATOM 1503 C LEU A 604 16.673 10.871 1.033 1.00 0.00 C ATOM 1504 O LEU A 604 16.016 11.880 1.289 1.00 0.00 O ATOM 1505 CB LEU A 604 17.335 10.090 3.296 1.00 0.00 C ATOM 1506 CG LEU A 604 18.327 9.311 4.151 1.00 0.00 C ATOM 1507 CD1 LEU A 604 17.840 9.218 5.586 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.547 7.919 3.580 1.00 0.00 C ATOM 0 H LEU A 604 18.867 11.993 2.863 1.00 0.00 H new ATOM 0 HA LEU A 604 18.313 9.576 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 604 17.067 11.007 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.423 9.502 3.196 1.00 0.00 H new ATOM 0 HG LEU A 604 19.277 9.846 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.562 8.658 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.730 10.221 5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 604 16.877 8.708 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.258 7.378 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.600 7.380 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.941 7.999 2.567 1.00 0.00 H new ATOM 1520 N GLN A 605 16.432 10.089 0.011 1.00 0.00 N ATOM 1521 CA GLN A 605 15.326 10.332 -0.891 1.00 0.00 C ATOM 1522 C GLN A 605 14.627 9.014 -1.167 1.00 0.00 C ATOM 1523 O GLN A 605 15.269 7.959 -1.184 1.00 0.00 O ATOM 1524 CB GLN A 605 15.808 10.977 -2.180 1.00 0.00 C ATOM 1525 CG GLN A 605 16.649 10.061 -3.042 1.00 0.00 C ATOM 1526 CD GLN A 605 17.403 10.811 -4.113 1.00 0.00 C ATOM 1527 OE1 GLN A 605 17.566 10.327 -5.232 1.00 0.00 O ATOM 1528 NE2 GLN A 605 17.912 11.977 -3.761 1.00 0.00 N ATOM 0 H GLN A 605 16.992 9.269 -0.222 1.00 0.00 H new ATOM 0 HA GLN A 605 14.623 11.026 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.944 11.309 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 605 16.389 11.866 -1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.357 9.523 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 605 16.006 9.315 -3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 605 17.752 12.341 -2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.466 12.514 -4.428 1.00 0.00 H new ATOM 1537 N TRP A 606 13.320 9.050 -1.343 1.00 0.00 N ATOM 1538 CA TRP A 606 12.547 7.840 -1.527 1.00 0.00 C ATOM 1539 C TRP A 606 12.499 7.487 -3.004 1.00 0.00 C ATOM 1540 O TRP A 606 11.895 8.203 -3.806 1.00 0.00 O ATOM 1541 CB TRP A 606 11.134 8.013 -0.969 1.00 0.00 C ATOM 1542 CG TRP A 606 11.061 7.815 0.512 1.00 0.00 C ATOM 1543 CD1 TRP A 606 11.287 8.743 1.487 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.743 6.595 1.181 1.00 0.00 C ATOM 1545 NE1 TRP A 606 11.132 8.166 2.727 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.797 6.847 2.562 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.418 5.312 0.741 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.537 5.857 3.506 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.162 4.334 1.675 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.222 4.607 3.044 1.00 0.00 C ATOM 0 H TRP A 606 12.771 9.909 -1.362 1.00 0.00 H new ATOM 0 HA TRP A 606 13.026 7.026 -0.982 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.772 9.011 -1.215 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.467 7.303 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 606 11.548 9.776 1.312 1.00 0.00 H new ATOM 0 HE1 TRP A 606 11.247 8.642 3.622 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.368 5.090 -0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.582 6.067 4.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 9.910 3.337 1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 606 10.016 3.817 3.751 1.00 0.00 H new ATOM 1561 N VAL A 607 13.151 6.394 -3.364 1.00 0.00 N ATOM 1562 CA VAL A 607 13.226 5.980 -4.751 1.00 0.00 C ATOM 1563 C VAL A 607 12.097 5.019 -5.080 1.00 0.00 C ATOM 1564 O VAL A 607 11.886 4.024 -4.389 1.00 0.00 O ATOM 1565 CB VAL A 607 14.581 5.296 -5.052 1.00 0.00 C ATOM 1566 CG1 VAL A 607 14.707 4.966 -6.532 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.744 6.167 -4.589 1.00 0.00 C ATOM 0 H VAL A 607 13.636 5.778 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 607 13.135 6.873 -5.369 1.00 0.00 H new ATOM 0 HB VAL A 607 14.617 4.360 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 607 15.668 4.486 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 607 13.902 4.291 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.641 5.884 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.686 5.665 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.711 7.124 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.667 6.335 -3.515 1.00 0.00 H new ATOM 1577 N GLN A 608 11.366 5.348 -6.128 1.00 0.00 N ATOM 1578 CA GLN A 608 10.225 4.566 -6.558 1.00 0.00 C ATOM 1579 C GLN A 608 10.696 3.283 -7.229 1.00 0.00 C ATOM 1580 O GLN A 608 11.639 3.294 -8.022 1.00 0.00 O ATOM 1581 CB GLN A 608 9.354 5.370 -7.517 1.00 0.00 C ATOM 1582 CG GLN A 608 8.041 4.683 -7.836 1.00 0.00 C ATOM 1583 CD GLN A 608 7.101 5.559 -8.629 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.523 6.389 -9.433 1.00 0.00 O ATOM 1585 NE2 GLN A 608 5.816 5.388 -8.397 1.00 0.00 N ATOM 0 H GLN A 608 11.548 6.168 -6.706 1.00 0.00 H new ATOM 0 HA GLN A 608 9.629 4.311 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.150 6.348 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 608 9.903 5.541 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.241 3.770 -8.397 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.556 4.386 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 608 5.508 4.688 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.128 5.955 -8.893 1.00 0.00 H new ATOM 1594 N LEU A 609 10.045 2.181 -6.898 1.00 0.00 N ATOM 1595 CA LEU A 609 10.417 0.880 -7.416 1.00 0.00 C ATOM 1596 C LEU A 609 9.546 0.561 -8.620 1.00 0.00 C ATOM 1597 O LEU A 609 8.365 0.921 -8.639 1.00 0.00 O ATOM 1598 CB LEU A 609 10.195 -0.183 -6.338 1.00 0.00 C ATOM 1599 CG LEU A 609 10.968 0.035 -5.040 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.432 -0.866 -3.939 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.447 -0.221 -5.264 1.00 0.00 C ATOM 0 H LEU A 609 9.246 2.165 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 609 11.467 0.887 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.131 -0.225 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 609 10.470 -1.155 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 609 10.836 1.071 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 609 10.996 -0.695 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.380 -0.641 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 609 10.535 -1.909 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 609 12.989 -0.063 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 609 12.592 -1.248 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 609 12.824 0.464 -6.024 1.00 0.00 H new ATOM 1613 N SER A 610 10.101 -0.082 -9.635 1.00 0.00 N ATOM 1614 CA SER A 610 9.321 -0.571 -10.752 1.00 0.00 C ATOM 1615 C SER A 610 8.644 -1.869 -10.352 1.00 0.00 C ATOM 1616 O SER A 610 8.997 -2.459 -9.328 1.00 0.00 O ATOM 1617 CB SER A 610 10.232 -0.801 -11.957 1.00 0.00 C ATOM 1618 OG SER A 610 11.069 0.319 -12.179 1.00 0.00 O ATOM 0 H SER A 610 11.100 -0.277 -9.704 1.00 0.00 H new ATOM 0 HA SER A 610 8.563 0.164 -11.023 1.00 0.00 H new ATOM 0 HB2 SER A 610 10.842 -1.689 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 610 9.627 -0.990 -12.844 1.00 0.00 H new ATOM 0 HG SER A 610 11.644 0.149 -12.954 1.00 0.00 H new ATOM 1624 N ALA A 611 7.689 -2.317 -11.150 1.00 0.00 N ATOM 1625 CA ALA A 611 6.972 -3.551 -10.867 1.00 0.00 C ATOM 1626 C ALA A 611 7.931 -4.724 -10.692 1.00 0.00 C ATOM 1627 O ALA A 611 7.668 -5.637 -9.918 1.00 0.00 O ATOM 1628 CB ALA A 611 5.972 -3.845 -11.972 1.00 0.00 C ATOM 0 H ALA A 611 7.391 -1.843 -12.002 1.00 0.00 H new ATOM 0 HA ALA A 611 6.434 -3.418 -9.929 1.00 0.00 H new ATOM 0 HB1 ALA A 611 5.443 -4.771 -11.747 1.00 0.00 H new ATOM 0 HB2 ALA A 611 5.256 -3.026 -12.042 1.00 0.00 H new ATOM 0 HB3 ALA A 611 6.498 -3.949 -12.921 1.00 0.00 H new ATOM 1634 N GLU A 612 9.045 -4.690 -11.412 1.00 0.00 N ATOM 1635 CA GLU A 612 10.026 -5.766 -11.357 1.00 0.00 C ATOM 1636 C GLU A 612 10.894 -5.673 -10.097 1.00 0.00 C ATOM 1637 O GLU A 612 11.432 -6.678 -9.632 1.00 0.00 O ATOM 1638 CB GLU A 612 10.912 -5.720 -12.594 1.00 0.00 C ATOM 1639 CG GLU A 612 10.172 -5.978 -13.890 1.00 0.00 C ATOM 1640 CD GLU A 612 11.060 -5.784 -15.096 1.00 0.00 C ATOM 1641 OE1 GLU A 612 12.015 -6.572 -15.268 1.00 0.00 O ATOM 1642 OE2 GLU A 612 10.808 -4.847 -15.879 1.00 0.00 O ATOM 0 H GLU A 612 9.292 -3.927 -12.042 1.00 0.00 H new ATOM 0 HA GLU A 612 9.484 -6.711 -11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 612 11.391 -4.743 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 612 11.706 -6.459 -12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 612 9.781 -6.995 -13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 612 9.316 -5.307 -13.958 1.00 0.00 H new ATOM 1649 N GLU A 613 11.040 -4.467 -9.555 1.00 0.00 N ATOM 1650 CA GLU A 613 11.826 -4.258 -8.342 1.00 0.00 C ATOM 1651 C GLU A 613 11.001 -4.587 -7.108 1.00 0.00 C ATOM 1652 O GLU A 613 11.540 -4.986 -6.071 1.00 0.00 O ATOM 1653 CB GLU A 613 12.301 -2.811 -8.254 1.00 0.00 C ATOM 1654 CG GLU A 613 13.264 -2.405 -9.359 1.00 0.00 C ATOM 1655 CD GLU A 613 14.601 -3.109 -9.258 1.00 0.00 C ATOM 1656 OE1 GLU A 613 15.441 -2.681 -8.439 1.00 0.00 O ATOM 1657 OE2 GLU A 613 14.821 -4.092 -9.994 1.00 0.00 O ATOM 0 H GLU A 613 10.624 -3.618 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 613 12.691 -4.920 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 613 11.433 -2.153 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 613 12.785 -2.657 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 613 12.814 -2.626 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 613 13.422 -1.327 -9.320 1.00 0.00 H new ATOM 1664 N ILE A 614 9.696 -4.391 -7.240 1.00 0.00 N ATOM 1665 CA ILE A 614 8.740 -4.616 -6.159 1.00 0.00 C ATOM 1666 C ILE A 614 8.939 -5.968 -5.449 1.00 0.00 C ATOM 1667 O ILE A 614 9.196 -5.992 -4.244 1.00 0.00 O ATOM 1668 CB ILE A 614 7.292 -4.522 -6.697 1.00 0.00 C ATOM 1669 CG1 ILE A 614 6.935 -3.074 -7.035 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.305 -5.111 -5.709 1.00 0.00 C ATOM 1671 CD1 ILE A 614 5.525 -2.901 -7.560 1.00 0.00 C ATOM 0 H ILE A 614 9.265 -4.069 -8.107 1.00 0.00 H new ATOM 0 HA ILE A 614 8.919 -3.835 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 614 7.232 -5.108 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.059 -2.461 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 614 7.639 -2.700 -7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.295 -5.032 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 614 6.545 -6.160 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.363 -4.565 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.344 -1.848 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.402 -3.486 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 614 4.813 -3.244 -6.809 1.00 0.00 H new ATOM 1683 N PRO A 615 8.858 -7.104 -6.175 1.00 0.00 N ATOM 1684 CA PRO A 615 8.945 -8.438 -5.567 1.00 0.00 C ATOM 1685 C PRO A 615 10.260 -8.665 -4.843 1.00 0.00 C ATOM 1686 O PRO A 615 10.306 -9.377 -3.839 1.00 0.00 O ATOM 1687 CB PRO A 615 8.818 -9.396 -6.754 1.00 0.00 C ATOM 1688 CG PRO A 615 9.134 -8.570 -7.948 1.00 0.00 C ATOM 1689 CD PRO A 615 8.657 -7.193 -7.626 1.00 0.00 C ATOM 0 HA PRO A 615 8.175 -8.579 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 615 9.508 -10.235 -6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 615 7.814 -9.815 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.204 -8.575 -8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 615 8.636 -8.959 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.228 -6.433 -8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 615 7.610 -7.055 -7.898 1.00 0.00 H new ATOM 1697 N SER A 616 11.321 -8.033 -5.330 1.00 0.00 N ATOM 1698 CA SER A 616 12.635 -8.183 -4.727 1.00 0.00 C ATOM 1699 C SER A 616 12.640 -7.576 -3.328 1.00 0.00 C ATOM 1700 O SER A 616 13.218 -8.134 -2.395 1.00 0.00 O ATOM 1701 CB SER A 616 13.688 -7.505 -5.600 1.00 0.00 C ATOM 1702 OG SER A 616 13.579 -7.927 -6.949 1.00 0.00 O ATOM 0 H SER A 616 11.295 -7.413 -6.140 1.00 0.00 H new ATOM 0 HA SER A 616 12.872 -9.244 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 616 13.570 -6.423 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.683 -7.738 -5.222 1.00 0.00 H new ATOM 0 HG SER A 616 14.263 -7.478 -7.489 1.00 0.00 H new ATOM 1708 N ARG A 617 11.968 -6.437 -3.184 1.00 0.00 N ATOM 1709 CA ARG A 617 11.818 -5.783 -1.891 1.00 0.00 C ATOM 1710 C ARG A 617 10.848 -6.551 -1.005 1.00 0.00 C ATOM 1711 O ARG A 617 11.067 -6.687 0.201 1.00 0.00 O ATOM 1712 CB ARG A 617 11.349 -4.339 -2.061 1.00 0.00 C ATOM 1713 CG ARG A 617 12.483 -3.347 -2.255 1.00 0.00 C ATOM 1714 CD ARG A 617 13.285 -3.629 -3.515 1.00 0.00 C ATOM 1715 NE ARG A 617 14.350 -2.650 -3.692 1.00 0.00 N ATOM 1716 CZ ARG A 617 14.945 -2.380 -4.848 1.00 0.00 C ATOM 1717 NH1 ARG A 617 14.670 -3.103 -5.924 1.00 0.00 N ATOM 1718 NH2 ARG A 617 15.830 -1.394 -4.915 1.00 0.00 N ATOM 0 H ARG A 617 11.516 -5.946 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 617 12.795 -5.773 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 617 10.678 -4.283 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 617 10.770 -4.049 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.075 -2.337 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.145 -3.381 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 617 13.713 -4.630 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 617 12.624 -3.612 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 617 14.661 -2.135 -2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.000 -3.869 -5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.129 -2.893 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.050 -0.849 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 617 16.291 -1.181 -5.800 1.00 0.00 H new ATOM 1732 N ILE A 618 9.782 -7.058 -1.617 1.00 0.00 N ATOM 1733 CA ILE A 618 8.774 -7.827 -0.900 1.00 0.00 C ATOM 1734 C ILE A 618 9.404 -9.015 -0.189 1.00 0.00 C ATOM 1735 O ILE A 618 9.074 -9.302 0.954 1.00 0.00 O ATOM 1736 CB ILE A 618 7.668 -8.341 -1.846 1.00 0.00 C ATOM 1737 CG1 ILE A 618 6.903 -7.171 -2.466 1.00 0.00 C ATOM 1738 CG2 ILE A 618 6.718 -9.271 -1.106 1.00 0.00 C ATOM 1739 CD1 ILE A 618 5.785 -7.598 -3.393 1.00 0.00 C ATOM 0 H ILE A 618 9.595 -6.948 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 618 8.327 -7.154 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 618 8.141 -8.905 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 618 6.486 -6.557 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.602 -6.544 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 618 5.946 -9.622 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.274 -10.124 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.253 -8.734 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.288 -6.715 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.197 -8.187 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.064 -8.200 -2.840 1.00 0.00 H new ATOM 1751 N GLN A 619 10.324 -9.683 -0.869 1.00 0.00 N ATOM 1752 CA GLN A 619 11.012 -10.849 -0.321 1.00 0.00 C ATOM 1753 C GLN A 619 11.709 -10.536 0.998 1.00 0.00 C ATOM 1754 O GLN A 619 11.750 -11.374 1.897 1.00 0.00 O ATOM 1755 CB GLN A 619 12.013 -11.391 -1.332 1.00 0.00 C ATOM 1756 CG GLN A 619 11.347 -11.976 -2.561 1.00 0.00 C ATOM 1757 CD GLN A 619 10.529 -13.213 -2.245 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.044 -14.329 -2.263 1.00 0.00 O ATOM 1759 NE2 GLN A 619 9.250 -13.027 -1.962 1.00 0.00 N ATOM 0 H GLN A 619 10.616 -9.435 -1.814 1.00 0.00 H new ATOM 0 HA GLN A 619 10.257 -11.608 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 619 12.686 -10.589 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 619 12.625 -12.157 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 619 10.701 -11.223 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.109 -12.227 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 619 8.861 -12.084 -1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 619 8.653 -13.826 -1.748 1.00 0.00 H new ATOM 1768 N ALA A 620 12.231 -9.327 1.127 1.00 0.00 N ATOM 1769 CA ALA A 620 12.968 -8.936 2.320 1.00 0.00 C ATOM 1770 C ALA A 620 12.019 -8.582 3.456 1.00 0.00 C ATOM 1771 O ALA A 620 12.225 -8.991 4.598 1.00 0.00 O ATOM 1772 CB ALA A 620 13.885 -7.762 2.008 1.00 0.00 C ATOM 0 H ALA A 620 12.158 -8.597 0.419 1.00 0.00 H new ATOM 0 HA ALA A 620 13.575 -9.783 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.431 -7.478 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 620 14.592 -8.049 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.289 -6.917 1.663 1.00 0.00 H new ATOM 1778 N ILE A 621 10.973 -7.830 3.133 1.00 0.00 N ATOM 1779 CA ILE A 621 9.971 -7.449 4.124 1.00 0.00 C ATOM 1780 C ILE A 621 9.029 -8.613 4.392 1.00 0.00 C ATOM 1781 O ILE A 621 8.132 -8.535 5.235 1.00 0.00 O ATOM 1782 CB ILE A 621 9.154 -6.219 3.677 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.487 -6.466 2.323 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.044 -4.992 3.605 1.00 0.00 C ATOM 1785 CD1 ILE A 621 7.612 -5.319 1.870 1.00 0.00 C ATOM 0 H ILE A 621 10.796 -7.472 2.194 1.00 0.00 H new ATOM 0 HA ILE A 621 10.504 -7.185 5.037 1.00 0.00 H new ATOM 0 HB ILE A 621 8.372 -6.046 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.258 -6.644 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 621 7.884 -7.372 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.454 -4.132 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.473 -4.795 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 621 10.846 -5.166 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.169 -5.559 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 621 6.820 -5.155 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.215 -4.415 1.779 1.00 0.00 H new ATOM 1797 N THR A 622 9.245 -9.687 3.655 1.00 0.00 N ATOM 1798 CA THR A 622 8.496 -10.899 3.809 1.00 0.00 C ATOM 1799 C THR A 622 8.994 -11.674 5.028 1.00 0.00 C ATOM 1800 O THR A 622 10.174 -12.021 5.125 1.00 0.00 O ATOM 1801 CB THR A 622 8.599 -11.740 2.516 1.00 0.00 C ATOM 1802 OG1 THR A 622 7.544 -11.383 1.617 1.00 0.00 O ATOM 1803 CG2 THR A 622 8.569 -13.224 2.793 1.00 0.00 C ATOM 0 H THR A 622 9.957 -9.732 2.926 1.00 0.00 H new ATOM 0 HA THR A 622 7.445 -10.663 3.977 1.00 0.00 H new ATOM 0 HB THR A 622 9.563 -11.518 2.058 1.00 0.00 H new ATOM 0 HG1 THR A 622 7.700 -10.479 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 622 8.644 -13.771 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 622 9.407 -13.491 3.436 1.00 0.00 H new ATOM 0 HG23 THR A 622 7.634 -13.483 3.290 1.00 0.00 H new ATOM 1811 N GLY A 623 8.096 -11.892 5.974 1.00 0.00 N ATOM 1812 CA GLY A 623 8.431 -12.620 7.175 1.00 0.00 C ATOM 1813 C GLY A 623 7.215 -13.287 7.767 1.00 0.00 C ATOM 1814 O GLY A 623 6.721 -12.883 8.819 1.00 0.00 O ATOM 0 H GLY A 623 7.128 -11.572 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 623 9.187 -13.372 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 623 8.867 -11.939 7.906 1.00 0.00 H new ATOM 1818 N SER A 624 6.716 -14.296 7.079 1.00 0.00 N ATOM 1819 CA SER A 624 5.535 -15.007 7.522 1.00 0.00 C ATOM 1820 C SER A 624 5.852 -16.487 7.704 1.00 0.00 C ATOM 1821 O SER A 624 6.364 -16.853 8.783 1.00 0.00 O ATOM 1822 CB SER A 624 4.400 -14.808 6.516 1.00 0.00 C ATOM 1823 OG SER A 624 4.133 -13.426 6.320 1.00 0.00 O ATOM 1824 OXT SER A 624 5.609 -17.276 6.770 1.00 0.00 O ATOM 0 H SER A 624 7.114 -14.642 6.206 1.00 0.00 H new ATOM 0 HA SER A 624 5.214 -14.608 8.484 1.00 0.00 H new ATOM 0 HB2 SER A 624 4.666 -15.270 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 624 3.500 -15.309 6.873 1.00 0.00 H new ATOM 0 HG SER A 624 3.405 -13.322 5.672 1.00 0.00 H new TER 1830 SER A 624