USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 977 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: B 660 SER OG : rot -172:sc= 1.23 USER MOD Set 1.2: B 666 THR OG1 : rot -78:sc= 1.45 USER MOD Single : A 38 HIS : no HD1:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 39 SER OG : rot 65:sc= 1.6 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -157:sc= -0.0188 (180deg=-0.316) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 137:sc= 1.24 USER MOD Single : B 582 GLN : amide:sc= -0.0632 K(o=-0.063,f=-1.1) USER MOD Single : B 585 ASN : amide:sc= -3.68! C(o=-3.7!,f=-9.9!) USER MOD Single : B 589 LYS NZ :NH3+ 135:sc= 1.9 (180deg=-0.908) USER MOD Single : B 590 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.814) USER MOD Single : B 595 LYS NZ :NH3+ -137:sc= 1.22 (180deg=0.389) USER MOD Single : B 596 THR OG1 : rot -111:sc= -0.867! USER MOD Single : B 601 GLN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : B 602 SER OG : rot 88:sc= -2.12! USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 46:sc= 0.106 USER MOD Single : B 614 SER OG : rot 180:sc=-0.00353 USER MOD Single : B 615 THR OG1 : rot 180:sc= -2.46! USER MOD Single : B 622 SER OG : rot -153:sc= 1.25 USER MOD Single : B 623 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 624 SER OG : rot 180:sc= 0 USER MOD Single : B 631 GLN : amide:sc= -0.042 X(o=-0.042,f=-0.093) USER MOD Single : B 637 HIS : no HD1:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : B 640 GLN : amide:sc= 1.04 K(o=1,f=-0.74) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -3.7! C(o=-13!,f=-3.7!) USER MOD Single : B 659 SER OG : rot 180:sc= -1.18 USER MOD Single : B 661 CYS SG : rot 89:sc= -0.0211 USER MOD Single : B 662 CYS SG : rot 180:sc= 0.0974 USER MOD Single : B 667 SER OG : rot 180:sc= 0 USER MOD Single : B 668 GLN :FLIP amide:sc= -0.671 F(o=-1.7!,f=-0.67) USER MOD Single : B 674 CYS SG : rot 15:sc= -1.64 USER MOD Single : B 675 SER OG : rot 80:sc= 0.0181 USER MOD Single : B 676 LYS NZ :NH3+ -165:sc= -0.0299 (180deg=-0.226) USER MOD Single : B 678 SER OG : rot 180:sc= -1.11 USER MOD Single : B 683 CYS SG : rot 151:sc= -5.12! USER MOD Single : B 685 SER OG : rot 180:sc= 0 USER MOD Single : B 687 THR OG1 : rot -130:sc= -0.18 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PHE A 35 -15.297 -4.096 -4.955 1.00 0.00 N ATOM 20 CA PHE A 35 -14.103 -3.912 -5.751 1.00 0.00 C ATOM 21 C PHE A 35 -13.075 -4.958 -5.371 1.00 0.00 C ATOM 22 O PHE A 35 -12.928 -5.275 -4.186 1.00 0.00 O ATOM 23 CB PHE A 35 -13.529 -2.511 -5.541 1.00 0.00 C ATOM 24 CG PHE A 35 -14.119 -1.493 -6.466 1.00 0.00 C ATOM 25 CD1 PHE A 35 -15.468 -1.199 -6.423 1.00 0.00 C ATOM 26 CD2 PHE A 35 -13.323 -0.845 -7.390 1.00 0.00 C ATOM 27 CE1 PHE A 35 -16.015 -0.273 -7.283 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.862 0.082 -8.257 1.00 0.00 C ATOM 29 CZ PHE A 35 -15.210 0.370 -8.203 1.00 0.00 C ATOM 0 HA PHE A 35 -14.360 -4.023 -6.804 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -13.705 -2.203 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.449 -2.542 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -16.101 -1.701 -5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.267 -1.067 -7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.071 -0.050 -7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.230 0.581 -8.977 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.635 1.097 -8.879 1.00 0.00 H new ATOM 39 N PRO A 36 -12.381 -5.536 -6.366 1.00 0.00 N ATOM 40 CA PRO A 36 -11.287 -6.473 -6.117 1.00 0.00 C ATOM 41 C PRO A 36 -10.283 -5.859 -5.155 1.00 0.00 C ATOM 42 O PRO A 36 -9.800 -4.747 -5.395 1.00 0.00 O ATOM 43 CB PRO A 36 -10.666 -6.680 -7.500 1.00 0.00 C ATOM 44 CG PRO A 36 -11.757 -6.367 -8.462 1.00 0.00 C ATOM 45 CD PRO A 36 -12.610 -5.316 -7.807 1.00 0.00 C ATOM 0 HA PRO A 36 -11.614 -7.409 -5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.808 -6.025 -7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.311 -7.703 -7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.350 -6.005 -9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.343 -7.258 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.315 -4.312 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.662 -5.432 -8.069 1.00 0.00 H new ATOM 53 N TRP A 37 -9.980 -6.580 -4.077 1.00 0.00 N ATOM 54 CA TRP A 37 -9.241 -6.029 -2.949 1.00 0.00 C ATOM 55 C TRP A 37 -7.955 -5.296 -3.346 1.00 0.00 C ATOM 56 O TRP A 37 -7.520 -4.388 -2.636 1.00 0.00 O ATOM 57 CB TRP A 37 -8.947 -7.109 -1.908 1.00 0.00 C ATOM 58 CG TRP A 37 -8.304 -8.342 -2.458 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.910 -9.344 -3.158 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.937 -8.720 -2.320 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.996 -10.310 -3.485 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.777 -9.951 -2.978 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.828 -8.132 -1.712 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.555 -10.604 -3.039 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.616 -8.784 -1.776 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.489 -10.009 -2.435 1.00 0.00 C ATOM 0 H TRP A 37 -10.240 -7.560 -3.964 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.893 -5.274 -2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -8.298 -6.688 -1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.880 -7.388 -1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.958 -9.371 -3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -8.192 -11.157 -4.018 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.918 -7.185 -1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.452 -11.551 -3.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.749 -8.340 -1.309 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.525 -10.495 -2.466 1.00 0.00 H new ATOM 77 N HIS A 38 -7.336 -5.677 -4.467 1.00 0.00 N ATOM 78 CA HIS A 38 -6.202 -4.921 -4.989 1.00 0.00 C ATOM 79 C HIS A 38 -6.664 -3.565 -5.548 1.00 0.00 C ATOM 80 O HIS A 38 -6.658 -3.326 -6.752 1.00 0.00 O ATOM 81 CB HIS A 38 -5.439 -5.729 -6.053 1.00 0.00 C ATOM 82 CG HIS A 38 -6.234 -6.094 -7.279 1.00 0.00 C ATOM 83 ND1 HIS A 38 -6.105 -5.438 -8.486 1.00 0.00 N ATOM 84 CD2 HIS A 38 -7.150 -7.067 -7.484 1.00 0.00 C ATOM 85 CE1 HIS A 38 -6.905 -5.992 -9.376 1.00 0.00 C ATOM 86 NE2 HIS A 38 -7.552 -6.984 -8.793 1.00 0.00 N ATOM 0 H HIS A 38 -7.598 -6.492 -5.021 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.515 -4.730 -4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.566 -5.155 -6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.070 -6.646 -5.593 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.501 -7.779 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.013 -5.686 -10.406 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -8.239 -7.590 -9.242 1.00 0.00 H new ATOM 95 N SER A 39 -7.082 -2.684 -4.659 1.00 0.00 N ATOM 96 CA SER A 39 -7.594 -1.383 -5.052 1.00 0.00 C ATOM 97 C SER A 39 -6.812 -0.262 -4.360 1.00 0.00 C ATOM 98 O SER A 39 -6.848 0.893 -4.779 1.00 0.00 O ATOM 99 CB SER A 39 -9.089 -1.311 -4.698 1.00 0.00 C ATOM 100 OG SER A 39 -9.655 -0.049 -5.011 1.00 0.00 O ATOM 0 H SER A 39 -7.077 -2.847 -3.652 1.00 0.00 H new ATOM 0 HA SER A 39 -7.471 -1.251 -6.127 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.626 -2.092 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.219 -1.511 -3.634 1.00 0.00 H new ATOM 0 HG SER A 39 -9.628 0.090 -5.981 1.00 0.00 H new ATOM 106 N LEU A 40 -6.087 -0.623 -3.311 1.00 0.00 N ATOM 107 CA LEU A 40 -5.419 0.355 -2.452 1.00 0.00 C ATOM 108 C LEU A 40 -3.999 -0.091 -2.124 1.00 0.00 C ATOM 109 O LEU A 40 -3.271 0.610 -1.431 1.00 0.00 O ATOM 110 CB LEU A 40 -6.220 0.531 -1.161 1.00 0.00 C ATOM 111 CG LEU A 40 -7.327 -0.509 -0.954 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.534 -0.791 0.515 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.636 -0.036 -1.573 1.00 0.00 C ATOM 0 H LEU A 40 -5.943 -1.593 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.364 1.306 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.535 0.488 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.667 1.525 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.013 -1.428 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.324 -1.532 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.609 -1.174 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.818 0.129 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.407 -0.790 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.942 0.900 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.497 0.121 -2.643 1.00 0.00 H new ATOM 125 N VAL A 41 -3.610 -1.261 -2.621 1.00 0.00 N ATOM 126 CA VAL A 41 -2.282 -1.779 -2.382 1.00 0.00 C ATOM 127 C VAL A 41 -1.355 -1.408 -3.541 1.00 0.00 C ATOM 128 O VAL A 41 -1.524 -1.880 -4.667 1.00 0.00 O ATOM 129 CB VAL A 41 -2.309 -3.314 -2.163 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.043 -4.032 -3.289 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.904 -3.854 -2.021 1.00 0.00 C ATOM 0 H VAL A 41 -4.202 -1.864 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.896 -1.325 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.855 -3.504 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.040 -5.105 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.072 -3.675 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.543 -3.830 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.942 -4.933 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.337 -3.636 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.418 -3.383 -1.166 1.00 0.00 H new ATOM 141 N PRO A 42 -0.389 -0.519 -3.287 1.00 0.00 N ATOM 142 CA PRO A 42 0.554 -0.075 -4.299 1.00 0.00 C ATOM 143 C PRO A 42 1.767 -0.988 -4.380 1.00 0.00 C ATOM 144 O PRO A 42 1.967 -1.857 -3.529 1.00 0.00 O ATOM 145 CB PRO A 42 0.952 1.307 -3.793 1.00 0.00 C ATOM 146 CG PRO A 42 0.899 1.189 -2.308 1.00 0.00 C ATOM 147 CD PRO A 42 -0.131 0.127 -1.990 1.00 0.00 C ATOM 0 HA PRO A 42 0.132 -0.075 -5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.950 1.583 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.268 2.075 -4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.874 0.914 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.625 2.141 -1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.245 -0.586 -1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.039 0.564 -1.574 1.00 0.00 H new ATOM 155 N PHE A 43 2.573 -0.789 -5.402 1.00 0.00 N ATOM 156 CA PHE A 43 3.765 -1.587 -5.585 1.00 0.00 C ATOM 157 C PHE A 43 4.979 -0.684 -5.468 1.00 0.00 C ATOM 158 O PHE A 43 4.993 0.412 -6.027 1.00 0.00 O ATOM 159 CB PHE A 43 3.747 -2.275 -6.955 1.00 0.00 C ATOM 160 CG PHE A 43 2.380 -2.731 -7.390 1.00 0.00 C ATOM 161 CD1 PHE A 43 1.622 -3.578 -6.593 1.00 0.00 C ATOM 162 CD2 PHE A 43 1.852 -2.306 -8.598 1.00 0.00 C ATOM 163 CE1 PHE A 43 0.365 -3.988 -6.997 1.00 0.00 C ATOM 164 CE2 PHE A 43 0.597 -2.715 -9.006 1.00 0.00 C ATOM 165 CZ PHE A 43 -0.148 -3.556 -8.204 1.00 0.00 C ATOM 0 H PHE A 43 2.423 -0.080 -6.119 1.00 0.00 H new ATOM 0 HA PHE A 43 3.805 -2.362 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.145 -1.587 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.415 -3.136 -6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.018 -3.920 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.429 -1.646 -9.229 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.216 -4.646 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.199 -2.377 -9.951 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.130 -3.875 -8.520 1.00 0.00 H new ATOM 300 N LEU B 571 -18.021 9.625 -2.752 1.00 0.00 N ATOM 301 CA LEU B 571 -16.769 9.706 -3.474 1.00 0.00 C ATOM 302 C LEU B 571 -16.591 8.502 -4.417 1.00 0.00 C ATOM 303 O LEU B 571 -17.403 7.570 -4.389 1.00 0.00 O ATOM 304 CB LEU B 571 -15.630 9.812 -2.457 1.00 0.00 C ATOM 305 CG LEU B 571 -15.863 9.063 -1.147 1.00 0.00 C ATOM 306 CD1 LEU B 571 -16.090 7.593 -1.425 1.00 0.00 C ATOM 307 CD2 LEU B 571 -14.691 9.262 -0.204 1.00 0.00 C ATOM 0 HA LEU B 571 -16.763 10.592 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -14.717 9.434 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -15.462 10.865 -2.231 1.00 0.00 H new ATOM 0 HG LEU B 571 -16.754 9.465 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -16.255 7.066 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -16.964 7.475 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -15.215 7.178 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -14.875 8.721 0.724 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.781 8.884 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -14.574 10.324 0.012 1.00 0.00 H new ATOM 319 N PRO B 572 -15.563 8.515 -5.291 1.00 0.00 N ATOM 320 CA PRO B 572 -15.267 7.379 -6.170 1.00 0.00 C ATOM 321 C PRO B 572 -15.198 6.048 -5.407 1.00 0.00 C ATOM 322 O PRO B 572 -14.740 5.993 -4.269 1.00 0.00 O ATOM 323 CB PRO B 572 -13.908 7.732 -6.770 1.00 0.00 C ATOM 324 CG PRO B 572 -13.828 9.215 -6.711 1.00 0.00 C ATOM 325 CD PRO B 572 -14.643 9.644 -5.522 1.00 0.00 C ATOM 0 HA PRO B 572 -16.046 7.231 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.097 7.271 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -13.826 7.374 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.793 9.543 -6.610 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.216 9.660 -7.627 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -14.013 9.829 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.187 10.567 -5.723 1.00 0.00 H new ATOM 333 N PRO B 573 -15.667 4.961 -6.030 1.00 0.00 N ATOM 334 CA PRO B 573 -15.768 3.647 -5.384 1.00 0.00 C ATOM 335 C PRO B 573 -14.441 2.890 -5.307 1.00 0.00 C ATOM 336 O PRO B 573 -14.347 1.855 -4.654 1.00 0.00 O ATOM 337 CB PRO B 573 -16.744 2.910 -6.287 1.00 0.00 C ATOM 338 CG PRO B 573 -16.494 3.484 -7.634 1.00 0.00 C ATOM 339 CD PRO B 573 -16.161 4.930 -7.415 1.00 0.00 C ATOM 0 HA PRO B 573 -16.079 3.736 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.567 1.835 -6.273 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.776 3.067 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.674 2.966 -8.132 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.372 3.378 -8.272 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.405 5.279 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.036 5.568 -7.544 1.00 0.00 H new ATOM 347 N TYR B 574 -13.426 3.387 -5.989 1.00 0.00 N ATOM 348 CA TYR B 574 -12.112 2.741 -5.977 1.00 0.00 C ATOM 349 C TYR B 574 -11.229 3.316 -4.874 1.00 0.00 C ATOM 350 O TYR B 574 -10.753 4.441 -4.982 1.00 0.00 O ATOM 351 CB TYR B 574 -11.445 2.918 -7.335 1.00 0.00 C ATOM 352 CG TYR B 574 -10.133 2.190 -7.543 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.113 0.860 -7.943 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.918 2.842 -7.375 1.00 0.00 C ATOM 355 CE1 TYR B 574 -8.920 0.198 -8.160 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.721 2.188 -7.596 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.728 0.866 -7.986 1.00 0.00 C ATOM 358 OH TYR B 574 -6.537 0.211 -8.212 1.00 0.00 O ATOM 0 H TYR B 574 -13.478 4.232 -6.558 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.248 1.678 -5.776 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -12.144 2.588 -8.104 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -11.274 3.983 -7.495 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -11.046 0.335 -8.087 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.909 3.877 -7.067 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -8.922 -0.838 -8.465 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.785 2.710 -7.464 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.790 0.823 -8.046 1.00 0.00 H new ATOM 368 N PHE B 575 -11.083 2.543 -3.797 1.00 0.00 N ATOM 369 CA PHE B 575 -10.133 2.802 -2.699 1.00 0.00 C ATOM 370 C PHE B 575 -10.456 4.046 -1.864 1.00 0.00 C ATOM 371 O PHE B 575 -9.964 4.176 -0.746 1.00 0.00 O ATOM 372 CB PHE B 575 -8.674 2.812 -3.211 1.00 0.00 C ATOM 373 CG PHE B 575 -7.984 4.146 -3.280 1.00 0.00 C ATOM 374 CD1 PHE B 575 -7.291 4.636 -2.185 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.997 4.891 -4.444 1.00 0.00 C ATOM 376 CE1 PHE B 575 -6.635 5.845 -2.250 1.00 0.00 C ATOM 377 CE2 PHE B 575 -7.340 6.099 -4.517 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.661 6.576 -3.418 1.00 0.00 C ATOM 0 H PHE B 575 -11.633 1.696 -3.655 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.248 1.966 -2.009 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.085 2.159 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.662 2.372 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -7.265 4.063 -1.270 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -8.529 4.521 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -6.102 6.219 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -7.357 6.671 -5.433 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.148 7.525 -3.472 1.00 0.00 H new ATOM 388 N MET B 576 -11.275 4.943 -2.385 1.00 0.00 N ATOM 389 CA MET B 576 -11.714 6.104 -1.620 1.00 0.00 C ATOM 390 C MET B 576 -12.510 5.652 -0.393 1.00 0.00 C ATOM 391 O MET B 576 -13.062 4.546 -0.372 1.00 0.00 O ATOM 392 CB MET B 576 -12.573 7.019 -2.490 1.00 0.00 C ATOM 393 CG MET B 576 -11.974 7.315 -3.853 1.00 0.00 C ATOM 394 SD MET B 576 -10.385 8.152 -3.771 1.00 0.00 S ATOM 395 CE MET B 576 -9.956 8.201 -5.510 1.00 0.00 C ATOM 0 H MET B 576 -11.650 4.893 -3.332 1.00 0.00 H new ATOM 0 HA MET B 576 -10.835 6.658 -1.291 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.552 6.559 -2.627 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.733 7.959 -1.963 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.855 6.380 -4.400 1.00 0.00 H new ATOM 0 HG3 MET B 576 -12.671 7.930 -4.422 1.00 0.00 H new ATOM 0 HE1 MET B 576 -8.876 8.299 -5.616 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.286 7.281 -5.992 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.446 9.053 -5.982 1.00 0.00 H new ATOM 405 N LYS B 577 -12.571 6.512 0.619 1.00 0.00 N ATOM 406 CA LYS B 577 -13.182 6.164 1.902 1.00 0.00 C ATOM 407 C LYS B 577 -14.620 5.679 1.755 1.00 0.00 C ATOM 408 O LYS B 577 -15.470 6.372 1.206 1.00 0.00 O ATOM 409 CB LYS B 577 -13.179 7.365 2.842 1.00 0.00 C ATOM 410 CG LYS B 577 -13.714 7.038 4.227 1.00 0.00 C ATOM 411 CD LYS B 577 -13.897 8.285 5.071 1.00 0.00 C ATOM 412 CE LYS B 577 -14.353 7.939 6.477 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.524 9.150 7.318 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.202 7.462 0.576 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.581 5.352 2.312 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.162 7.746 2.932 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -13.780 8.162 2.405 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.668 6.519 4.135 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.028 6.357 4.730 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -12.958 8.837 5.117 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.629 8.941 4.600 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.296 7.394 6.429 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -13.625 7.274 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -14.836 8.870 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.618 9.657 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -15.238 9.773 6.889 1.00 0.00 H new ATOM 427 N GLY B 578 -14.891 4.498 2.276 1.00 0.00 N ATOM 428 CA GLY B 578 -16.245 3.996 2.289 1.00 0.00 C ATOM 429 C GLY B 578 -16.464 2.887 1.293 1.00 0.00 C ATOM 430 O GLY B 578 -17.478 2.194 1.349 1.00 0.00 O ATOM 0 H GLY B 578 -14.197 3.876 2.691 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.484 3.633 3.289 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -16.933 4.813 2.074 1.00 0.00 H new ATOM 434 N SER B 579 -15.524 2.719 0.372 1.00 0.00 N ATOM 435 CA SER B 579 -15.598 1.625 -0.580 1.00 0.00 C ATOM 436 C SER B 579 -15.618 0.294 0.151 1.00 0.00 C ATOM 437 O SER B 579 -14.909 0.103 1.145 1.00 0.00 O ATOM 438 CB SER B 579 -14.418 1.667 -1.550 1.00 0.00 C ATOM 439 OG SER B 579 -14.432 0.548 -2.419 1.00 0.00 O ATOM 0 H SER B 579 -14.708 3.322 0.266 1.00 0.00 H new ATOM 0 HA SER B 579 -16.520 1.734 -1.151 1.00 0.00 H new ATOM 0 HB2 SER B 579 -14.457 2.586 -2.135 1.00 0.00 H new ATOM 0 HB3 SER B 579 -13.483 1.685 -0.990 1.00 0.00 H new ATOM 0 HG SER B 579 -14.230 0.840 -3.332 1.00 0.00 H new ATOM 445 N ILE B 580 -16.449 -0.612 -0.328 1.00 0.00 N ATOM 446 CA ILE B 580 -16.504 -1.945 0.227 1.00 0.00 C ATOM 447 C ILE B 580 -15.564 -2.842 -0.555 1.00 0.00 C ATOM 448 O ILE B 580 -15.859 -3.266 -1.678 1.00 0.00 O ATOM 449 CB ILE B 580 -17.935 -2.522 0.227 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.823 -1.735 1.200 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.920 -4.001 0.588 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.301 -1.713 2.624 1.00 0.00 C ATOM 0 H ILE B 580 -17.094 -0.446 -1.100 1.00 0.00 H new ATOM 0 HA ILE B 580 -16.192 -1.895 1.270 1.00 0.00 H new ATOM 0 HB ILE B 580 -18.348 -2.425 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.918 -0.710 0.842 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.823 -2.168 1.196 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.939 -4.387 0.582 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -17.321 -4.547 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.489 -4.129 1.581 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.982 -1.138 3.252 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.232 -2.733 3.002 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.314 -1.252 2.642 1.00 0.00 H new ATOM 464 N ILE B 581 -14.421 -3.088 0.041 1.00 0.00 N ATOM 465 CA ILE B 581 -13.361 -3.827 -0.601 1.00 0.00 C ATOM 466 C ILE B 581 -13.526 -5.317 -0.317 1.00 0.00 C ATOM 467 O ILE B 581 -13.655 -5.723 0.842 1.00 0.00 O ATOM 468 CB ILE B 581 -11.991 -3.340 -0.089 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.901 -1.809 -0.133 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.874 -3.945 -0.905 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.919 -1.214 -1.525 1.00 0.00 C ATOM 0 H ILE B 581 -14.200 -2.780 0.988 1.00 0.00 H new ATOM 0 HA ILE B 581 -13.412 -3.661 -1.677 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.887 -3.663 0.947 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.733 -1.393 0.436 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.985 -1.498 0.369 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.915 -3.590 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.914 -5.032 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.986 -3.651 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.851 -0.128 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -11.072 -1.596 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.847 -1.489 -2.026 1.00 0.00 H new ATOM 483 N GLN B 582 -13.544 -6.121 -1.371 1.00 0.00 N ATOM 484 CA GLN B 582 -13.737 -7.554 -1.221 1.00 0.00 C ATOM 485 C GLN B 582 -12.421 -8.291 -1.324 1.00 0.00 C ATOM 486 O GLN B 582 -11.728 -8.213 -2.337 1.00 0.00 O ATOM 487 CB GLN B 582 -14.706 -8.089 -2.269 1.00 0.00 C ATOM 488 CG GLN B 582 -14.836 -9.611 -2.256 1.00 0.00 C ATOM 489 CD GLN B 582 -15.451 -10.161 -3.528 1.00 0.00 C ATOM 490 OE1 GLN B 582 -15.271 -9.605 -4.610 1.00 0.00 O ATOM 491 NE2 GLN B 582 -16.189 -11.253 -3.406 1.00 0.00 N ATOM 0 H GLN B 582 -13.428 -5.806 -2.334 1.00 0.00 H new ATOM 0 HA GLN B 582 -14.161 -7.724 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.688 -7.647 -2.104 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -14.374 -7.769 -3.257 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.850 -10.054 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -15.446 -9.911 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -16.314 -11.684 -2.490 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.633 -11.663 -4.228 1.00 0.00 H new ATOM 500 N LEU B 583 -12.099 -9.018 -0.273 1.00 0.00 N ATOM 501 CA LEU B 583 -10.859 -9.762 -0.202 1.00 0.00 C ATOM 502 C LEU B 583 -10.969 -11.079 -0.950 1.00 0.00 C ATOM 503 O LEU B 583 -12.061 -11.487 -1.348 1.00 0.00 O ATOM 504 CB LEU B 583 -10.507 -10.024 1.249 1.00 0.00 C ATOM 505 CG LEU B 583 -10.435 -8.783 2.123 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.087 -9.180 3.545 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.417 -7.800 1.557 1.00 0.00 C ATOM 0 H LEU B 583 -12.689 -9.109 0.554 1.00 0.00 H new ATOM 0 HA LEU B 583 -10.074 -9.169 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -11.247 -10.705 1.670 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.545 -10.535 1.288 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.406 -8.288 2.133 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -10.036 -8.288 4.170 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.853 -9.852 3.933 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.122 -9.686 3.556 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.374 -6.915 2.192 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.435 -8.271 1.525 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.713 -7.510 0.549 1.00 0.00 H new ATOM 519 N ALA B 584 -9.843 -11.760 -1.112 1.00 0.00 N ATOM 520 CA ALA B 584 -9.821 -13.012 -1.847 1.00 0.00 C ATOM 521 C ALA B 584 -10.568 -14.099 -1.087 1.00 0.00 C ATOM 522 O ALA B 584 -11.066 -15.054 -1.680 1.00 0.00 O ATOM 523 CB ALA B 584 -8.396 -13.457 -2.127 1.00 0.00 C ATOM 0 H ALA B 584 -8.938 -11.466 -0.745 1.00 0.00 H new ATOM 0 HA ALA B 584 -10.323 -12.844 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.410 -14.397 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.887 -12.697 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.867 -13.597 -1.184 1.00 0.00 H new ATOM 529 N ASN B 585 -10.646 -13.943 0.230 1.00 0.00 N ATOM 530 CA ASN B 585 -11.353 -14.895 1.073 1.00 0.00 C ATOM 531 C ASN B 585 -12.848 -14.578 1.098 1.00 0.00 C ATOM 532 O ASN B 585 -13.637 -15.297 1.713 1.00 0.00 O ATOM 533 CB ASN B 585 -10.779 -14.885 2.495 1.00 0.00 C ATOM 534 CG ASN B 585 -11.048 -13.596 3.246 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.242 -12.544 2.646 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.042 -13.672 4.565 1.00 0.00 N ATOM 0 H ASN B 585 -10.226 -13.163 0.736 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.218 -15.892 0.655 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.203 -15.718 3.055 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.703 -15.049 2.445 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.203 -12.835 5.125 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -10.876 -14.568 5.023 1.00 0.00 H new ATOM 543 N GLY B 586 -13.228 -13.486 0.434 1.00 0.00 N ATOM 544 CA GLY B 586 -14.628 -13.155 0.284 1.00 0.00 C ATOM 545 C GLY B 586 -15.099 -12.067 1.231 1.00 0.00 C ATOM 546 O GLY B 586 -16.266 -11.675 1.185 1.00 0.00 O ATOM 0 H GLY B 586 -12.584 -12.826 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.809 -12.836 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -15.225 -14.052 0.449 1.00 0.00 H new ATOM 550 N GLU B 587 -14.210 -11.571 2.084 1.00 0.00 N ATOM 551 CA GLU B 587 -14.595 -10.559 3.059 1.00 0.00 C ATOM 552 C GLU B 587 -14.923 -9.236 2.418 1.00 0.00 C ATOM 553 O GLU B 587 -14.329 -8.841 1.419 1.00 0.00 O ATOM 554 CB GLU B 587 -13.522 -10.354 4.105 1.00 0.00 C ATOM 555 CG GLU B 587 -13.405 -11.521 5.042 1.00 0.00 C ATOM 556 CD GLU B 587 -12.688 -11.181 6.326 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.302 -10.534 7.202 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.510 -11.568 6.469 1.00 0.00 O ATOM 0 H GLU B 587 -13.229 -11.849 2.120 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.496 -10.940 3.540 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -12.564 -10.190 3.611 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -13.744 -9.453 4.677 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -14.403 -11.892 5.277 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.875 -12.330 4.540 1.00 0.00 H new ATOM 565 N LEU B 588 -15.872 -8.560 3.027 1.00 0.00 N ATOM 566 CA LEU B 588 -16.354 -7.283 2.541 1.00 0.00 C ATOM 567 C LEU B 588 -16.172 -6.227 3.614 1.00 0.00 C ATOM 568 O LEU B 588 -16.993 -6.100 4.521 1.00 0.00 O ATOM 569 CB LEU B 588 -17.821 -7.416 2.164 1.00 0.00 C ATOM 570 CG LEU B 588 -18.114 -8.583 1.228 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.603 -8.693 0.961 1.00 0.00 C ATOM 572 CD2 LEU B 588 -17.337 -8.421 -0.067 1.00 0.00 C ATOM 0 H LEU B 588 -16.334 -8.881 3.878 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.787 -6.981 1.660 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.410 -7.535 3.073 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -18.150 -6.491 1.690 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.793 -9.508 1.707 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.792 -9.532 0.291 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -20.130 -8.854 1.901 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.959 -7.772 0.499 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.553 -9.260 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.630 -7.490 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -16.269 -8.396 0.150 1.00 0.00 H new ATOM 584 N LYS B 589 -15.088 -5.482 3.515 1.00 0.00 N ATOM 585 CA LYS B 589 -14.693 -4.576 4.575 1.00 0.00 C ATOM 586 C LYS B 589 -14.420 -3.186 4.021 1.00 0.00 C ATOM 587 O LYS B 589 -13.990 -3.035 2.879 1.00 0.00 O ATOM 588 CB LYS B 589 -13.444 -5.135 5.264 1.00 0.00 C ATOM 589 CG LYS B 589 -13.601 -6.587 5.697 1.00 0.00 C ATOM 590 CD LYS B 589 -12.300 -7.205 6.193 1.00 0.00 C ATOM 591 CE LYS B 589 -11.938 -6.744 7.596 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.182 -5.465 7.599 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.464 -5.487 2.708 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.503 -4.491 5.299 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.595 -5.054 4.585 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.214 -4.524 6.137 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.349 -6.646 6.488 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.978 -7.172 4.858 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.389 -8.291 6.182 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.493 -6.945 5.508 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.849 -6.625 8.182 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.343 -7.515 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -11.569 -4.835 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -10.180 -5.655 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.267 -5.009 6.668 1.00 0.00 H new ATOM 606 N LYS B 590 -14.696 -2.174 4.835 1.00 0.00 N ATOM 607 CA LYS B 590 -14.431 -0.792 4.465 1.00 0.00 C ATOM 608 C LYS B 590 -12.944 -0.567 4.245 1.00 0.00 C ATOM 609 O LYS B 590 -12.126 -1.129 4.980 1.00 0.00 O ATOM 610 CB LYS B 590 -14.926 0.153 5.560 1.00 0.00 C ATOM 611 CG LYS B 590 -16.426 0.364 5.574 1.00 0.00 C ATOM 612 CD LYS B 590 -16.836 1.456 4.603 1.00 0.00 C ATOM 613 CE LYS B 590 -17.700 2.501 5.289 1.00 0.00 C ATOM 614 NZ LYS B 590 -16.975 3.185 6.396 1.00 0.00 N1+ ATOM 0 H LYS B 590 -15.106 -2.288 5.762 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.962 -0.585 3.536 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.618 -0.240 6.529 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.437 1.119 5.438 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.929 -0.567 5.312 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.749 0.629 6.581 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -15.947 1.930 4.188 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -17.383 1.018 3.768 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.025 3.240 4.557 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.599 2.027 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -17.401 4.119 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -17.042 2.612 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -15.975 3.302 6.136 1.00 0.00 H new ATOM 628 N VAL B 591 -12.598 0.242 3.245 1.00 0.00 N ATOM 629 CA VAL B 591 -11.194 0.523 2.925 1.00 0.00 C ATOM 630 C VAL B 591 -10.401 0.849 4.186 1.00 0.00 C ATOM 631 O VAL B 591 -9.329 0.302 4.439 1.00 0.00 O ATOM 632 CB VAL B 591 -11.046 1.734 1.991 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.636 1.794 1.442 1.00 0.00 C ATOM 634 CG2 VAL B 591 -12.062 1.712 0.872 1.00 0.00 C ATOM 0 H VAL B 591 -13.269 0.716 2.640 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.816 -0.377 2.440 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.238 2.634 2.575 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.539 2.655 0.781 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.928 1.888 2.266 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.424 0.882 0.884 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.922 2.586 0.236 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.931 0.807 0.279 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.067 1.728 1.293 1.00 0.00 H new ATOM 644 N GLU B 592 -10.986 1.728 4.980 1.00 0.00 N ATOM 645 CA GLU B 592 -10.342 2.311 6.147 1.00 0.00 C ATOM 646 C GLU B 592 -10.119 1.290 7.266 1.00 0.00 C ATOM 647 O GLU B 592 -9.395 1.561 8.228 1.00 0.00 O ATOM 648 CB GLU B 592 -11.234 3.441 6.652 1.00 0.00 C ATOM 649 CG GLU B 592 -12.640 2.961 6.989 1.00 0.00 C ATOM 650 CD GLU B 592 -13.684 4.053 6.919 1.00 0.00 C ATOM 651 OE1 GLU B 592 -13.767 4.862 7.866 1.00 0.00 O1- ATOM 652 OE2 GLU B 592 -14.438 4.093 5.924 1.00 0.00 O ATOM 0 H GLU B 592 -11.938 2.063 4.831 1.00 0.00 H new ATOM 0 HA GLU B 592 -9.357 2.676 5.857 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.783 3.889 7.538 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -11.291 4.222 5.894 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.916 2.161 6.302 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.639 2.534 7.992 1.00 0.00 H new ATOM 659 N ASP B 593 -10.744 0.129 7.150 1.00 0.00 N ATOM 660 CA ASP B 593 -10.700 -0.868 8.213 1.00 0.00 C ATOM 661 C ASP B 593 -9.881 -2.081 7.805 1.00 0.00 C ATOM 662 O ASP B 593 -9.536 -2.918 8.641 1.00 0.00 O ATOM 663 CB ASP B 593 -12.128 -1.290 8.593 1.00 0.00 C ATOM 664 CG ASP B 593 -12.170 -2.461 9.558 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.924 -2.253 10.764 1.00 0.00 O1- ATOM 666 OD2 ASP B 593 -12.439 -3.597 9.112 1.00 0.00 O ATOM 0 H ASP B 593 -11.288 -0.148 6.333 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.215 -0.419 9.079 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.644 -0.440 9.040 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.675 -1.554 7.688 1.00 0.00 H new ATOM 671 N LEU B 594 -9.565 -2.170 6.527 1.00 0.00 N ATOM 672 CA LEU B 594 -8.768 -3.269 6.020 1.00 0.00 C ATOM 673 C LEU B 594 -7.432 -3.334 6.738 1.00 0.00 C ATOM 674 O LEU B 594 -6.646 -2.385 6.712 1.00 0.00 O ATOM 675 CB LEU B 594 -8.553 -3.111 4.523 1.00 0.00 C ATOM 676 CG LEU B 594 -9.831 -3.110 3.691 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.563 -2.488 2.348 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.365 -4.518 3.504 1.00 0.00 C ATOM 0 H LEU B 594 -9.849 -1.492 5.820 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.304 -4.200 6.204 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -8.018 -2.178 4.343 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.910 -3.919 4.175 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.583 -2.527 4.223 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.479 -2.489 1.757 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.221 -1.462 2.484 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.795 -3.061 1.828 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.276 -4.485 2.907 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.618 -5.126 2.993 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.585 -4.956 4.478 1.00 0.00 H new ATOM 690 N LYS B 595 -7.203 -4.443 7.407 1.00 0.00 N ATOM 691 CA LYS B 595 -5.961 -4.658 8.108 1.00 0.00 C ATOM 692 C LYS B 595 -4.958 -5.260 7.148 1.00 0.00 C ATOM 693 O LYS B 595 -5.346 -5.842 6.136 1.00 0.00 O ATOM 694 CB LYS B 595 -6.161 -5.587 9.309 1.00 0.00 C ATOM 695 CG LYS B 595 -7.228 -5.118 10.289 1.00 0.00 C ATOM 696 CD LYS B 595 -6.908 -3.749 10.865 1.00 0.00 C ATOM 697 CE LYS B 595 -7.935 -3.320 11.902 1.00 0.00 C ATOM 698 NZ LYS B 595 -9.317 -3.324 11.353 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.868 -5.213 7.479 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.594 -3.703 8.483 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.428 -6.580 8.946 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.214 -5.686 9.840 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.194 -5.083 9.784 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.318 -5.841 11.100 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.918 -3.768 11.320 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.875 -3.014 10.060 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -7.884 -3.989 12.761 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.691 -2.321 12.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -9.818 -2.469 11.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -9.278 -3.338 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -9.823 -4.167 11.692 1.00 0.00 H new ATOM 712 N THR B 596 -3.683 -5.127 7.443 1.00 0.00 N ATOM 713 CA THR B 596 -2.663 -5.705 6.589 1.00 0.00 C ATOM 714 C THR B 596 -2.856 -7.218 6.488 1.00 0.00 C ATOM 715 O THR B 596 -2.685 -7.813 5.420 1.00 0.00 O ATOM 716 CB THR B 596 -1.252 -5.372 7.101 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.280 -5.933 6.228 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.041 -5.900 8.511 1.00 0.00 C ATOM 0 H THR B 596 -3.328 -4.629 8.259 1.00 0.00 H new ATOM 0 HA THR B 596 -2.765 -5.270 5.595 1.00 0.00 H new ATOM 0 HB THR B 596 -1.144 -4.288 7.123 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.188 -6.663 6.685 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.035 -5.650 8.846 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.770 -5.447 9.182 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.166 -6.983 8.517 1.00 0.00 H new ATOM 726 N GLU B 597 -3.279 -7.816 7.599 1.00 0.00 N ATOM 727 CA GLU B 597 -3.543 -9.244 7.671 1.00 0.00 C ATOM 728 C GLU B 597 -4.630 -9.646 6.680 1.00 0.00 C ATOM 729 O GLU B 597 -4.662 -10.780 6.206 1.00 0.00 O ATOM 730 CB GLU B 597 -3.944 -9.628 9.093 1.00 0.00 C ATOM 731 CG GLU B 597 -2.889 -9.272 10.132 1.00 0.00 C ATOM 732 CD GLU B 597 -3.280 -9.690 11.534 1.00 0.00 C ATOM 733 OE1 GLU B 597 -3.571 -10.886 11.739 1.00 0.00 O ATOM 734 OE2 GLU B 597 -3.282 -8.830 12.441 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.448 -7.320 8.474 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.632 -9.780 7.405 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -4.878 -9.128 9.348 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.136 -10.700 9.132 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -1.947 -9.751 9.865 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.716 -8.196 10.114 1.00 0.00 H new ATOM 741 N ASP B 598 -5.517 -8.708 6.372 1.00 0.00 N ATOM 742 CA ASP B 598 -6.594 -8.951 5.420 1.00 0.00 C ATOM 743 C ASP B 598 -6.022 -9.194 4.030 1.00 0.00 C ATOM 744 O ASP B 598 -6.405 -10.145 3.343 1.00 0.00 O ATOM 745 CB ASP B 598 -7.571 -7.769 5.377 1.00 0.00 C ATOM 746 CG ASP B 598 -8.354 -7.587 6.665 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.513 -8.567 7.419 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.824 -6.458 6.927 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.512 -7.769 6.769 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.138 -9.837 5.748 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -7.015 -6.855 5.166 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.270 -7.914 4.553 1.00 0.00 H new ATOM 753 N PHE B 599 -5.093 -8.337 3.618 1.00 0.00 N ATOM 754 CA PHE B 599 -4.462 -8.483 2.314 1.00 0.00 C ATOM 755 C PHE B 599 -3.507 -9.655 2.316 1.00 0.00 C ATOM 756 O PHE B 599 -3.416 -10.381 1.325 1.00 0.00 O ATOM 757 CB PHE B 599 -3.732 -7.208 1.876 1.00 0.00 C ATOM 758 CG PHE B 599 -4.661 -6.147 1.354 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.877 -5.898 1.972 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.324 -5.414 0.230 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.738 -4.941 1.477 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.180 -4.450 -0.268 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.390 -4.215 0.355 1.00 0.00 C ATOM 0 H PHE B 599 -4.764 -7.541 4.164 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.258 -8.668 1.593 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.172 -6.808 2.721 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -3.006 -7.459 1.103 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -6.153 -6.460 2.852 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.381 -5.597 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.683 -4.760 1.966 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.903 -3.881 -1.143 1.00 0.00 H new ATOM 0 HZ PHE B 599 -7.063 -3.465 -0.034 1.00 0.00 H new ATOM 773 N ILE B 600 -2.793 -9.835 3.426 1.00 0.00 N ATOM 774 CA ILE B 600 -1.916 -10.979 3.579 1.00 0.00 C ATOM 775 C ILE B 600 -2.656 -12.267 3.265 1.00 0.00 C ATOM 776 O ILE B 600 -2.285 -12.996 2.349 1.00 0.00 O ATOM 777 CB ILE B 600 -1.357 -11.050 5.006 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.401 -9.887 5.249 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.667 -12.382 5.248 1.00 0.00 C ATOM 780 CD1 ILE B 600 0.129 -9.824 6.661 1.00 0.00 C ATOM 0 H ILE B 600 -2.809 -9.202 4.226 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.090 -10.859 2.878 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.184 -10.972 5.712 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.438 -9.967 4.558 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.914 -8.953 5.020 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.278 -12.411 6.266 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.382 -13.193 5.110 1.00 0.00 H new ATOM 0 HG23 ILE B 600 0.155 -12.499 4.542 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.802 -8.972 6.759 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.702 -9.712 7.357 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.671 -10.742 6.888 1.00 0.00 H new ATOM 792 N GLN B 601 -3.731 -12.512 4.000 1.00 0.00 N ATOM 793 CA GLN B 601 -4.533 -13.706 3.808 1.00 0.00 C ATOM 794 C GLN B 601 -4.999 -13.817 2.370 1.00 0.00 C ATOM 795 O GLN B 601 -4.812 -14.843 1.735 1.00 0.00 O ATOM 796 CB GLN B 601 -5.739 -13.697 4.743 1.00 0.00 C ATOM 797 CG GLN B 601 -5.363 -13.805 6.205 1.00 0.00 C ATOM 798 CD GLN B 601 -6.562 -13.710 7.126 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.176 -14.718 7.474 1.00 0.00 O ATOM 800 NE2 GLN B 601 -6.908 -12.495 7.520 1.00 0.00 N ATOM 0 H GLN B 601 -4.067 -11.894 4.739 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.910 -14.570 4.041 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.304 -12.778 4.587 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.398 -14.525 4.482 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -4.853 -14.753 6.376 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.656 -13.014 6.453 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.371 -11.686 7.208 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.711 -12.368 8.136 1.00 0.00 H new ATOM 809 N SER B 602 -5.571 -12.744 1.851 1.00 0.00 N ATOM 810 CA SER B 602 -6.128 -12.755 0.508 1.00 0.00 C ATOM 811 C SER B 602 -5.084 -13.150 -0.540 1.00 0.00 C ATOM 812 O SER B 602 -5.383 -13.887 -1.481 1.00 0.00 O ATOM 813 CB SER B 602 -6.716 -11.389 0.183 1.00 0.00 C ATOM 814 OG SER B 602 -7.705 -11.037 1.127 1.00 0.00 O ATOM 0 H SER B 602 -5.662 -11.853 2.339 1.00 0.00 H new ATOM 0 HA SER B 602 -6.917 -13.507 0.478 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.926 -10.638 0.179 1.00 0.00 H new ATOM 0 HB3 SER B 602 -7.148 -11.402 -0.817 1.00 0.00 H new ATOM 0 HG SER B 602 -7.285 -10.579 1.885 1.00 0.00 H new ATOM 820 N ALA B 603 -3.861 -12.677 -0.365 1.00 0.00 N ATOM 821 CA ALA B 603 -2.791 -12.989 -1.298 1.00 0.00 C ATOM 822 C ALA B 603 -2.286 -14.411 -1.091 1.00 0.00 C ATOM 823 O ALA B 603 -1.925 -15.094 -2.042 1.00 0.00 O ATOM 824 CB ALA B 603 -1.652 -12.001 -1.137 1.00 0.00 C ATOM 0 H ALA B 603 -3.585 -12.077 0.412 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.188 -12.912 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.856 -12.245 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -2.015 -10.992 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.265 -12.055 -0.119 1.00 0.00 H new ATOM 830 N GLU B 604 -2.285 -14.854 0.156 1.00 0.00 N ATOM 831 CA GLU B 604 -1.752 -16.163 0.510 1.00 0.00 C ATOM 832 C GLU B 604 -2.708 -17.282 0.108 1.00 0.00 C ATOM 833 O GLU B 604 -2.284 -18.349 -0.337 1.00 0.00 O ATOM 834 CB GLU B 604 -1.471 -16.227 2.005 1.00 0.00 C ATOM 835 CG GLU B 604 -0.403 -15.246 2.445 1.00 0.00 C ATOM 836 CD GLU B 604 0.112 -15.535 3.836 1.00 0.00 C ATOM 837 OE1 GLU B 604 -0.709 -15.735 4.755 1.00 0.00 O1- ATOM 838 OE2 GLU B 604 1.346 -15.597 4.012 1.00 0.00 O ATOM 0 H GLU B 604 -2.650 -14.323 0.947 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.821 -16.305 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.392 -16.024 2.552 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.160 -17.238 2.269 1.00 0.00 H new ATOM 0 HG2 GLU B 604 0.428 -15.278 1.740 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.809 -14.235 2.414 1.00 0.00 H new ATOM 845 N ILE B 605 -3.995 -17.030 0.283 1.00 0.00 N ATOM 846 CA ILE B 605 -5.042 -17.963 -0.119 1.00 0.00 C ATOM 847 C ILE B 605 -5.047 -18.131 -1.640 1.00 0.00 C ATOM 848 O ILE B 605 -5.477 -19.157 -2.172 1.00 0.00 O ATOM 849 CB ILE B 605 -6.425 -17.461 0.364 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.400 -17.262 1.883 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.533 -18.429 -0.028 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.612 -16.535 2.430 1.00 0.00 C ATOM 0 H ILE B 605 -4.347 -16.172 0.708 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.840 -18.930 0.341 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.634 -16.507 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.325 -18.237 2.365 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.503 -16.704 2.151 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.491 -18.048 0.326 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.561 -18.530 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.341 -19.403 0.422 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.518 -16.434 3.511 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.678 -15.546 1.978 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.513 -17.102 2.195 1.00 0.00 H new ATOM 901 N LEU B 609 -1.591 -14.437 -6.745 1.00 0.00 N ATOM 902 CA LEU B 609 -1.358 -13.231 -5.971 1.00 0.00 C ATOM 903 C LEU B 609 -0.372 -13.539 -4.853 1.00 0.00 C ATOM 904 O LEU B 609 -0.316 -14.673 -4.378 1.00 0.00 O ATOM 905 CB LEU B 609 -2.688 -12.737 -5.395 1.00 0.00 C ATOM 906 CG LEU B 609 -3.852 -12.747 -6.394 1.00 0.00 C ATOM 907 CD1 LEU B 609 -5.169 -12.430 -5.715 1.00 0.00 C ATOM 908 CD2 LEU B 609 -3.595 -11.754 -7.506 1.00 0.00 C ATOM 0 HA LEU B 609 -0.939 -12.450 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.953 -13.359 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.554 -11.722 -5.022 1.00 0.00 H new ATOM 0 HG LEU B 609 -3.921 -13.751 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -5.972 -12.446 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -5.370 -13.174 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -5.115 -11.441 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -4.428 -11.771 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -3.495 -10.754 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -2.676 -12.021 -8.027 1.00 0.00 H new ATOM 920 N LYS B 610 0.418 -12.556 -4.445 1.00 0.00 N ATOM 921 CA LYS B 610 1.402 -12.778 -3.385 1.00 0.00 C ATOM 922 C LYS B 610 1.835 -11.474 -2.723 1.00 0.00 C ATOM 923 O LYS B 610 1.856 -10.419 -3.357 1.00 0.00 O ATOM 924 CB LYS B 610 2.631 -13.506 -3.940 1.00 0.00 C ATOM 925 CG LYS B 610 3.303 -12.782 -5.089 1.00 0.00 C ATOM 926 CD LYS B 610 4.568 -13.493 -5.531 1.00 0.00 C ATOM 927 CE LYS B 610 5.209 -12.787 -6.711 1.00 0.00 C ATOM 928 NZ LYS B 610 6.457 -13.461 -7.149 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.402 -11.609 -4.823 1.00 0.00 H new ATOM 0 HA LYS B 610 0.921 -13.396 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.354 -13.643 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.333 -14.500 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.612 -12.711 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.544 -11.763 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS B 610 5.274 -13.535 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.334 -14.522 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS B 610 4.504 -12.754 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS B 610 5.430 -11.755 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 6.864 -12.948 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 7.140 -13.470 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 6.243 -14.438 -7.432 1.00 0.00 H new ATOM 942 N ILE B 611 2.167 -11.571 -1.439 1.00 0.00 N ATOM 943 CA ILE B 611 2.682 -10.449 -0.660 1.00 0.00 C ATOM 944 C ILE B 611 4.211 -10.442 -0.707 1.00 0.00 C ATOM 945 O ILE B 611 4.835 -11.483 -0.924 1.00 0.00 O ATOM 946 CB ILE B 611 2.232 -10.565 0.818 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.704 -10.619 0.917 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.774 -9.420 1.655 1.00 0.00 C ATOM 949 CD1 ILE B 611 0.019 -9.264 1.009 1.00 0.00 C ATOM 0 H ILE B 611 2.086 -12.437 -0.906 1.00 0.00 H new ATOM 0 HA ILE B 611 2.290 -9.526 -1.088 1.00 0.00 H new ATOM 0 HB ILE B 611 2.642 -11.494 1.214 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.317 -11.147 0.046 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.432 -11.207 1.793 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.439 -9.533 2.686 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.864 -9.431 1.624 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.409 -8.473 1.256 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.060 -9.405 1.075 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.371 -8.738 1.896 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.254 -8.676 0.121 1.00 0.00 H new ATOM 961 N ASP B 612 4.811 -9.279 -0.519 1.00 0.00 N ATOM 962 CA ASP B 612 6.262 -9.178 -0.436 1.00 0.00 C ATOM 963 C ASP B 612 6.663 -8.403 0.803 1.00 0.00 C ATOM 964 O ASP B 612 5.900 -7.573 1.299 1.00 0.00 O ATOM 965 CB ASP B 612 6.854 -8.493 -1.669 1.00 0.00 C ATOM 966 CG ASP B 612 8.322 -8.814 -1.842 1.00 0.00 C ATOM 967 OD1 ASP B 612 9.169 -8.086 -1.284 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 8.633 -9.810 -2.529 1.00 0.00 O ATOM 0 H ASP B 612 4.318 -8.391 -0.421 1.00 0.00 H new ATOM 0 HA ASP B 612 6.655 -10.193 -0.384 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.306 -8.808 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.726 -7.414 -1.581 1.00 0.00 H new ATOM 973 N SER B 613 7.854 -8.680 1.297 1.00 0.00 N ATOM 974 CA SER B 613 8.381 -7.989 2.455 1.00 0.00 C ATOM 975 C SER B 613 9.546 -7.089 2.052 1.00 0.00 C ATOM 976 O SER B 613 10.661 -7.559 1.807 1.00 0.00 O ATOM 977 CB SER B 613 8.807 -9.001 3.523 1.00 0.00 C ATOM 978 OG SER B 613 9.581 -10.050 2.960 1.00 0.00 O ATOM 0 H SER B 613 8.479 -9.386 0.909 1.00 0.00 H new ATOM 0 HA SER B 613 7.600 -7.357 2.878 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.384 -8.495 4.297 1.00 0.00 H new ATOM 0 HB3 SER B 613 7.923 -9.417 4.006 1.00 0.00 H new ATOM 0 HG SER B 613 10.261 -9.671 2.364 1.00 0.00 H new ATOM 984 N SER B 614 9.271 -5.798 1.947 1.00 0.00 N ATOM 985 CA SER B 614 10.291 -4.826 1.598 1.00 0.00 C ATOM 986 C SER B 614 10.404 -3.761 2.692 1.00 0.00 C ATOM 987 O SER B 614 9.544 -2.889 2.815 1.00 0.00 O ATOM 988 CB SER B 614 9.946 -4.178 0.256 1.00 0.00 C ATOM 989 OG SER B 614 9.762 -5.158 -0.756 1.00 0.00 O ATOM 0 H SER B 614 8.345 -5.399 2.100 1.00 0.00 H new ATOM 0 HA SER B 614 11.252 -5.332 1.511 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.038 -3.583 0.359 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.743 -3.495 -0.036 1.00 0.00 H new ATOM 0 HG SER B 614 9.541 -4.717 -1.603 1.00 0.00 H new ATOM 995 N THR B 615 11.460 -3.842 3.491 1.00 0.00 N ATOM 996 CA THR B 615 11.655 -2.912 4.597 1.00 0.00 C ATOM 997 C THR B 615 12.231 -1.592 4.111 1.00 0.00 C ATOM 998 O THR B 615 13.383 -1.536 3.691 1.00 0.00 O ATOM 999 CB THR B 615 12.610 -3.490 5.662 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.142 -4.769 6.106 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.735 -2.544 6.855 1.00 0.00 C ATOM 0 H THR B 615 12.195 -4.542 3.394 1.00 0.00 H new ATOM 0 HA THR B 615 10.672 -2.748 5.038 1.00 0.00 H new ATOM 0 HB THR B 615 13.593 -3.605 5.206 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.757 -5.126 6.780 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.414 -2.975 7.591 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.126 -1.584 6.519 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.754 -2.398 7.308 1.00 0.00 H new ATOM 1009 N VAL B 616 11.433 -0.534 4.148 1.00 0.00 N ATOM 1010 CA VAL B 616 11.949 0.791 3.873 1.00 0.00 C ATOM 1011 C VAL B 616 13.069 1.138 4.850 1.00 0.00 C ATOM 1012 O VAL B 616 12.862 1.204 6.058 1.00 0.00 O ATOM 1013 CB VAL B 616 10.843 1.867 3.924 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.906 1.646 5.091 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.450 3.256 4.011 1.00 0.00 C ATOM 0 H VAL B 616 10.437 -0.570 4.364 1.00 0.00 H new ATOM 0 HA VAL B 616 12.347 0.780 2.858 1.00 0.00 H new ATOM 0 HB VAL B 616 10.267 1.784 3.002 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.141 2.422 5.095 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.432 0.669 4.997 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.470 1.687 6.023 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.654 4.000 4.046 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.057 3.332 4.913 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.076 3.435 3.137 1.00 0.00 H new ATOM 1025 N GLU B 617 14.259 1.327 4.310 1.00 0.00 N ATOM 1026 CA GLU B 617 15.423 1.657 5.105 1.00 0.00 C ATOM 1027 C GLU B 617 15.671 3.154 5.099 1.00 0.00 C ATOM 1028 O GLU B 617 16.378 3.674 5.959 1.00 0.00 O ATOM 1029 CB GLU B 617 16.657 0.919 4.601 1.00 0.00 C ATOM 1030 CG GLU B 617 16.543 -0.587 4.709 1.00 0.00 C ATOM 1031 CD GLU B 617 17.890 -1.260 4.824 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.560 -1.447 3.791 1.00 0.00 O ATOM 1033 OE2 GLU B 617 18.293 -1.591 5.959 1.00 0.00 O1- ATOM 0 H GLU B 617 14.444 1.256 3.309 1.00 0.00 H new ATOM 0 HA GLU B 617 15.227 1.339 6.129 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.833 1.189 3.560 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.527 1.252 5.167 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.938 -0.841 5.579 1.00 0.00 H new ATOM 0 HG3 GLU B 617 16.021 -0.973 3.833 1.00 0.00 H new ATOM 1040 N ARG B 618 15.107 3.846 4.118 1.00 0.00 N ATOM 1041 CA ARG B 618 15.293 5.285 4.023 1.00 0.00 C ATOM 1042 C ARG B 618 14.164 5.915 3.214 1.00 0.00 C ATOM 1043 O ARG B 618 13.538 5.249 2.391 1.00 0.00 O ATOM 1044 CB ARG B 618 16.646 5.595 3.381 1.00 0.00 C ATOM 1045 CG ARG B 618 17.099 7.034 3.566 1.00 0.00 C ATOM 1046 CD ARG B 618 18.241 7.389 2.627 1.00 0.00 C ATOM 1047 NE ARG B 618 19.370 6.465 2.731 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.199 6.197 1.722 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.022 6.777 0.538 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.205 5.348 1.897 1.00 0.00 N ATOM 0 H ARG B 618 14.524 3.439 3.386 1.00 0.00 H new ATOM 0 HA ARG B 618 15.274 5.709 5.027 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.399 4.930 3.804 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.590 5.376 2.315 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.259 7.706 3.388 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.416 7.186 4.598 1.00 0.00 H new ATOM 0 HD2 ARG B 618 17.874 7.392 1.601 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.584 8.400 2.846 1.00 0.00 H new ATOM 0 HE ARG B 618 19.532 6.000 3.624 1.00 0.00 H new ATOM 0 HH11 ARG B 618 19.250 7.429 0.400 1.00 0.00 H new ATOM 0 HH12 ARG B 618 20.658 6.570 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.343 4.901 2.803 1.00 0.00 H new ATOM 0 HH22 ARG B 618 21.839 5.143 1.125 1.00 0.00 H new ATOM 1064 N ILE B 619 13.910 7.191 3.458 1.00 0.00 N ATOM 1065 CA ILE B 619 12.856 7.926 2.777 1.00 0.00 C ATOM 1066 C ILE B 619 13.352 9.317 2.440 1.00 0.00 C ATOM 1067 O ILE B 619 13.720 10.087 3.327 1.00 0.00 O ATOM 1068 CB ILE B 619 11.583 8.027 3.644 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.928 6.658 3.769 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.603 9.036 3.055 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.809 6.611 4.782 1.00 0.00 C ATOM 0 H ILE B 619 14.431 7.748 4.136 1.00 0.00 H new ATOM 0 HA ILE B 619 12.599 7.386 1.866 1.00 0.00 H new ATOM 0 HB ILE B 619 11.868 8.374 4.637 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.538 6.361 2.795 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.687 5.926 4.045 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.714 9.089 3.684 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.075 10.018 3.010 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.319 8.723 2.050 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.391 5.605 4.816 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.197 6.876 5.766 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.030 7.318 4.497 1.00 0.00 H new ATOM 1083 N GLU B 620 13.379 9.632 1.162 1.00 0.00 N ATOM 1084 CA GLU B 620 13.939 10.893 0.719 1.00 0.00 C ATOM 1085 C GLU B 620 12.957 11.652 -0.151 1.00 0.00 C ATOM 1086 O GLU B 620 12.326 11.081 -1.039 1.00 0.00 O ATOM 1087 CB GLU B 620 15.232 10.647 -0.053 1.00 0.00 C ATOM 1088 CG GLU B 620 16.197 9.728 0.672 1.00 0.00 C ATOM 1089 CD GLU B 620 17.493 9.529 -0.081 1.00 0.00 C ATOM 1090 OE1 GLU B 620 18.172 10.535 -0.378 1.00 0.00 O ATOM 1091 OE2 GLU B 620 17.854 8.367 -0.359 1.00 0.00 O1- ATOM 0 H GLU B 620 13.022 9.037 0.415 1.00 0.00 H new ATOM 0 HA GLU B 620 14.152 11.497 1.601 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.991 10.216 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.722 11.602 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.414 10.141 1.657 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.721 8.760 0.830 1.00 0.00 H new ATOM 1098 N ASP B 621 12.826 12.938 0.114 1.00 0.00 N ATOM 1099 CA ASP B 621 12.007 13.804 -0.714 1.00 0.00 C ATOM 1100 C ASP B 621 12.726 14.076 -2.016 1.00 0.00 C ATOM 1101 O ASP B 621 13.940 14.270 -2.036 1.00 0.00 O ATOM 1102 CB ASP B 621 11.684 15.112 0.008 1.00 0.00 C ATOM 1103 CG ASP B 621 11.160 16.186 -0.922 1.00 0.00 C ATOM 1104 OD1 ASP B 621 9.950 16.180 -1.217 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 11.958 17.038 -1.367 1.00 0.00 O ATOM 0 H ASP B 621 13.278 13.408 0.899 1.00 0.00 H new ATOM 0 HA ASP B 621 11.061 13.303 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.944 14.919 0.785 1.00 0.00 H new ATOM 0 HB3 ASP B 621 12.582 15.477 0.507 1.00 0.00 H new ATOM 1110 N SER B 622 11.981 14.088 -3.097 1.00 0.00 N ATOM 1111 CA SER B 622 12.583 14.186 -4.415 1.00 0.00 C ATOM 1112 C SER B 622 12.403 15.583 -4.999 1.00 0.00 C ATOM 1113 O SER B 622 12.666 15.801 -6.185 1.00 0.00 O ATOM 1114 CB SER B 622 11.979 13.136 -5.351 1.00 0.00 C ATOM 1115 OG SER B 622 12.840 12.882 -6.447 1.00 0.00 O ATOM 0 H SER B 622 10.963 14.032 -3.095 1.00 0.00 H new ATOM 0 HA SER B 622 13.652 13.998 -4.315 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.801 12.212 -4.801 1.00 0.00 H new ATOM 0 HB3 SER B 622 11.012 13.481 -5.716 1.00 0.00 H new ATOM 0 HG SER B 622 12.311 12.584 -7.216 1.00 0.00 H new ATOM 1121 N HIS B 623 11.951 16.517 -4.157 1.00 0.00 N ATOM 1122 CA HIS B 623 11.725 17.915 -4.546 1.00 0.00 C ATOM 1123 C HIS B 623 10.496 18.055 -5.448 1.00 0.00 C ATOM 1124 O HIS B 623 9.720 19.001 -5.307 1.00 0.00 O ATOM 1125 CB HIS B 623 12.968 18.503 -5.229 1.00 0.00 C ATOM 1126 CG HIS B 623 12.926 19.991 -5.394 1.00 0.00 C ATOM 1127 ND1 HIS B 623 12.492 20.615 -6.544 1.00 0.00 N ATOM 1128 CD2 HIS B 623 13.282 20.981 -4.543 1.00 0.00 C ATOM 1129 CE1 HIS B 623 12.584 21.921 -6.393 1.00 0.00 C ATOM 1130 NE2 HIS B 623 13.059 22.170 -5.188 1.00 0.00 N ATOM 0 H HIS B 623 11.730 16.325 -3.180 1.00 0.00 H new ATOM 0 HA HIS B 623 11.535 18.481 -3.634 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.850 18.237 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS B 623 13.083 18.042 -6.210 1.00 0.00 H new ATOM 0 HD2 HIS B 623 13.669 20.858 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS B 623 12.316 22.662 -7.131 1.00 0.00 H new ATOM 0 HE2 HIS B 623 13.232 23.097 -4.799 1.00 0.00 H new ATOM 1139 N SER B 624 10.335 17.114 -6.368 1.00 0.00 N ATOM 1140 CA SER B 624 9.193 17.071 -7.268 1.00 0.00 C ATOM 1141 C SER B 624 7.878 17.027 -6.482 1.00 0.00 C ATOM 1142 O SER B 624 7.824 16.468 -5.381 1.00 0.00 O ATOM 1143 CB SER B 624 9.328 15.845 -8.172 1.00 0.00 C ATOM 1144 OG SER B 624 10.575 15.855 -8.850 1.00 0.00 O ATOM 0 H SER B 624 10.999 16.353 -6.511 1.00 0.00 H new ATOM 0 HA SER B 624 9.176 17.974 -7.878 1.00 0.00 H new ATOM 0 HB2 SER B 624 9.240 14.937 -7.576 1.00 0.00 H new ATOM 0 HB3 SER B 624 8.514 15.831 -8.897 1.00 0.00 H new ATOM 0 HG SER B 624 10.643 15.062 -9.422 1.00 0.00 H new ATOM 1150 N PRO B 625 6.814 17.640 -7.040 1.00 0.00 N ATOM 1151 CA PRO B 625 5.499 17.743 -6.390 1.00 0.00 C ATOM 1152 C PRO B 625 4.992 16.428 -5.825 1.00 0.00 C ATOM 1153 O PRO B 625 4.642 15.507 -6.564 1.00 0.00 O ATOM 1154 CB PRO B 625 4.580 18.208 -7.509 1.00 0.00 C ATOM 1155 CG PRO B 625 5.463 18.934 -8.463 1.00 0.00 C ATOM 1156 CD PRO B 625 6.821 18.295 -8.363 1.00 0.00 C ATOM 0 HA PRO B 625 5.546 18.414 -5.532 1.00 0.00 H new ATOM 0 HB2 PRO B 625 4.089 17.363 -7.992 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.793 18.859 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO B 625 5.076 18.864 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO B 625 5.514 19.994 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.982 17.574 -9.164 1.00 0.00 H new ATOM 0 HD3 PRO B 625 7.617 19.036 -8.437 1.00 0.00 H new ATOM 1164 N GLY B 626 4.943 16.372 -4.505 1.00 0.00 N ATOM 1165 CA GLY B 626 4.440 15.212 -3.803 1.00 0.00 C ATOM 1166 C GLY B 626 5.216 13.946 -4.098 1.00 0.00 C ATOM 1167 O GLY B 626 4.653 12.858 -4.054 1.00 0.00 O ATOM 0 H GLY B 626 5.251 17.129 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.469 15.405 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.395 15.059 -4.072 1.00 0.00 H new ATOM 1171 N VAL B 627 6.502 14.074 -4.391 1.00 0.00 N ATOM 1172 CA VAL B 627 7.314 12.913 -4.724 1.00 0.00 C ATOM 1173 C VAL B 627 8.344 12.625 -3.648 1.00 0.00 C ATOM 1174 O VAL B 627 9.130 13.497 -3.268 1.00 0.00 O ATOM 1175 CB VAL B 627 8.040 13.082 -6.074 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.792 11.812 -6.448 1.00 0.00 C ATOM 1177 CG2 VAL B 627 7.047 13.448 -7.155 1.00 0.00 C ATOM 0 H VAL B 627 7.002 14.963 -4.405 1.00 0.00 H new ATOM 0 HA VAL B 627 6.622 12.074 -4.797 1.00 0.00 H new ATOM 0 HB VAL B 627 8.767 13.888 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL B 627 9.296 11.956 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.531 11.587 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL B 627 8.089 10.983 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.569 13.565 -8.104 1.00 0.00 H new ATOM 0 HG22 VAL B 627 6.301 12.658 -7.246 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.554 14.385 -6.894 1.00 0.00 H new ATOM 1187 N ALA B 628 8.330 11.401 -3.160 1.00 0.00 N ATOM 1188 CA ALA B 628 9.323 10.938 -2.217 1.00 0.00 C ATOM 1189 C ALA B 628 9.741 9.528 -2.575 1.00 0.00 C ATOM 1190 O ALA B 628 8.903 8.661 -2.822 1.00 0.00 O ATOM 1191 CB ALA B 628 8.792 10.994 -0.793 1.00 0.00 C ATOM 0 H ALA B 628 7.630 10.701 -3.407 1.00 0.00 H new ATOM 0 HA ALA B 628 10.191 11.594 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.559 10.640 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.527 12.021 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.909 10.361 -0.709 1.00 0.00 H new ATOM 1197 N VAL B 629 11.033 9.307 -2.623 1.00 0.00 N ATOM 1198 CA VAL B 629 11.555 7.998 -2.941 1.00 0.00 C ATOM 1199 C VAL B 629 11.742 7.193 -1.676 1.00 0.00 C ATOM 1200 O VAL B 629 12.503 7.567 -0.779 1.00 0.00 O ATOM 1201 CB VAL B 629 12.874 8.066 -3.744 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.712 9.236 -3.279 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.661 6.762 -3.627 1.00 0.00 C ATOM 0 H VAL B 629 11.743 10.017 -2.446 1.00 0.00 H new ATOM 0 HA VAL B 629 10.824 7.502 -3.580 1.00 0.00 H new ATOM 0 HB VAL B 629 12.623 8.210 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.638 9.271 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL B 629 13.157 10.163 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.946 9.118 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.583 6.841 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.901 6.575 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL B 629 13.061 5.939 -4.015 1.00 0.00 H new ATOM 1213 N ILE B 630 11.007 6.108 -1.599 1.00 0.00 N ATOM 1214 CA ILE B 630 11.121 5.202 -0.491 1.00 0.00 C ATOM 1215 C ILE B 630 12.163 4.141 -0.828 1.00 0.00 C ATOM 1216 O ILE B 630 12.000 3.384 -1.785 1.00 0.00 O ATOM 1217 CB ILE B 630 9.772 4.527 -0.186 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.621 5.533 -0.277 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.807 3.902 1.193 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.713 6.653 0.728 1.00 0.00 C ATOM 0 H ILE B 630 10.319 5.834 -2.300 1.00 0.00 H new ATOM 0 HA ILE B 630 11.424 5.762 0.393 1.00 0.00 H new ATOM 0 HB ILE B 630 9.603 3.749 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.600 5.958 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.678 5.006 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.849 3.426 1.401 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.599 3.155 1.234 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.998 4.675 1.938 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.864 7.325 0.603 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.702 6.239 1.736 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.639 7.206 0.573 1.00 0.00 H new ATOM 1232 N GLN B 631 13.251 4.120 -0.080 1.00 0.00 N ATOM 1233 CA GLN B 631 14.308 3.152 -0.311 1.00 0.00 C ATOM 1234 C GLN B 631 14.004 1.872 0.444 1.00 0.00 C ATOM 1235 O GLN B 631 14.034 1.851 1.675 1.00 0.00 O ATOM 1236 CB GLN B 631 15.660 3.711 0.130 1.00 0.00 C ATOM 1237 CG GLN B 631 16.811 2.741 -0.080 1.00 0.00 C ATOM 1238 CD GLN B 631 18.134 3.293 0.404 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.860 3.945 -0.344 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.456 3.032 1.660 1.00 0.00 N ATOM 0 H GLN B 631 13.426 4.762 0.693 1.00 0.00 H new ATOM 0 HA GLN B 631 14.357 2.939 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.863 4.629 -0.422 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.608 3.978 1.185 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.597 1.810 0.444 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.889 2.499 -1.140 1.00 0.00 H new ATOM 0 HE21 GLN B 631 17.824 2.487 2.246 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.337 3.376 2.043 1.00 0.00 H new ATOM 1249 N PHE B 632 13.710 0.817 -0.296 1.00 0.00 N ATOM 1250 CA PHE B 632 13.312 -0.450 0.296 1.00 0.00 C ATOM 1251 C PHE B 632 14.428 -1.473 0.244 1.00 0.00 C ATOM 1252 O PHE B 632 15.145 -1.573 -0.745 1.00 0.00 O ATOM 1253 CB PHE B 632 12.111 -1.033 -0.441 1.00 0.00 C ATOM 1254 CG PHE B 632 10.874 -0.195 -0.382 1.00 0.00 C ATOM 1255 CD1 PHE B 632 9.997 -0.312 0.679 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.573 0.692 -1.400 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.846 0.442 0.725 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.419 1.446 -1.362 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.552 1.320 -0.297 1.00 0.00 C ATOM 0 H PHE B 632 13.740 0.813 -1.316 1.00 0.00 H new ATOM 0 HA PHE B 632 13.061 -0.241 1.336 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.382 -1.184 -1.486 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.888 -2.015 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.217 -1.002 1.480 1.00 0.00 H new ATOM 0 HD2 PHE B 632 11.250 0.795 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.172 0.346 1.563 1.00 0.00 H new ATOM 0 HE2 PHE B 632 9.195 2.133 -2.164 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.646 1.907 -0.263 1.00 0.00 H new ATOM 1269 N ALA B 633 14.559 -2.224 1.318 1.00 0.00 N ATOM 1270 CA ALA B 633 15.394 -3.405 1.334 1.00 0.00 C ATOM 1271 C ALA B 633 14.514 -4.624 1.106 1.00 0.00 C ATOM 1272 O ALA B 633 13.848 -5.105 2.025 1.00 0.00 O ATOM 1273 CB ALA B 633 16.127 -3.513 2.658 1.00 0.00 C ATOM 0 H ALA B 633 14.090 -2.032 2.203 1.00 0.00 H new ATOM 0 HA ALA B 633 16.142 -3.342 0.543 1.00 0.00 H new ATOM 0 HB1 ALA B 633 16.752 -4.406 2.656 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.753 -2.632 2.800 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.403 -3.578 3.470 1.00 0.00 H new ATOM 1279 N VAL B 634 14.488 -5.097 -0.127 1.00 0.00 N ATOM 1280 CA VAL B 634 13.605 -6.187 -0.509 1.00 0.00 C ATOM 1281 C VAL B 634 14.147 -7.526 -0.031 1.00 0.00 C ATOM 1282 O VAL B 634 15.257 -7.927 -0.396 1.00 0.00 O ATOM 1283 CB VAL B 634 13.396 -6.229 -2.039 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.460 -7.365 -2.430 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.859 -4.896 -2.537 1.00 0.00 C ATOM 0 H VAL B 634 15.071 -4.742 -0.885 1.00 0.00 H new ATOM 0 HA VAL B 634 12.644 -6.004 -0.029 1.00 0.00 H new ATOM 0 HB VAL B 634 14.362 -6.412 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.329 -7.373 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL B 634 12.887 -8.315 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.493 -7.221 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.717 -4.941 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.905 -4.685 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.570 -4.105 -2.297 1.00 0.00 H new ATOM 1295 N GLY B 635 13.369 -8.198 0.806 1.00 0.00 N ATOM 1296 CA GLY B 635 13.730 -9.523 1.260 1.00 0.00 C ATOM 1297 C GLY B 635 14.752 -9.502 2.375 1.00 0.00 C ATOM 1298 O GLY B 635 15.255 -8.443 2.756 1.00 0.00 O ATOM 0 H GLY B 635 12.488 -7.845 1.180 1.00 0.00 H new ATOM 0 HA2 GLY B 635 12.835 -10.041 1.604 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.126 -10.094 0.421 1.00 0.00 H new ATOM 1302 N GLU B 636 15.071 -10.678 2.891 1.00 0.00 N ATOM 1303 CA GLU B 636 16.039 -10.808 3.969 1.00 0.00 C ATOM 1304 C GLU B 636 17.456 -10.597 3.451 1.00 0.00 C ATOM 1305 O GLU B 636 18.379 -10.337 4.222 1.00 0.00 O ATOM 1306 CB GLU B 636 15.904 -12.174 4.623 1.00 0.00 C ATOM 1307 CG GLU B 636 14.550 -12.395 5.271 1.00 0.00 C ATOM 1308 CD GLU B 636 14.415 -13.770 5.876 1.00 0.00 C ATOM 1309 OE1 GLU B 636 14.795 -13.948 7.050 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 13.931 -14.683 5.178 1.00 0.00 O ATOM 0 H GLU B 636 14.671 -11.562 2.578 1.00 0.00 H new ATOM 0 HA GLU B 636 15.837 -10.039 4.715 1.00 0.00 H new ATOM 0 HB2 GLU B 636 16.071 -12.947 3.873 1.00 0.00 H new ATOM 0 HB3 GLU B 636 16.683 -12.287 5.377 1.00 0.00 H new ATOM 0 HG2 GLU B 636 14.395 -11.644 6.046 1.00 0.00 H new ATOM 0 HG3 GLU B 636 13.767 -12.251 4.527 1.00 0.00 H new ATOM 1317 N HIS B 637 17.617 -10.700 2.135 1.00 0.00 N ATOM 1318 CA HIS B 637 18.891 -10.406 1.492 1.00 0.00 C ATOM 1319 C HIS B 637 19.019 -8.893 1.306 1.00 0.00 C ATOM 1320 O HIS B 637 20.016 -8.400 0.776 1.00 0.00 O ATOM 1321 CB HIS B 637 18.982 -11.126 0.142 1.00 0.00 C ATOM 1322 CG HIS B 637 20.382 -11.307 -0.368 1.00 0.00 C ATOM 1323 ND1 HIS B 637 21.107 -12.461 -0.164 1.00 0.00 N ATOM 1324 CD2 HIS B 637 21.181 -10.488 -1.093 1.00 0.00 C ATOM 1325 CE1 HIS B 637 22.288 -12.344 -0.738 1.00 0.00 C ATOM 1326 NE2 HIS B 637 22.359 -11.157 -1.308 1.00 0.00 N ATOM 0 H HIS B 637 16.878 -10.986 1.493 1.00 0.00 H new ATOM 0 HA HIS B 637 19.709 -10.761 2.119 1.00 0.00 H new ATOM 0 HB2 HIS B 637 18.512 -12.105 0.233 1.00 0.00 H new ATOM 0 HB3 HIS B 637 18.409 -10.564 -0.596 1.00 0.00 H new ATOM 0 HD2 HIS B 637 20.936 -9.494 -1.437 1.00 0.00 H new ATOM 0 HE1 HIS B 637 23.066 -13.093 -0.741 1.00 0.00 H new ATOM 0 HE2 HIS B 637 23.160 -10.795 -1.825 1.00 0.00 H new ATOM 1335 N ARG B 638 17.977 -8.184 1.763 1.00 0.00 N ATOM 1336 CA ARG B 638 17.936 -6.721 1.839 1.00 0.00 C ATOM 1337 C ARG B 638 18.551 -6.051 0.625 1.00 0.00 C ATOM 1338 O ARG B 638 19.535 -5.317 0.720 1.00 0.00 O ATOM 1339 CB ARG B 638 18.562 -6.207 3.142 1.00 0.00 C ATOM 1340 CG ARG B 638 19.856 -6.892 3.520 1.00 0.00 C ATOM 1341 CD ARG B 638 20.522 -6.230 4.712 1.00 0.00 C ATOM 1342 NE ARG B 638 21.718 -6.953 5.136 1.00 0.00 N ATOM 1343 CZ ARG B 638 22.462 -6.611 6.185 1.00 0.00 C ATOM 1344 NH1 ARG B 638 22.145 -5.544 6.910 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 23.529 -7.332 6.504 1.00 0.00 N ATOM 0 H ARG B 638 17.120 -8.625 2.097 1.00 0.00 H new ATOM 0 HA ARG B 638 16.882 -6.443 1.843 1.00 0.00 H new ATOM 0 HB2 ARG B 638 18.745 -5.137 3.047 1.00 0.00 H new ATOM 0 HB3 ARG B 638 17.845 -6.337 3.953 1.00 0.00 H new ATOM 0 HG2 ARG B 638 19.658 -7.939 3.750 1.00 0.00 H new ATOM 0 HG3 ARG B 638 20.537 -6.876 2.669 1.00 0.00 H new ATOM 0 HD2 ARG B 638 20.789 -5.205 4.456 1.00 0.00 H new ATOM 0 HD3 ARG B 638 19.816 -6.178 5.541 1.00 0.00 H new ATOM 0 HE ARG B 638 22.000 -7.770 4.595 1.00 0.00 H new ATOM 0 HH11 ARG B 638 21.329 -4.984 6.663 1.00 0.00 H new ATOM 0 HH12 ARG B 638 22.718 -5.285 7.713 1.00 0.00 H new ATOM 0 HH21 ARG B 638 23.779 -8.148 5.945 1.00 0.00 H new ATOM 0 HH22 ARG B 638 24.100 -7.070 7.308 1.00 0.00 H new ATOM 1359 N ALA B 639 17.949 -6.320 -0.517 1.00 0.00 N ATOM 1360 CA ALA B 639 18.344 -5.688 -1.757 1.00 0.00 C ATOM 1361 C ALA B 639 17.638 -4.349 -1.887 1.00 0.00 C ATOM 1362 O ALA B 639 16.409 -4.288 -1.941 1.00 0.00 O ATOM 1363 CB ALA B 639 18.018 -6.591 -2.927 1.00 0.00 C ATOM 0 H ALA B 639 17.176 -6.980 -0.610 1.00 0.00 H new ATOM 0 HA ALA B 639 19.420 -5.516 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.319 -6.106 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.554 -7.534 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.945 -6.784 -2.950 1.00 0.00 H new ATOM 1369 N GLN B 640 18.413 -3.284 -1.933 1.00 0.00 N ATOM 1370 CA GLN B 640 17.861 -1.943 -1.844 1.00 0.00 C ATOM 1371 C GLN B 640 17.357 -1.436 -3.185 1.00 0.00 C ATOM 1372 O GLN B 640 18.047 -1.511 -4.201 1.00 0.00 O ATOM 1373 CB GLN B 640 18.887 -0.978 -1.258 1.00 0.00 C ATOM 1374 CG GLN B 640 19.189 -1.254 0.202 1.00 0.00 C ATOM 1375 CD GLN B 640 20.149 -0.254 0.803 1.00 0.00 C ATOM 1376 OE1 GLN B 640 20.998 0.309 0.112 1.00 0.00 O ATOM 1377 NE2 GLN B 640 20.033 -0.036 2.101 1.00 0.00 N ATOM 0 H GLN B 640 19.428 -3.319 -2.032 1.00 0.00 H new ATOM 0 HA GLN B 640 17.001 -1.995 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.810 -1.044 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.519 0.043 -1.361 1.00 0.00 H new ATOM 0 HG2 GLN B 640 18.258 -1.242 0.769 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.608 -2.256 0.298 1.00 0.00 H new ATOM 0 HE21 GLN B 640 19.316 -0.523 2.638 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.661 0.620 2.566 1.00 0.00 H new ATOM 1386 N VAL B 641 16.132 -0.938 -3.163 1.00 0.00 N ATOM 1387 CA VAL B 641 15.501 -0.345 -4.328 1.00 0.00 C ATOM 1388 C VAL B 641 15.064 1.075 -4.006 1.00 0.00 C ATOM 1389 O VAL B 641 14.320 1.302 -3.050 1.00 0.00 O ATOM 1390 CB VAL B 641 14.271 -1.160 -4.793 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.592 -0.496 -5.982 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.672 -2.584 -5.141 1.00 0.00 C ATOM 0 H VAL B 641 15.544 -0.934 -2.330 1.00 0.00 H new ATOM 0 HA VAL B 641 16.234 -0.344 -5.135 1.00 0.00 H new ATOM 0 HB VAL B 641 13.559 -1.190 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.731 -1.090 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL B 641 13.261 0.504 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL B 641 14.297 -0.425 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.793 -3.141 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.409 -2.569 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.102 -3.066 -4.263 1.00 0.00 H new ATOM 1402 N SER B 642 15.547 2.023 -4.784 1.00 0.00 N ATOM 1403 CA SER B 642 15.156 3.410 -4.621 1.00 0.00 C ATOM 1404 C SER B 642 14.090 3.762 -5.650 1.00 0.00 C ATOM 1405 O SER B 642 14.386 3.926 -6.835 1.00 0.00 O ATOM 1406 CB SER B 642 16.373 4.324 -4.772 1.00 0.00 C ATOM 1407 OG SER B 642 17.380 3.986 -3.831 1.00 0.00 O ATOM 0 H SER B 642 16.213 1.858 -5.538 1.00 0.00 H new ATOM 0 HA SER B 642 14.744 3.554 -3.622 1.00 0.00 H new ATOM 0 HB2 SER B 642 16.772 4.241 -5.783 1.00 0.00 H new ATOM 0 HB3 SER B 642 16.073 5.362 -4.632 1.00 0.00 H new ATOM 0 HG SER B 642 18.149 4.582 -3.947 1.00 0.00 H new ATOM 1413 N VAL B 643 12.849 3.854 -5.199 1.00 0.00 N ATOM 1414 CA VAL B 643 11.739 4.122 -6.083 1.00 0.00 C ATOM 1415 C VAL B 643 11.043 5.437 -5.717 1.00 0.00 C ATOM 1416 O VAL B 643 10.598 5.625 -4.584 1.00 0.00 O ATOM 1417 CB VAL B 643 10.737 2.948 -6.049 1.00 0.00 C ATOM 1418 CG1 VAL B 643 10.362 2.585 -4.620 1.00 0.00 C ATOM 1419 CG2 VAL B 643 9.499 3.274 -6.854 1.00 0.00 C ATOM 0 H VAL B 643 12.590 3.745 -4.218 1.00 0.00 H new ATOM 0 HA VAL B 643 12.127 4.224 -7.096 1.00 0.00 H new ATOM 0 HB VAL B 643 11.225 2.084 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.655 1.755 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL B 643 11.258 2.293 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.904 3.446 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.808 2.432 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL B 643 9.017 4.159 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.779 3.466 -7.890 1.00 0.00 H new ATOM 1429 N GLU B 644 10.975 6.351 -6.678 1.00 0.00 N ATOM 1430 CA GLU B 644 10.282 7.619 -6.485 1.00 0.00 C ATOM 1431 C GLU B 644 8.778 7.423 -6.612 1.00 0.00 C ATOM 1432 O GLU B 644 8.276 7.099 -7.690 1.00 0.00 O ATOM 1433 CB GLU B 644 10.750 8.655 -7.506 1.00 0.00 C ATOM 1434 CG GLU B 644 12.152 9.174 -7.254 1.00 0.00 C ATOM 1435 CD GLU B 644 12.572 10.197 -8.284 1.00 0.00 C ATOM 1436 OE1 GLU B 644 11.973 11.295 -8.316 1.00 0.00 O1- ATOM 1437 OE2 GLU B 644 13.493 9.908 -9.074 1.00 0.00 O ATOM 0 H GLU B 644 11.393 6.237 -7.601 1.00 0.00 H new ATOM 0 HA GLU B 644 10.516 7.982 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.710 8.214 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU B 644 10.056 9.495 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU B 644 12.200 9.619 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.854 8.340 -7.264 1.00 0.00 H new ATOM 1444 N VAL B 645 8.069 7.603 -5.513 1.00 0.00 N ATOM 1445 CA VAL B 645 6.645 7.425 -5.475 1.00 0.00 C ATOM 1446 C VAL B 645 5.977 8.714 -4.999 1.00 0.00 C ATOM 1447 O VAL B 645 6.590 9.500 -4.274 1.00 0.00 O ATOM 1448 CB VAL B 645 6.314 6.274 -4.508 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.856 6.289 -4.158 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.719 4.934 -5.103 1.00 0.00 C ATOM 0 H VAL B 645 8.476 7.879 -4.619 1.00 0.00 H new ATOM 0 HA VAL B 645 6.274 7.185 -6.472 1.00 0.00 H new ATOM 0 HB VAL B 645 6.886 6.418 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL B 645 4.638 5.469 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL B 645 4.606 7.237 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL B 645 4.263 6.172 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL B 645 6.475 4.136 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL B 645 6.181 4.773 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.792 4.931 -5.297 1.00 0.00 H new ATOM 1460 N LEU B 646 4.738 8.952 -5.424 1.00 0.00 N ATOM 1461 CA LEU B 646 3.992 10.084 -4.900 1.00 0.00 C ATOM 1462 C LEU B 646 3.572 9.804 -3.465 1.00 0.00 C ATOM 1463 O LEU B 646 3.155 8.696 -3.131 1.00 0.00 O ATOM 1464 CB LEU B 646 2.749 10.420 -5.725 1.00 0.00 C ATOM 1465 CG LEU B 646 3.008 10.981 -7.122 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.914 11.959 -7.515 1.00 0.00 C ATOM 1467 CD2 LEU B 646 4.359 11.656 -7.201 1.00 0.00 C ATOM 0 H LEU B 646 4.242 8.388 -6.114 1.00 0.00 H new ATOM 0 HA LEU B 646 4.659 10.945 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU B 646 2.146 9.517 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU B 646 2.152 11.143 -5.169 1.00 0.00 H new ATOM 0 HG LEU B 646 3.004 10.144 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU B 646 2.115 12.348 -8.513 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.951 11.448 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.890 12.783 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.513 12.045 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU B 646 4.398 12.477 -6.485 1.00 0.00 H new ATOM 0 HD23 LEU B 646 5.141 10.933 -6.967 1.00 0.00 H new ATOM 1479 N VAL B 647 3.656 10.825 -2.634 1.00 0.00 N ATOM 1480 CA VAL B 647 3.412 10.689 -1.202 1.00 0.00 C ATOM 1481 C VAL B 647 1.949 10.383 -0.886 1.00 0.00 C ATOM 1482 O VAL B 647 1.611 10.059 0.250 1.00 0.00 O ATOM 1483 CB VAL B 647 3.831 11.961 -0.440 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.318 12.224 -0.606 1.00 0.00 C ATOM 1485 CG2 VAL B 647 3.015 13.158 -0.904 1.00 0.00 C ATOM 0 H VAL B 647 3.895 11.772 -2.927 1.00 0.00 H new ATOM 0 HA VAL B 647 4.020 9.846 -0.873 1.00 0.00 H new ATOM 0 HB VAL B 647 3.632 11.804 0.620 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.591 13.127 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.883 11.378 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.548 12.356 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.326 14.046 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL B 647 3.176 13.317 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.957 12.970 -0.721 1.00 0.00 H new ATOM 1495 N GLU B 648 1.082 10.487 -1.887 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.335 10.226 -1.687 1.00 0.00 C ATOM 1497 C GLU B 648 -0.652 8.745 -1.861 1.00 0.00 C ATOM 1498 O GLU B 648 -1.800 8.329 -1.696 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.192 11.066 -2.640 1.00 0.00 C ATOM 1500 CG GLU B 648 -0.853 10.888 -4.111 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.857 11.568 -5.021 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.975 12.807 -4.962 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.529 10.866 -5.807 1.00 0.00 O1- ATOM 0 H GLU B 648 1.335 10.749 -2.840 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.577 10.512 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.240 10.810 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.080 12.118 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU B 648 0.141 11.293 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -0.815 9.824 -4.346 1.00 0.00 H new ATOM 1510 N TYR B 649 0.364 7.955 -2.199 1.00 0.00 N ATOM 1511 CA TYR B 649 0.201 6.521 -2.340 1.00 0.00 C ATOM 1512 C TYR B 649 0.143 5.856 -0.970 1.00 0.00 C ATOM 1513 O TYR B 649 1.112 5.913 -0.208 1.00 0.00 O ATOM 1514 CB TYR B 649 1.359 5.937 -3.148 1.00 0.00 C ATOM 1515 CG TYR B 649 1.228 6.100 -4.648 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.869 7.317 -5.214 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.476 5.029 -5.499 1.00 0.00 C ATOM 1518 CE1 TYR B 649 0.758 7.461 -6.583 1.00 0.00 C ATOM 1519 CE2 TYR B 649 1.373 5.167 -6.869 1.00 0.00 C ATOM 1520 CZ TYR B 649 1.013 6.384 -7.406 1.00 0.00 C ATOM 1521 OH TYR B 649 0.917 6.526 -8.772 1.00 0.00 O ATOM 0 H TYR B 649 1.310 8.291 -2.380 1.00 0.00 H new ATOM 0 HA TYR B 649 -0.735 6.329 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR B 649 2.286 6.411 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.446 4.875 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.674 8.164 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR B 649 1.754 4.073 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR B 649 0.473 8.412 -7.007 1.00 0.00 H new ATOM 0 HE2 TYR B 649 1.573 4.326 -7.516 1.00 0.00 H new ATOM 0 HH TYR B 649 1.129 5.673 -9.205 1.00 0.00 H new ATOM 1531 N PRO B 650 -0.991 5.225 -0.633 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.152 4.531 0.632 1.00 0.00 C ATOM 1533 C PRO B 650 -0.545 3.136 0.588 1.00 0.00 C ATOM 1534 O PRO B 650 -1.059 2.246 -0.081 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.672 4.454 0.824 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.293 5.013 -0.420 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.204 5.126 -1.448 1.00 0.00 C ATOM 0 HA PRO B 650 -0.645 5.046 1.448 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.990 3.424 0.986 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -2.981 5.024 1.700 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.092 4.363 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -3.739 5.988 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.178 4.257 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.337 6.003 -2.082 1.00 0.00 H new ATOM 1545 N PHE B 651 0.545 2.953 1.310 1.00 0.00 N ATOM 1546 CA PHE B 651 1.262 1.692 1.309 1.00 0.00 C ATOM 1547 C PHE B 651 0.756 0.770 2.403 1.00 0.00 C ATOM 1548 O PHE B 651 0.797 1.104 3.588 1.00 0.00 O ATOM 1549 CB PHE B 651 2.763 1.921 1.493 1.00 0.00 C ATOM 1550 CG PHE B 651 3.466 2.375 0.248 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.496 3.713 -0.101 1.00 0.00 C ATOM 1552 CD2 PHE B 651 4.104 1.457 -0.570 1.00 0.00 C ATOM 1553 CE1 PHE B 651 4.148 4.129 -1.245 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.756 1.866 -1.716 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.779 3.204 -2.054 1.00 0.00 C ATOM 0 H PHE B 651 0.956 3.669 1.909 1.00 0.00 H new ATOM 0 HA PHE B 651 1.086 1.220 0.343 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.914 2.665 2.275 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.222 0.995 1.841 1.00 0.00 H new ATOM 0 HD1 PHE B 651 3.004 4.440 0.528 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.091 0.409 -0.308 1.00 0.00 H new ATOM 0 HE1 PHE B 651 4.165 5.177 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.247 1.140 -2.347 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.289 3.527 -2.949 1.00 0.00 H new ATOM 1565 N PHE B 652 0.265 -0.384 1.996 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.062 -1.431 2.937 1.00 0.00 C ATOM 1567 C PHE B 652 1.228 -1.996 3.503 1.00 0.00 C ATOM 1568 O PHE B 652 2.129 -2.357 2.751 1.00 0.00 O ATOM 1569 CB PHE B 652 -0.872 -2.530 2.254 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.246 -2.680 2.829 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.418 -3.163 4.113 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.363 -2.330 2.094 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.679 -3.294 4.653 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.628 -2.461 2.631 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.786 -2.943 3.912 1.00 0.00 C ATOM 0 H PHE B 652 0.085 -0.618 1.020 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.669 -1.022 3.744 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -0.951 -2.309 1.190 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.340 -3.477 2.344 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.555 -3.441 4.699 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.245 -1.950 1.090 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.799 -3.672 5.657 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.494 -2.186 2.047 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.775 -3.045 4.334 1.00 0.00 H new ATOM 1585 N VAL B 653 1.342 -2.043 4.816 1.00 0.00 N ATOM 1586 CA VAL B 653 2.588 -2.456 5.428 1.00 0.00 C ATOM 1587 C VAL B 653 2.430 -3.809 6.146 1.00 0.00 C ATOM 1588 O VAL B 653 1.670 -3.927 7.107 1.00 0.00 O ATOM 1589 CB VAL B 653 3.123 -1.380 6.399 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.622 -1.470 6.503 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.745 0.023 5.958 1.00 0.00 C ATOM 0 H VAL B 653 0.598 -1.804 5.471 1.00 0.00 H new ATOM 0 HA VAL B 653 3.320 -2.578 4.630 1.00 0.00 H new ATOM 0 HB VAL B 653 2.665 -1.572 7.370 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.986 -0.706 7.190 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.902 -2.456 6.875 1.00 0.00 H new ATOM 0 HG13 VAL B 653 5.065 -1.314 5.519 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.142 0.747 6.670 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.162 0.219 4.970 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.659 0.111 5.917 1.00 0.00 H new ATOM 1601 N PHE B 654 3.230 -4.785 5.687 1.00 0.00 N ATOM 1602 CA PHE B 654 3.096 -6.226 5.997 1.00 0.00 C ATOM 1603 C PHE B 654 2.616 -6.545 7.418 1.00 0.00 C ATOM 1604 O PHE B 654 1.548 -7.116 7.594 1.00 0.00 O ATOM 1605 CB PHE B 654 4.437 -6.915 5.727 1.00 0.00 C ATOM 1606 CG PHE B 654 4.444 -8.388 6.026 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.657 -9.260 5.295 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.239 -8.898 7.040 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.661 -10.615 5.568 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.248 -10.251 7.318 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.457 -11.111 6.582 1.00 0.00 C ATOM 0 H PHE B 654 4.017 -4.590 5.068 1.00 0.00 H new ATOM 0 HA PHE B 654 2.309 -6.606 5.345 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.705 -6.767 4.681 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.209 -6.431 6.325 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.032 -8.877 4.502 1.00 0.00 H new ATOM 0 HD2 PHE B 654 5.859 -8.230 7.620 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.043 -11.285 4.989 1.00 0.00 H new ATOM 0 HE2 PHE B 654 5.873 -10.636 8.110 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.461 -12.169 6.799 1.00 0.00 H new ATOM 1621 N GLY B 655 3.408 -6.225 8.418 1.00 0.00 N ATOM 1622 CA GLY B 655 2.982 -6.441 9.786 1.00 0.00 C ATOM 1623 C GLY B 655 3.007 -5.148 10.552 1.00 0.00 C ATOM 1624 O GLY B 655 3.226 -5.122 11.763 1.00 0.00 O ATOM 0 H GLY B 655 4.338 -5.820 8.314 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.976 -6.859 9.799 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.636 -7.169 10.267 1.00 0.00 H new ATOM 1628 N GLN B 656 2.775 -4.069 9.830 1.00 0.00 N ATOM 1629 CA GLN B 656 2.981 -2.741 10.366 1.00 0.00 C ATOM 1630 C GLN B 656 1.701 -1.897 10.292 1.00 0.00 C ATOM 1631 O GLN B 656 1.510 -0.995 11.106 1.00 0.00 O ATOM 1632 CB GLN B 656 4.137 -2.068 9.623 1.00 0.00 C ATOM 1633 CG GLN B 656 5.510 -2.691 9.871 1.00 0.00 C ATOM 1634 CD GLN B 656 5.788 -3.960 9.073 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.200 -4.063 7.895 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 6.526 -4.834 9.513 1.00 0.00 N flip ATOM 0 H GLN B 656 2.442 -4.088 8.866 1.00 0.00 H new ATOM 0 HA GLN B 656 3.239 -2.825 11.422 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.929 -2.097 8.554 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.173 -1.018 9.912 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.277 -1.954 9.633 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.604 -2.918 10.933 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.963 -4.720 10.428 1.00 0.00 H new ATOM 0 HE22 GLN B 656 6.703 -5.676 8.965 1.00 0.00 H new ATOM 1645 N GLY B 657 0.825 -2.177 9.320 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.484 -1.535 9.319 1.00 0.00 C ATOM 1647 C GLY B 657 -0.912 -0.960 7.975 1.00 0.00 C ATOM 1648 O GLY B 657 -0.263 -1.184 6.952 1.00 0.00 O ATOM 0 H GLY B 657 0.995 -2.823 8.549 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.230 -2.262 9.642 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.480 -0.733 10.057 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.027 -0.224 7.997 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.576 0.436 6.809 1.00 0.00 C ATOM 1654 C TRP B 658 -2.063 1.880 6.770 1.00 0.00 C ATOM 1655 O TRP B 658 -2.580 2.750 7.475 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.120 0.392 6.875 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.865 0.808 5.633 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.199 1.099 5.580 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.371 0.969 4.286 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.570 1.420 4.302 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.473 1.355 3.491 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.122 0.831 3.666 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.362 1.596 2.127 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.021 1.075 2.310 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.133 1.453 1.556 1.00 0.00 C ATOM 0 H TRP B 658 -2.576 -0.069 8.842 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.258 -0.073 5.899 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.420 -0.625 7.127 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.443 1.032 7.696 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.867 1.079 6.428 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.513 1.668 4.004 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.254 0.539 4.238 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.220 1.887 1.540 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.062 0.971 1.824 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.017 1.636 0.498 1.00 0.00 H new ATOM 1676 N SER B 659 -1.047 2.134 5.951 1.00 0.00 N ATOM 1677 CA SER B 659 -0.292 3.374 6.047 1.00 0.00 C ATOM 1678 C SER B 659 -0.172 4.091 4.704 1.00 0.00 C ATOM 1679 O SER B 659 -0.558 3.565 3.670 1.00 0.00 O ATOM 1680 CB SER B 659 1.098 3.074 6.607 1.00 0.00 C ATOM 1681 OG SER B 659 1.001 2.459 7.880 1.00 0.00 O ATOM 0 H SER B 659 -0.730 1.500 5.218 1.00 0.00 H new ATOM 0 HA SER B 659 -0.834 4.043 6.716 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.639 2.421 5.922 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.671 3.998 6.686 1.00 0.00 H new ATOM 0 HG SER B 659 1.900 2.273 8.223 1.00 0.00 H new ATOM 1687 N SER B 660 0.315 5.323 4.757 1.00 0.00 N ATOM 1688 CA SER B 660 0.613 6.107 3.574 1.00 0.00 C ATOM 1689 C SER B 660 1.787 7.023 3.864 1.00 0.00 C ATOM 1690 O SER B 660 2.032 7.384 5.017 1.00 0.00 O ATOM 1691 CB SER B 660 -0.602 6.939 3.161 1.00 0.00 C ATOM 1692 OG SER B 660 -0.296 7.783 2.065 1.00 0.00 O ATOM 0 H SER B 660 0.515 5.808 5.632 1.00 0.00 H new ATOM 0 HA SER B 660 0.864 5.433 2.755 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.426 6.277 2.895 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.937 7.542 4.005 1.00 0.00 H new ATOM 0 HG SER B 660 -1.047 8.391 1.901 1.00 0.00 H new ATOM 1698 N CYS B 661 2.511 7.391 2.815 1.00 0.00 N ATOM 1699 CA CYS B 661 3.656 8.280 2.939 1.00 0.00 C ATOM 1700 C CYS B 661 3.200 9.668 3.361 1.00 0.00 C ATOM 1701 O CYS B 661 4.003 10.498 3.789 1.00 0.00 O ATOM 1702 CB CYS B 661 4.411 8.355 1.613 1.00 0.00 C ATOM 1703 SG CYS B 661 4.946 6.748 0.984 1.00 0.00 S ATOM 0 H CYS B 661 2.322 7.084 1.861 1.00 0.00 H new ATOM 0 HA CYS B 661 4.326 7.884 3.702 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.773 8.831 0.869 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.285 8.994 1.739 1.00 0.00 H new ATOM 0 HG CYS B 661 4.004 6.234 0.249 1.00 0.00 H new ATOM 1709 N CYS B 662 1.903 9.911 3.243 1.00 0.00 N ATOM 1710 CA CYS B 662 1.321 11.165 3.662 1.00 0.00 C ATOM 1711 C CYS B 662 -0.162 10.966 3.923 1.00 0.00 C ATOM 1712 O CYS B 662 -0.999 11.215 3.050 1.00 0.00 O ATOM 1713 CB CYS B 662 1.541 12.253 2.608 1.00 0.00 C ATOM 1714 SG CYS B 662 1.049 13.909 3.144 1.00 0.00 S ATOM 0 H CYS B 662 1.233 9.246 2.856 1.00 0.00 H new ATOM 0 HA CYS B 662 1.810 11.493 4.579 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.596 12.270 2.333 1.00 0.00 H new ATOM 0 HB3 CYS B 662 0.982 11.992 1.710 1.00 0.00 H new ATOM 0 HG CYS B 662 1.275 14.760 2.187 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.502 10.492 5.133 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.889 10.231 5.523 1.00 0.00 C ATOM 1722 C PRO B 663 -2.760 11.463 5.380 1.00 0.00 C ATOM 1723 O PRO B 663 -3.949 11.362 5.086 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.780 9.831 6.992 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.388 9.330 7.143 1.00 0.00 C ATOM 1726 CD PRO B 663 0.442 10.166 6.217 1.00 0.00 C ATOM 0 HA PRO B 663 -2.352 9.470 4.895 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.969 10.680 7.649 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.508 9.061 7.248 1.00 0.00 H new ATOM 0 HG2 PRO B 663 -0.045 9.428 8.173 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.321 8.273 6.884 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.817 11.063 6.709 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.309 9.619 5.847 1.00 0.00 H new ATOM 1734 N GLU B 664 -2.152 12.622 5.578 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.823 13.876 5.424 1.00 0.00 C ATOM 1736 C GLU B 664 -3.385 13.998 4.014 1.00 0.00 C ATOM 1737 O GLU B 664 -4.575 14.215 3.831 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.821 14.986 5.689 1.00 0.00 C ATOM 1739 CG GLU B 664 -2.422 16.357 5.623 1.00 0.00 C ATOM 1740 CD GLU B 664 -3.211 16.711 6.865 1.00 0.00 C ATOM 1741 OE1 GLU B 664 -4.370 16.259 6.997 1.00 0.00 O ATOM 1742 OE2 GLU B 664 -2.670 17.438 7.721 1.00 0.00 O1- ATOM 0 H GLU B 664 -1.173 12.705 5.851 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.653 13.948 6.127 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -1.378 14.838 6.674 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.012 14.916 4.962 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -1.628 17.090 5.481 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -3.075 16.421 4.753 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.519 13.806 3.026 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.889 13.965 1.626 1.00 0.00 C ATOM 1751 C ARG B 665 -3.825 12.845 1.167 1.00 0.00 C ATOM 1752 O ARG B 665 -4.805 13.106 0.470 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.621 14.011 0.765 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.876 14.210 -0.719 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.578 14.460 -1.471 1.00 0.00 C ATOM 1756 NE ARG B 665 -0.753 14.380 -2.921 1.00 0.00 N ATOM 1757 CZ ARG B 665 -0.010 15.039 -3.810 1.00 0.00 C ATOM 1758 NH1 ARG B 665 0.944 15.875 -3.413 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -0.226 14.855 -5.103 1.00 0.00 N ATOM 0 H ARG B 665 -1.546 13.537 3.172 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.432 14.903 1.511 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.983 14.819 1.123 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.068 13.082 0.905 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.372 13.329 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.552 15.053 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.192 15.445 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG B 665 0.168 13.730 -1.156 1.00 0.00 H new ATOM 0 HE ARG B 665 -1.495 13.778 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG B 665 1.115 16.018 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG B 665 1.505 16.373 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -0.956 14.213 -5.412 1.00 0.00 H new ATOM 0 HH22 ARG B 665 0.338 15.355 -5.790 1.00 0.00 H new ATOM 1773 N THR B 666 -3.544 11.606 1.569 1.00 0.00 N ATOM 1774 CA THR B 666 -4.406 10.487 1.209 1.00 0.00 C ATOM 1775 C THR B 666 -5.807 10.676 1.804 1.00 0.00 C ATOM 1776 O THR B 666 -6.811 10.440 1.134 1.00 0.00 O ATOM 1777 CB THR B 666 -3.801 9.137 1.666 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.456 9.034 1.176 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.612 7.943 1.156 1.00 0.00 C ATOM 0 H THR B 666 -2.735 11.356 2.138 1.00 0.00 H new ATOM 0 HA THR B 666 -4.486 10.465 0.122 1.00 0.00 H new ATOM 0 HB THR B 666 -3.820 9.114 2.756 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.471 8.796 0.226 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.152 7.017 1.500 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.631 8.006 1.538 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.632 7.955 0.066 1.00 0.00 H new ATOM 1787 N SER B 667 -5.874 11.148 3.046 1.00 0.00 N ATOM 1788 CA SER B 667 -7.160 11.397 3.686 1.00 0.00 C ATOM 1789 C SER B 667 -7.798 12.674 3.138 1.00 0.00 C ATOM 1790 O SER B 667 -9.016 12.779 3.048 1.00 0.00 O ATOM 1791 CB SER B 667 -6.996 11.492 5.203 1.00 0.00 C ATOM 1792 OG SER B 667 -8.252 11.494 5.867 1.00 0.00 O ATOM 0 H SER B 667 -5.061 11.364 3.623 1.00 0.00 H new ATOM 0 HA SER B 667 -7.820 10.559 3.461 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.398 10.653 5.558 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.450 12.401 5.454 1.00 0.00 H new ATOM 0 HG SER B 667 -8.110 11.554 6.835 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.976 13.650 2.785 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.459 14.884 2.204 1.00 0.00 C ATOM 1800 C GLN B 668 -8.120 14.688 0.851 1.00 0.00 C ATOM 1801 O GLN B 668 -9.244 15.133 0.625 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.309 15.836 2.061 1.00 0.00 C ATOM 1803 CG GLN B 668 -6.319 16.875 3.141 1.00 0.00 C ATOM 1804 CD GLN B 668 -7.618 17.663 3.189 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -8.570 17.202 3.986 1.00 0.00 O flip ATOM 1806 NE2 GLN B 668 -7.761 18.686 2.519 1.00 0.00 N flip ATOM 0 H GLN B 668 -5.963 13.606 2.894 1.00 0.00 H new ATOM 0 HA GLN B 668 -8.221 15.282 2.874 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.371 15.283 2.096 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.357 16.322 1.087 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.157 16.392 4.105 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.488 17.563 2.985 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -7.005 19.011 1.916 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -8.635 19.209 2.567 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.424 14.014 -0.044 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.865 13.926 -1.422 1.00 0.00 C ATOM 1817 C LEU B 669 -8.796 12.742 -1.632 1.00 0.00 C ATOM 1818 O LEU B 669 -9.742 12.817 -2.409 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.656 13.811 -2.347 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.511 14.784 -2.044 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.422 14.664 -3.094 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -6.011 16.220 -1.946 1.00 0.00 C ATOM 0 H LEU B 669 -6.554 13.521 0.157 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.419 14.834 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.271 12.793 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -6.987 13.971 -3.373 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.091 14.516 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.617 15.362 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.031 13.647 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.835 14.898 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.173 16.883 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.470 16.511 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.748 16.295 -1.146 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.522 11.654 -0.933 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.266 10.418 -1.131 1.00 0.00 C ATOM 1836 C PHE B 670 -10.185 10.132 0.050 1.00 0.00 C ATOM 1837 O PHE B 670 -10.873 9.109 0.079 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.285 9.263 -1.326 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.213 9.570 -2.334 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.543 9.911 -3.635 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -5.877 9.515 -1.979 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.560 10.193 -4.562 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -4.889 9.796 -2.902 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.231 10.135 -4.195 1.00 0.00 C ATOM 0 H PHE B 670 -7.791 11.599 -0.224 1.00 0.00 H new ATOM 0 HA PHE B 670 -9.889 10.526 -2.019 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.820 9.023 -0.370 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -8.834 8.377 -1.645 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.582 9.957 -3.928 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.604 9.249 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.831 10.459 -5.573 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.850 9.750 -2.612 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.460 10.355 -4.919 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.176 11.045 1.024 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.977 10.914 2.247 1.00 0.00 C ATOM 1856 C ASP B 671 -10.530 9.713 3.076 1.00 0.00 C ATOM 1857 O ASP B 671 -11.149 9.382 4.085 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.470 10.789 1.925 1.00 0.00 C ATOM 1859 CG ASP B 671 -13.106 12.092 1.482 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.702 12.638 0.434 1.00 0.00 O ATOM 1861 OD2 ASP B 671 -14.032 12.565 2.173 1.00 0.00 O1- ATOM 0 H ASP B 671 -9.614 11.896 0.989 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.819 11.822 2.830 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.603 10.044 1.140 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.994 10.420 2.807 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.426 9.100 2.681 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.045 7.810 3.227 1.00 0.00 C ATOM 1868 C LEU B 672 -7.964 7.959 4.287 1.00 0.00 C ATOM 1869 O LEU B 672 -6.869 8.441 4.002 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.564 6.879 2.108 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.231 5.460 2.568 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.502 4.732 2.980 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.497 4.689 1.480 1.00 0.00 C ATOM 0 H LEU B 672 -8.780 9.475 1.986 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.924 7.372 3.699 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.334 6.827 1.339 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.679 7.315 1.644 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.569 5.526 3.432 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -9.253 3.722 3.306 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.980 5.270 3.798 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -10.184 4.682 2.131 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -7.273 3.683 1.835 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.124 4.629 0.591 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.567 5.202 1.234 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.258 7.541 5.525 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.310 7.647 6.628 1.00 0.00 C ATOM 1887 C PRO B 673 -6.165 6.653 6.486 1.00 0.00 C ATOM 1888 O PRO B 673 -6.344 5.541 5.981 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.152 7.334 7.863 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.280 6.499 7.364 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.523 6.913 5.938 1.00 0.00 C ATOM 0 HA PRO B 673 -6.836 8.628 6.671 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.568 6.800 8.613 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.516 8.247 8.333 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.033 5.439 7.423 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.173 6.652 7.970 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.766 6.056 5.310 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.357 7.610 5.862 1.00 0.00 H new ATOM 1899 N CYS B 674 -4.990 7.065 6.923 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.793 6.248 6.805 1.00 0.00 C ATOM 1901 C CYS B 674 -2.867 6.477 7.991 1.00 0.00 C ATOM 1902 O CYS B 674 -2.891 7.534 8.620 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.075 6.582 5.491 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.900 5.933 4.021 1.00 0.00 S ATOM 0 H CYS B 674 -4.837 7.970 7.368 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.079 5.196 6.801 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.990 7.665 5.400 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.061 6.185 5.531 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.112 5.574 4.326 1.00 0.00 H new ATOM 1910 N SER B 675 -2.082 5.465 8.308 1.00 0.00 N ATOM 1911 CA SER B 675 -1.028 5.589 9.300 1.00 0.00 C ATOM 1912 C SER B 675 0.224 6.085 8.592 1.00 0.00 C ATOM 1913 O SER B 675 0.304 6.004 7.373 1.00 0.00 O ATOM 1914 CB SER B 675 -0.782 4.235 9.969 1.00 0.00 C ATOM 1915 OG SER B 675 -1.994 3.688 10.473 1.00 0.00 O ATOM 0 H SER B 675 -2.155 4.538 7.889 1.00 0.00 H new ATOM 0 HA SER B 675 -1.311 6.296 10.080 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.339 3.546 9.250 1.00 0.00 H new ATOM 0 HB3 SER B 675 -0.066 4.352 10.782 1.00 0.00 H new ATOM 0 HG SER B 675 -2.493 3.269 9.741 1.00 0.00 H new ATOM 1921 N LYS B 676 1.183 6.630 9.316 1.00 0.00 N ATOM 1922 CA LYS B 676 2.365 7.168 8.664 1.00 0.00 C ATOM 1923 C LYS B 676 3.297 6.058 8.203 1.00 0.00 C ATOM 1924 O LYS B 676 3.777 5.256 9.006 1.00 0.00 O ATOM 1925 CB LYS B 676 3.121 8.133 9.571 1.00 0.00 C ATOM 1926 CG LYS B 676 4.323 8.769 8.891 1.00 0.00 C ATOM 1927 CD LYS B 676 3.915 9.542 7.644 1.00 0.00 C ATOM 1928 CE LYS B 676 5.100 10.242 6.999 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.710 11.255 7.900 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.171 6.712 10.333 1.00 0.00 H new ATOM 0 HA LYS B 676 2.017 7.719 7.791 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.442 8.918 9.904 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.454 7.600 10.462 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.824 9.440 9.589 1.00 0.00 H new ATOM 0 HG3 LYS B 676 5.042 7.995 8.622 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.462 8.859 6.926 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.156 10.279 7.906 1.00 0.00 H new ATOM 0 HE2 LYS B 676 5.852 9.502 6.725 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.777 10.725 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.336 11.877 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.959 11.823 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.262 10.775 8.639 1.00 0.00 H new ATOM 1943 N LEU B 677 3.532 6.016 6.902 1.00 0.00 N ATOM 1944 CA LEU B 677 4.503 5.107 6.325 1.00 0.00 C ATOM 1945 C LEU B 677 5.891 5.725 6.461 1.00 0.00 C ATOM 1946 O LEU B 677 6.213 6.714 5.794 1.00 0.00 O ATOM 1947 CB LEU B 677 4.137 4.818 4.852 1.00 0.00 C ATOM 1948 CG LEU B 677 4.991 3.773 4.111 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.336 4.340 3.678 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.188 2.542 4.976 1.00 0.00 C ATOM 0 H LEU B 677 3.057 6.608 6.221 1.00 0.00 H new ATOM 0 HA LEU B 677 4.499 4.153 6.852 1.00 0.00 H new ATOM 0 HB2 LEU B 677 3.098 4.491 4.819 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.194 5.755 4.299 1.00 0.00 H new ATOM 0 HG LEU B 677 4.451 3.490 3.207 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.906 3.569 3.159 1.00 0.00 H new ATOM 0 HD12 LEU B 677 6.176 5.185 3.009 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.890 4.672 4.556 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.794 1.813 4.438 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.694 2.823 5.900 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.218 2.104 5.212 1.00 0.00 H new ATOM 1962 N SER B 678 6.689 5.165 7.354 1.00 0.00 N ATOM 1963 CA SER B 678 8.021 5.680 7.620 1.00 0.00 C ATOM 1964 C SER B 678 9.071 4.580 7.515 1.00 0.00 C ATOM 1965 O SER B 678 8.745 3.399 7.386 1.00 0.00 O ATOM 1966 CB SER B 678 8.072 6.316 9.011 1.00 0.00 C ATOM 1967 OG SER B 678 7.088 7.330 9.152 1.00 0.00 O ATOM 0 H SER B 678 6.435 4.348 7.910 1.00 0.00 H new ATOM 0 HA SER B 678 8.244 6.437 6.868 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.918 5.549 9.770 1.00 0.00 H new ATOM 0 HB3 SER B 678 9.061 6.740 9.183 1.00 0.00 H new ATOM 0 HG SER B 678 7.143 7.717 10.051 1.00 0.00 H new ATOM 1973 N VAL B 679 10.333 4.984 7.556 1.00 0.00 N ATOM 1974 CA VAL B 679 11.452 4.063 7.512 1.00 0.00 C ATOM 1975 C VAL B 679 11.377 3.030 8.642 1.00 0.00 C ATOM 1976 O VAL B 679 11.236 3.373 9.816 1.00 0.00 O ATOM 1977 CB VAL B 679 12.781 4.850 7.547 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.719 5.976 8.565 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.964 3.940 7.828 1.00 0.00 C ATOM 0 H VAL B 679 10.607 5.964 7.621 1.00 0.00 H new ATOM 0 HA VAL B 679 11.405 3.506 6.576 1.00 0.00 H new ATOM 0 HB VAL B 679 12.926 5.286 6.559 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.667 6.514 8.570 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.914 6.661 8.301 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.532 5.561 9.555 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.881 4.530 7.845 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.828 3.454 8.794 1.00 0.00 H new ATOM 0 HG23 VAL B 679 14.034 3.183 7.047 1.00 0.00 H new ATOM 1989 N GLY B 680 11.478 1.763 8.264 1.00 0.00 N ATOM 1990 CA GLY B 680 11.278 0.673 9.194 1.00 0.00 C ATOM 1991 C GLY B 680 10.024 -0.121 8.889 1.00 0.00 C ATOM 1992 O GLY B 680 9.884 -1.264 9.324 1.00 0.00 O ATOM 0 H GLY B 680 11.699 1.469 7.313 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.142 0.009 9.163 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.217 1.070 10.207 1.00 0.00 H new ATOM 1996 N ASP B 681 9.112 0.474 8.126 1.00 0.00 N ATOM 1997 CA ASP B 681 7.848 -0.184 7.819 1.00 0.00 C ATOM 1998 C ASP B 681 7.992 -1.108 6.614 1.00 0.00 C ATOM 1999 O ASP B 681 8.204 -0.661 5.491 1.00 0.00 O ATOM 2000 CB ASP B 681 6.726 0.835 7.565 1.00 0.00 C ATOM 2001 CG ASP B 681 6.288 1.569 8.820 1.00 0.00 C ATOM 2002 OD1 ASP B 681 5.733 0.918 9.731 1.00 0.00 O ATOM 2003 OD2 ASP B 681 6.464 2.802 8.900 1.00 0.00 O1- ATOM 0 H ASP B 681 9.223 1.400 7.713 1.00 0.00 H new ATOM 0 HA ASP B 681 7.577 -0.780 8.691 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.065 1.562 6.827 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.867 0.320 7.135 1.00 0.00 H new ATOM 2008 N VAL B 682 7.861 -2.405 6.848 1.00 0.00 N ATOM 2009 CA VAL B 682 7.989 -3.384 5.774 1.00 0.00 C ATOM 2010 C VAL B 682 6.779 -3.319 4.851 1.00 0.00 C ATOM 2011 O VAL B 682 5.714 -3.824 5.183 1.00 0.00 O ATOM 2012 CB VAL B 682 8.113 -4.818 6.333 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.209 -5.832 5.207 1.00 0.00 C ATOM 2014 CG2 VAL B 682 9.303 -4.940 7.266 1.00 0.00 C ATOM 0 H VAL B 682 7.667 -2.805 7.766 1.00 0.00 H new ATOM 0 HA VAL B 682 8.895 -3.141 5.218 1.00 0.00 H new ATOM 0 HB VAL B 682 7.211 -5.030 6.907 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.296 -6.834 5.626 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.314 -5.774 4.588 1.00 0.00 H new ATOM 0 HG13 VAL B 682 9.087 -5.617 4.597 1.00 0.00 H new ATOM 0 HG21 VAL B 682 9.366 -5.960 7.644 1.00 0.00 H new ATOM 0 HG22 VAL B 682 10.217 -4.697 6.724 1.00 0.00 H new ATOM 0 HG23 VAL B 682 9.183 -4.250 8.101 1.00 0.00 H new ATOM 2024 N CYS B 683 6.959 -2.752 3.676 1.00 0.00 N ATOM 2025 CA CYS B 683 5.841 -2.488 2.788 1.00 0.00 C ATOM 2026 C CYS B 683 5.449 -3.723 2.000 1.00 0.00 C ATOM 2027 O CYS B 683 6.296 -4.518 1.585 1.00 0.00 O ATOM 2028 CB CYS B 683 6.174 -1.332 1.850 1.00 0.00 C ATOM 2029 SG CYS B 683 6.415 0.238 2.712 1.00 0.00 S ATOM 0 H CYS B 683 7.867 -2.465 3.312 1.00 0.00 H new ATOM 0 HA CYS B 683 4.985 -2.208 3.402 1.00 0.00 H new ATOM 0 HB2 CYS B 683 7.078 -1.575 1.291 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.370 -1.220 1.122 1.00 0.00 H new ATOM 0 HG CYS B 683 7.250 0.977 2.043 1.00 0.00 H new ATOM 2035 N ILE B 684 4.149 -3.877 1.830 1.00 0.00 N ATOM 2036 CA ILE B 684 3.581 -4.982 1.091 1.00 0.00 C ATOM 2037 C ILE B 684 3.654 -4.724 -0.411 1.00 0.00 C ATOM 2038 O ILE B 684 2.989 -3.823 -0.922 1.00 0.00 O ATOM 2039 CB ILE B 684 2.099 -5.193 1.487 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.993 -5.809 2.879 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.360 -6.054 0.468 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.569 -5.902 3.386 1.00 0.00 C ATOM 0 H ILE B 684 3.454 -3.231 2.205 1.00 0.00 H new ATOM 0 HA ILE B 684 4.159 -5.874 1.334 1.00 0.00 H new ATOM 0 HB ILE B 684 1.624 -4.212 1.501 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.431 -6.807 2.861 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.582 -5.215 3.578 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.323 -6.179 0.781 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.388 -5.568 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.839 -7.031 0.401 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.565 -6.349 4.380 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.134 -4.904 3.435 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.019 -6.521 2.708 1.00 0.00 H new ATOM 2054 N SER B 685 4.475 -5.481 -1.113 1.00 0.00 N ATOM 2055 CA SER B 685 4.393 -5.499 -2.559 1.00 0.00 C ATOM 2056 C SER B 685 3.515 -6.662 -2.953 1.00 0.00 C ATOM 2057 O SER B 685 3.824 -7.811 -2.647 1.00 0.00 O ATOM 2058 CB SER B 685 5.771 -5.649 -3.201 1.00 0.00 C ATOM 2059 OG SER B 685 5.723 -5.409 -4.600 1.00 0.00 O ATOM 0 H SER B 685 5.195 -6.082 -0.713 1.00 0.00 H new ATOM 0 HA SER B 685 3.977 -4.554 -2.909 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.468 -4.953 -2.735 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.152 -6.653 -3.016 1.00 0.00 H new ATOM 0 HG SER B 685 6.620 -5.511 -4.980 1.00 0.00 H new ATOM 2065 N LEU B 686 2.414 -6.379 -3.604 1.00 0.00 N ATOM 2066 CA LEU B 686 1.493 -7.419 -3.949 1.00 0.00 C ATOM 2067 C LEU B 686 1.467 -7.625 -5.447 1.00 0.00 C ATOM 2068 O LEU B 686 1.342 -6.678 -6.216 1.00 0.00 O ATOM 2069 CB LEU B 686 0.116 -7.084 -3.403 1.00 0.00 C ATOM 2070 CG LEU B 686 -0.562 -8.245 -2.701 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.525 -7.745 -1.650 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -1.273 -9.121 -3.715 1.00 0.00 C ATOM 0 H LEU B 686 2.140 -5.443 -3.901 1.00 0.00 H new ATOM 0 HA LEU B 686 1.817 -8.357 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU B 686 0.205 -6.251 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.518 -6.747 -4.223 1.00 0.00 H new ATOM 0 HG LEU B 686 0.198 -8.843 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -2.000 -8.594 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -0.983 -7.155 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -2.288 -7.125 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.757 -9.952 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 686 -2.024 -8.532 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.549 -9.509 -4.432 1.00 0.00 H new ATOM 2084 N THR B 687 1.600 -8.865 -5.854 1.00 0.00 N ATOM 2085 CA THR B 687 1.680 -9.182 -7.254 1.00 0.00 C ATOM 2086 C THR B 687 0.332 -9.642 -7.785 1.00 0.00 C ATOM 2087 O THR B 687 -0.233 -10.629 -7.315 1.00 0.00 O ATOM 2088 CB THR B 687 2.726 -10.277 -7.494 1.00 0.00 C ATOM 2089 OG1 THR B 687 3.997 -9.861 -6.976 1.00 0.00 O ATOM 2090 CG2 THR B 687 2.851 -10.596 -8.969 1.00 0.00 C ATOM 0 H THR B 687 1.655 -9.671 -5.231 1.00 0.00 H new ATOM 0 HA THR B 687 1.976 -8.277 -7.786 1.00 0.00 H new ATOM 0 HB THR B 687 2.400 -11.179 -6.975 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.687 -9.991 -7.659 1.00 0.00 H new ATOM 0 HG21 THR B 687 3.600 -11.376 -9.110 1.00 0.00 H new ATOM 0 HG22 THR B 687 1.890 -10.942 -9.349 1.00 0.00 H new ATOM 0 HG23 THR B 687 3.154 -9.700 -9.511 1.00 0.00 H new ATOM 2098 N LEU B 688 -0.182 -8.899 -8.748 1.00 0.00 N ATOM 2099 CA LEU B 688 -1.378 -9.292 -9.462 1.00 0.00 C ATOM 2100 C LEU B 688 -0.969 -9.927 -10.781 1.00 0.00 C ATOM 2101 O LEU B 688 -0.684 -9.223 -11.750 1.00 0.00 O ATOM 2102 CB LEU B 688 -2.263 -8.068 -9.728 1.00 0.00 C ATOM 2103 CG LEU B 688 -3.517 -7.923 -8.858 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -4.533 -8.996 -9.207 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -3.173 -7.970 -7.373 1.00 0.00 C ATOM 0 H LEU B 688 0.217 -8.012 -9.054 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.945 -10.005 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.654 -7.173 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.574 -8.094 -10.772 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.956 -6.947 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -5.417 -8.878 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.817 -8.901 -10.255 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -4.096 -9.980 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -4.085 -7.864 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.699 -8.923 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -2.489 -7.156 -7.132 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.921 -11.248 -10.814 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.484 -11.965 -11.994 1.00 0.00 C ATOM 2119 C LYS B 689 -1.492 -11.825 -13.124 1.00 0.00 C ATOM 2120 O LYS B 689 -1.259 -10.999 -14.029 1.00 0.00 O ATOM 2121 CB LYS B 689 -0.254 -13.434 -11.659 1.00 0.00 C ATOM 2122 CG LYS B 689 1.095 -13.701 -11.011 1.00 0.00 C ATOM 2123 CD LYS B 689 2.252 -13.378 -11.950 1.00 0.00 C ATOM 2124 CE LYS B 689 2.242 -14.269 -13.182 1.00 0.00 C ATOM 2125 NZ LYS B 689 3.381 -13.974 -14.090 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -2.520 -12.532 -13.097 1.00 0.00 O ATOM 0 H LYS B 689 -1.182 -11.847 -10.030 1.00 0.00 H new ATOM 0 HA LYS B 689 0.457 -11.530 -12.331 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -1.044 -13.774 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.333 -14.024 -12.572 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.186 -13.104 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.153 -14.747 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.192 -12.334 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.196 -13.501 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS B 689 2.284 -15.314 -12.874 1.00 0.00 H new ATOM 0 HE3 LYS B 689 1.304 -14.133 -13.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 3.337 -14.603 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 3.327 -12.984 -14.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.277 -14.128 -13.585 1.00 0.00 H new