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 667 SER OG : rot 51:sc= 0.74 USER MOD Set 1.2: B 674 CYS SG : rot -73:sc= -7.41! USER MOD Set 2.1: B 622 SER OG : rot -39:sc= 0.487 USER MOD Set 2.2: B 624 SER OG : rot 65:sc= 0.149 USER MOD Single : A 38 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.2!) USER MOD Single : A 39 SER OG : rot 71:sc= 1.5 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -140:sc= -0.0069 (180deg=-1.1) USER MOD Single : B 577 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.929) USER MOD Single : B 579 SER OG : rot 94:sc= 1.26 USER MOD Single : B 582 GLN : amide:sc= -0.0375 K(o=-0.037,f=-1) USER MOD Single : B 585 ASN : amide:sc= -4.17! C(o=-4.2!,f=-10!) USER MOD Single : B 589 LYS NZ :NH3+ -168:sc= 1.79 (180deg=1.13) USER MOD Single : B 590 LYS NZ :NH3+ 169:sc= -0.0143 (180deg=-0.136) USER MOD Single : B 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 596 THR OG1 : rot -153:sc= -2.79! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 111:sc= -0.202 USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot -86:sc= 0.0137 USER MOD Single : B 614 SER OG : rot 160:sc= -1.31 USER MOD Single : B 615 THR OG1 : rot 180:sc= -1.62! USER MOD Single : B 623 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 631 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 640 GLN : amide:sc= 0 X(o=0,f=0) 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= -4.44! C(o=-11!,f=-4.4!) USER MOD Single : B 659 SER OG : rot 180:sc= -1.33 USER MOD Single : B 660 SER OG : rot -1:sc= -2.1! USER MOD Single : B 661 CYS SG : rot 47:sc= 0.246 USER MOD Single : B 662 CYS SG : rot 17:sc= -3.37! USER MOD Single : B 666 THR OG1 : rot -81:sc= 0.758 USER MOD Single : B 668 GLN :FLIP amide:sc= 0 F(o=-2.1,f=0) USER MOD Single : B 675 SER OG : rot 82:sc= 0.0566 USER MOD Single : B 676 LYS NZ :NH3+ 145:sc= 0.872 (180deg=-0.651!) USER MOD Single : B 678 SER OG : rot 9:sc= 0.869 USER MOD Single : B 683 CYS SG : rot 144:sc= -3.47! USER MOD Single : B 685 SER OG : rot 180:sc= 0 USER MOD Single : B 687 THR OG1 : rot 36:sc= -1.45! USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PHE A 35 -14.728 -3.500 -5.477 1.00 0.00 N ATOM 20 CA PHE A 35 -13.524 -3.380 -6.273 1.00 0.00 C ATOM 21 C PHE A 35 -12.512 -4.404 -5.793 1.00 0.00 C ATOM 22 O PHE A 35 -12.382 -4.622 -4.585 1.00 0.00 O ATOM 23 CB PHE A 35 -12.948 -1.967 -6.168 1.00 0.00 C ATOM 24 CG PHE A 35 -13.694 -0.972 -7.006 1.00 0.00 C ATOM 25 CD1 PHE A 35 -14.989 -0.620 -6.689 1.00 0.00 C ATOM 26 CD2 PHE A 35 -13.100 -0.403 -8.116 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.685 0.283 -7.463 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.786 0.506 -8.895 1.00 0.00 C ATOM 29 CZ PHE A 35 -15.082 0.850 -8.569 1.00 0.00 C ATOM 0 HA PHE A 35 -13.762 -3.566 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.970 -1.647 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.902 -1.982 -6.475 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.464 -1.058 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.087 -0.673 -8.377 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.700 0.547 -7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.310 0.947 -9.758 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.623 1.560 -9.177 1.00 0.00 H new ATOM 39 N PRO A 36 -11.828 -5.085 -6.733 1.00 0.00 N ATOM 40 CA PRO A 36 -10.768 -6.043 -6.407 1.00 0.00 C ATOM 41 C PRO A 36 -9.798 -5.463 -5.389 1.00 0.00 C ATOM 42 O PRO A 36 -9.328 -4.335 -5.551 1.00 0.00 O ATOM 43 CB PRO A 36 -10.079 -6.268 -7.751 1.00 0.00 C ATOM 44 CG PRO A 36 -11.155 -6.056 -8.756 1.00 0.00 C ATOM 45 CD PRO A 36 -12.043 -4.980 -8.189 1.00 0.00 C ATOM 0 HA PRO A 36 -11.146 -6.962 -5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.255 -5.570 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.662 -7.273 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.738 -5.753 -9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.716 -6.975 -8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.769 -3.994 -8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.088 -5.142 -8.453 1.00 0.00 H new ATOM 53 N TRP A 37 -9.501 -6.238 -4.352 1.00 0.00 N ATOM 54 CA TRP A 37 -8.806 -5.733 -3.176 1.00 0.00 C ATOM 55 C TRP A 37 -7.485 -5.007 -3.486 1.00 0.00 C ATOM 56 O TRP A 37 -7.050 -4.167 -2.696 1.00 0.00 O ATOM 57 CB TRP A 37 -8.579 -6.851 -2.156 1.00 0.00 C ATOM 58 CG TRP A 37 -8.001 -8.116 -2.714 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.651 -9.056 -3.461 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.669 -8.600 -2.536 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.802 -10.086 -3.766 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.581 -9.831 -3.209 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.539 -8.112 -1.878 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.415 -10.580 -3.237 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.378 -8.858 -1.910 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.325 -10.080 -2.586 1.00 0.00 C ATOM 0 H TRP A 37 -9.734 -7.230 -4.304 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.466 -4.978 -2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.914 -6.480 -1.376 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.531 -7.085 -1.679 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.685 -8.996 -3.767 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -8.042 -10.909 -4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.572 -7.168 -1.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.371 -11.526 -3.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.497 -8.492 -1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.402 -10.640 -2.593 1.00 0.00 H new ATOM 77 N HIS A 38 -6.843 -5.312 -4.619 1.00 0.00 N ATOM 78 CA HIS A 38 -5.622 -4.601 -5.011 1.00 0.00 C ATOM 79 C HIS A 38 -5.935 -3.174 -5.508 1.00 0.00 C ATOM 80 O HIS A 38 -5.458 -2.734 -6.553 1.00 0.00 O ATOM 81 CB HIS A 38 -4.851 -5.399 -6.076 1.00 0.00 C ATOM 82 CG HIS A 38 -5.462 -5.395 -7.452 1.00 0.00 C ATOM 83 ND1 HIS A 38 -4.832 -4.841 -8.546 1.00 0.00 N ATOM 84 CD2 HIS A 38 -6.636 -5.884 -7.909 1.00 0.00 C ATOM 85 CE1 HIS A 38 -5.593 -4.989 -9.613 1.00 0.00 C ATOM 86 NE2 HIS A 38 -6.692 -5.620 -9.254 1.00 0.00 N ATOM 0 H HIS A 38 -7.143 -6.036 -5.272 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.990 -4.508 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.840 -4.998 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.763 -6.432 -5.739 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.390 -6.389 -7.324 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.356 -4.651 -10.611 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.461 -5.872 -9.876 1.00 0.00 H new ATOM 95 N SER A 39 -6.710 -2.448 -4.725 1.00 0.00 N ATOM 96 CA SER A 39 -7.211 -1.141 -5.123 1.00 0.00 C ATOM 97 C SER A 39 -6.467 -0.025 -4.387 1.00 0.00 C ATOM 98 O SER A 39 -6.386 1.111 -4.852 1.00 0.00 O ATOM 99 CB SER A 39 -8.717 -1.087 -4.822 1.00 0.00 C ATOM 100 OG SER A 39 -9.263 0.194 -5.071 1.00 0.00 O ATOM 0 H SER A 39 -7.011 -2.744 -3.797 1.00 0.00 H new ATOM 0 HA SER A 39 -7.043 -0.991 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.235 -1.827 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.888 -1.357 -3.780 1.00 0.00 H new ATOM 0 HG SER A 39 -9.296 0.353 -6.037 1.00 0.00 H new ATOM 106 N LEU A 40 -5.905 -0.371 -3.241 1.00 0.00 N ATOM 107 CA LEU A 40 -5.259 0.601 -2.364 1.00 0.00 C ATOM 108 C LEU A 40 -3.820 0.192 -2.088 1.00 0.00 C ATOM 109 O LEU A 40 -3.026 0.980 -1.579 1.00 0.00 O ATOM 110 CB LEU A 40 -6.039 0.696 -1.052 1.00 0.00 C ATOM 111 CG LEU A 40 -7.138 -0.361 -0.895 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.371 -0.682 0.563 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.438 0.111 -1.536 1.00 0.00 C ATOM 0 H LEU A 40 -5.882 -1.328 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.252 1.575 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.341 0.604 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.490 1.686 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.804 -1.266 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.155 -1.434 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.450 -1.065 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.676 0.222 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.204 -0.655 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.766 1.033 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.275 0.293 -2.598 1.00 0.00 H new ATOM 125 N VAL A 41 -3.492 -1.049 -2.420 1.00 0.00 N ATOM 126 CA VAL A 41 -2.157 -1.558 -2.222 1.00 0.00 C ATOM 127 C VAL A 41 -1.298 -1.290 -3.457 1.00 0.00 C ATOM 128 O VAL A 41 -1.684 -1.618 -4.579 1.00 0.00 O ATOM 129 CB VAL A 41 -2.189 -3.070 -1.897 1.00 0.00 C ATOM 130 CG1 VAL A 41 -2.820 -3.871 -3.028 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.798 -3.576 -1.598 1.00 0.00 C ATOM 0 H VAL A 41 -4.142 -1.720 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.713 -1.039 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.808 -3.207 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.826 -4.929 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.843 -3.531 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.243 -3.727 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.839 -4.641 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.158 -3.414 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.392 -3.038 -0.741 1.00 0.00 H new ATOM 141 N PRO A 42 -0.139 -0.651 -3.265 1.00 0.00 N ATOM 142 CA PRO A 42 0.787 -0.360 -4.352 1.00 0.00 C ATOM 143 C PRO A 42 1.648 -1.569 -4.691 1.00 0.00 C ATOM 144 O PRO A 42 1.536 -2.625 -4.058 1.00 0.00 O ATOM 145 CB PRO A 42 1.644 0.761 -3.772 1.00 0.00 C ATOM 146 CG PRO A 42 1.695 0.460 -2.316 1.00 0.00 C ATOM 147 CD PRO A 42 0.365 -0.159 -1.970 1.00 0.00 C ATOM 0 HA PRO A 42 0.282 -0.094 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.641 0.770 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.203 1.739 -3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.514 -0.222 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.865 1.367 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.476 -0.969 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.313 0.571 -1.527 1.00 0.00 H new ATOM 155 N PHE A 43 2.504 -1.421 -5.681 1.00 0.00 N ATOM 156 CA PHE A 43 3.385 -2.502 -6.062 1.00 0.00 C ATOM 157 C PHE A 43 4.840 -2.105 -5.860 1.00 0.00 C ATOM 158 O PHE A 43 5.434 -1.410 -6.688 1.00 0.00 O ATOM 159 CB PHE A 43 3.136 -2.921 -7.512 1.00 0.00 C ATOM 160 CG PHE A 43 3.984 -4.081 -7.947 1.00 0.00 C ATOM 161 CD1 PHE A 43 3.963 -5.276 -7.241 1.00 0.00 C ATOM 162 CD2 PHE A 43 4.813 -3.974 -9.051 1.00 0.00 C ATOM 163 CE1 PHE A 43 4.750 -6.338 -7.633 1.00 0.00 C ATOM 164 CE2 PHE A 43 5.605 -5.034 -9.446 1.00 0.00 C ATOM 165 CZ PHE A 43 5.572 -6.219 -8.736 1.00 0.00 C ATOM 0 H PHE A 43 2.607 -0.569 -6.232 1.00 0.00 H new ATOM 0 HA PHE A 43 3.171 -3.357 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.085 -3.183 -7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.330 -2.072 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.324 -5.375 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.840 -3.050 -9.610 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.724 -7.264 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.249 -4.937 -10.308 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.188 -7.051 -9.043 1.00 0.00 H new ATOM 300 N LEU B 571 -17.662 10.326 -2.813 1.00 0.00 N ATOM 301 CA LEU B 571 -16.284 10.031 -3.151 1.00 0.00 C ATOM 302 C LEU B 571 -16.234 8.740 -3.971 1.00 0.00 C ATOM 303 O LEU B 571 -17.059 7.848 -3.768 1.00 0.00 O ATOM 304 CB LEU B 571 -15.494 9.884 -1.854 1.00 0.00 C ATOM 305 CG LEU B 571 -14.013 10.259 -1.905 1.00 0.00 C ATOM 306 CD1 LEU B 571 -13.819 11.688 -2.388 1.00 0.00 C ATOM 307 CD2 LEU B 571 -13.399 10.085 -0.532 1.00 0.00 C ATOM 0 HA LEU B 571 -15.848 10.833 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -15.974 10.498 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -15.571 8.848 -1.524 1.00 0.00 H new ATOM 0 HG LEU B 571 -13.516 9.598 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -12.755 11.922 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -14.237 11.794 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -14.326 12.374 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -12.343 10.353 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.912 10.731 0.181 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -13.499 9.046 -0.218 1.00 0.00 H new ATOM 319 N PRO B 572 -15.291 8.638 -4.926 1.00 0.00 N ATOM 320 CA PRO B 572 -15.174 7.475 -5.820 1.00 0.00 C ATOM 321 C PRO B 572 -15.076 6.140 -5.072 1.00 0.00 C ATOM 322 O PRO B 572 -14.512 6.056 -3.986 1.00 0.00 O ATOM 323 CB PRO B 572 -13.896 7.758 -6.611 1.00 0.00 C ATOM 324 CG PRO B 572 -13.752 9.240 -6.568 1.00 0.00 C ATOM 325 CD PRO B 572 -14.275 9.660 -5.226 1.00 0.00 C ATOM 0 HA PRO B 572 -16.060 7.362 -6.445 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.034 7.262 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -13.975 7.396 -7.636 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.710 9.536 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.316 9.712 -7.373 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.486 9.677 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -14.707 10.660 -5.257 1.00 0.00 H new ATOM 333 N PRO B 573 -15.632 5.080 -5.664 1.00 0.00 N ATOM 334 CA PRO B 573 -15.767 3.765 -5.024 1.00 0.00 C ATOM 335 C PRO B 573 -14.503 2.907 -5.075 1.00 0.00 C ATOM 336 O PRO B 573 -14.494 1.791 -4.574 1.00 0.00 O ATOM 337 CB PRO B 573 -16.860 3.121 -5.857 1.00 0.00 C ATOM 338 CG PRO B 573 -16.610 3.649 -7.219 1.00 0.00 C ATOM 339 CD PRO B 573 -16.168 5.071 -7.033 1.00 0.00 C ATOM 0 HA PRO B 573 -15.975 3.860 -3.958 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.797 2.033 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.852 3.392 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.844 3.065 -7.730 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.511 3.597 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.411 5.356 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -16.998 5.769 -7.145 1.00 0.00 H new ATOM 347 N TYR B 574 -13.465 3.405 -5.727 1.00 0.00 N ATOM 348 CA TYR B 574 -12.217 2.642 -5.876 1.00 0.00 C ATOM 349 C TYR B 574 -11.548 2.337 -4.534 1.00 0.00 C ATOM 350 O TYR B 574 -11.761 1.271 -3.957 1.00 0.00 O ATOM 351 CB TYR B 574 -11.255 3.371 -6.813 1.00 0.00 C ATOM 352 CG TYR B 574 -10.030 2.583 -7.230 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.156 1.348 -7.848 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.752 3.088 -7.032 1.00 0.00 C ATOM 355 CE1 TYR B 574 -9.045 0.634 -8.252 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.635 2.379 -7.431 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.787 1.153 -8.039 1.00 0.00 C ATOM 358 OH TYR B 574 -6.678 0.445 -8.444 1.00 0.00 O ATOM 0 H TYR B 574 -13.452 4.327 -6.162 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.480 1.680 -6.317 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.801 3.663 -7.710 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.927 4.289 -6.326 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -11.141 0.937 -8.016 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.629 4.051 -6.558 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -9.162 -0.326 -8.732 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.648 2.785 -7.267 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.868 0.950 -8.221 1.00 0.00 H new ATOM 368 N PHE B 575 -10.736 3.257 -4.042 1.00 0.00 N ATOM 369 CA PHE B 575 -10.024 3.049 -2.787 1.00 0.00 C ATOM 370 C PHE B 575 -10.375 4.154 -1.808 1.00 0.00 C ATOM 371 O PHE B 575 -9.862 4.207 -0.692 1.00 0.00 O ATOM 372 CB PHE B 575 -8.512 3.030 -3.039 1.00 0.00 C ATOM 373 CG PHE B 575 -7.901 4.392 -3.150 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.219 5.231 -4.202 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.015 4.836 -2.185 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.668 6.488 -4.287 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.459 6.091 -2.267 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.789 6.917 -3.319 1.00 0.00 C ATOM 0 H PHE B 575 -10.552 4.155 -4.490 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.322 2.090 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.025 2.488 -2.228 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.313 2.477 -3.957 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -8.907 4.896 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.757 4.190 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -7.924 7.137 -5.111 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -5.766 6.428 -1.510 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.356 7.904 -3.384 1.00 0.00 H new ATOM 388 N MET B 576 -11.256 5.034 -2.248 1.00 0.00 N ATOM 389 CA MET B 576 -11.641 6.195 -1.452 1.00 0.00 C ATOM 390 C MET B 576 -12.457 5.763 -0.238 1.00 0.00 C ATOM 391 O MET B 576 -12.952 4.636 -0.182 1.00 0.00 O ATOM 392 CB MET B 576 -12.457 7.168 -2.291 1.00 0.00 C ATOM 393 CG MET B 576 -11.826 7.524 -3.625 1.00 0.00 C ATOM 394 SD MET B 576 -10.432 8.647 -3.475 1.00 0.00 S ATOM 395 CE MET B 576 -10.075 8.963 -5.203 1.00 0.00 C ATOM 0 H MET B 576 -11.721 4.970 -3.153 1.00 0.00 H new ATOM 0 HA MET B 576 -10.731 6.690 -1.113 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.442 6.737 -2.472 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.610 8.083 -1.719 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.496 6.610 -4.118 1.00 0.00 H new ATOM 0 HG3 MET B 576 -12.581 7.977 -4.267 1.00 0.00 H new ATOM 0 HE1 MET B 576 -8.996 8.988 -5.353 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.508 8.172 -5.815 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.504 9.922 -5.494 1.00 0.00 H new ATOM 405 N LYS B 577 -12.610 6.671 0.719 1.00 0.00 N ATOM 406 CA LYS B 577 -13.319 6.375 1.959 1.00 0.00 C ATOM 407 C LYS B 577 -14.722 5.833 1.698 1.00 0.00 C ATOM 408 O LYS B 577 -15.463 6.357 0.863 1.00 0.00 O ATOM 409 CB LYS B 577 -13.423 7.628 2.827 1.00 0.00 C ATOM 410 CG LYS B 577 -13.967 7.349 4.218 1.00 0.00 C ATOM 411 CD LYS B 577 -14.248 8.632 4.980 1.00 0.00 C ATOM 412 CE LYS B 577 -14.662 8.346 6.413 1.00 0.00 C ATOM 413 NZ LYS B 577 -13.552 7.760 7.211 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.250 7.624 0.659 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.744 5.609 2.479 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.437 8.085 2.914 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.067 8.354 2.331 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.884 6.764 4.140 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.250 6.745 4.774 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.358 9.262 4.975 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -15.037 9.191 4.476 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -14.998 9.270 6.884 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -15.510 7.661 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -13.785 7.816 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.418 6.765 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -12.676 8.289 7.028 1.00 0.00 H new ATOM 427 N GLY B 578 -15.068 4.769 2.410 1.00 0.00 N ATOM 428 CA GLY B 578 -16.406 4.223 2.346 1.00 0.00 C ATOM 429 C GLY B 578 -16.544 3.125 1.316 1.00 0.00 C ATOM 430 O GLY B 578 -17.588 2.481 1.228 1.00 0.00 O ATOM 0 H GLY B 578 -14.437 4.271 3.037 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.681 3.832 3.326 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.109 5.023 2.113 1.00 0.00 H new ATOM 434 N SER B 579 -15.498 2.908 0.534 1.00 0.00 N ATOM 435 CA SER B 579 -15.502 1.838 -0.444 1.00 0.00 C ATOM 436 C SER B 579 -15.519 0.482 0.244 1.00 0.00 C ATOM 437 O SER B 579 -14.904 0.292 1.299 1.00 0.00 O ATOM 438 CB SER B 579 -14.285 1.934 -1.365 1.00 0.00 C ATOM 439 OG SER B 579 -14.216 0.824 -2.240 1.00 0.00 O ATOM 0 H SER B 579 -14.639 3.458 0.559 1.00 0.00 H new ATOM 0 HA SER B 579 -16.405 1.942 -1.046 1.00 0.00 H new ATOM 0 HB2 SER B 579 -14.337 2.855 -1.945 1.00 0.00 H new ATOM 0 HB3 SER B 579 -13.376 1.985 -0.766 1.00 0.00 H new ATOM 0 HG SER B 579 -14.653 1.048 -3.088 1.00 0.00 H new ATOM 445 N ILE B 580 -16.246 -0.448 -0.346 1.00 0.00 N ATOM 446 CA ILE B 580 -16.252 -1.815 0.122 1.00 0.00 C ATOM 447 C ILE B 580 -15.259 -2.622 -0.689 1.00 0.00 C ATOM 448 O ILE B 580 -15.482 -2.918 -1.869 1.00 0.00 O ATOM 449 CB ILE B 580 -17.656 -2.447 0.037 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.595 -1.788 1.052 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.585 -3.950 0.268 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.117 -1.898 2.487 1.00 0.00 C ATOM 0 H ILE B 580 -16.843 -0.277 -1.155 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.964 -1.819 1.173 1.00 0.00 H new ATOM 0 HB ILE B 580 -18.052 -2.277 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.710 -0.735 0.797 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.581 -2.245 0.971 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.586 -4.376 0.204 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.948 -4.405 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.170 -4.147 1.256 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.833 -1.409 3.147 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.029 -2.949 2.762 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.145 -1.415 2.585 1.00 0.00 H new ATOM 464 N ILE B 581 -14.144 -2.936 -0.064 1.00 0.00 N ATOM 465 CA ILE B 581 -13.070 -3.638 -0.729 1.00 0.00 C ATOM 466 C ILE B 581 -13.255 -5.139 -0.563 1.00 0.00 C ATOM 467 O ILE B 581 -13.416 -5.632 0.555 1.00 0.00 O ATOM 468 CB ILE B 581 -11.704 -3.208 -0.158 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.609 -1.680 -0.088 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.574 -3.763 -0.999 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.739 -0.982 -1.424 1.00 0.00 C ATOM 0 H ILE B 581 -13.958 -2.713 0.914 1.00 0.00 H new ATOM 0 HA ILE B 581 -13.094 -3.388 -1.790 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.615 -3.611 0.851 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.388 -1.310 0.578 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.652 -1.408 0.358 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.619 -3.448 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.626 -4.852 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.662 -3.390 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.660 0.096 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.944 -1.319 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.707 -1.219 -1.866 1.00 0.00 H new ATOM 483 N GLN B 582 -13.257 -5.857 -1.677 1.00 0.00 N ATOM 484 CA GLN B 582 -13.488 -7.292 -1.651 1.00 0.00 C ATOM 485 C GLN B 582 -12.182 -8.050 -1.764 1.00 0.00 C ATOM 486 O GLN B 582 -11.459 -7.921 -2.751 1.00 0.00 O ATOM 487 CB GLN B 582 -14.427 -7.703 -2.777 1.00 0.00 C ATOM 488 CG GLN B 582 -14.699 -9.205 -2.835 1.00 0.00 C ATOM 489 CD GLN B 582 -15.289 -9.649 -4.161 1.00 0.00 C ATOM 490 OE1 GLN B 582 -14.988 -9.081 -5.214 1.00 0.00 O ATOM 491 NE2 GLN B 582 -16.145 -10.656 -4.124 1.00 0.00 N ATOM 0 H GLN B 582 -13.102 -5.469 -2.608 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.952 -7.541 -0.697 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.374 -7.176 -2.659 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -14.001 -7.383 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.768 -9.744 -2.659 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -15.382 -9.476 -2.030 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -16.370 -11.102 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.580 -10.987 -4.985 1.00 0.00 H new ATOM 500 N LEU B 583 -11.893 -8.848 -0.750 1.00 0.00 N ATOM 501 CA LEU B 583 -10.659 -9.611 -0.714 1.00 0.00 C ATOM 502 C LEU B 583 -10.786 -10.882 -1.535 1.00 0.00 C ATOM 503 O LEU B 583 -11.883 -11.225 -1.976 1.00 0.00 O ATOM 504 CB LEU B 583 -10.297 -9.959 0.721 1.00 0.00 C ATOM 505 CG LEU B 583 -10.286 -8.780 1.681 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.005 -9.268 3.090 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.255 -7.749 1.237 1.00 0.00 C ATOM 0 H LEU B 583 -12.498 -8.984 0.060 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.868 -8.997 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -11.004 -10.702 1.089 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.312 -10.425 0.729 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.264 -8.299 1.674 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.998 -8.420 3.774 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.780 -9.972 3.393 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.035 -9.764 3.117 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.257 -6.910 1.933 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.266 -8.206 1.223 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.504 -7.392 0.238 1.00 0.00 H new ATOM 519 N ALA B 584 -9.679 -11.586 -1.732 1.00 0.00 N ATOM 520 CA ALA B 584 -9.694 -12.805 -2.531 1.00 0.00 C ATOM 521 C ALA B 584 -10.653 -13.838 -1.948 1.00 0.00 C ATOM 522 O ALA B 584 -11.319 -14.567 -2.683 1.00 0.00 O ATOM 523 CB ALA B 584 -8.302 -13.397 -2.639 1.00 0.00 C ATOM 0 H ALA B 584 -8.765 -11.337 -1.353 1.00 0.00 H new ATOM 0 HA ALA B 584 -10.042 -12.536 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.339 -14.306 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.636 -12.676 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.930 -13.636 -1.643 1.00 0.00 H new ATOM 529 N ASN B 585 -10.730 -13.879 -0.623 1.00 0.00 N ATOM 530 CA ASN B 585 -11.579 -14.838 0.069 1.00 0.00 C ATOM 531 C ASN B 585 -13.045 -14.418 0.004 1.00 0.00 C ATOM 532 O ASN B 585 -13.936 -15.199 0.329 1.00 0.00 O ATOM 533 CB ASN B 585 -11.128 -15.000 1.523 1.00 0.00 C ATOM 534 CG ASN B 585 -11.207 -13.724 2.334 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.189 -12.620 1.788 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.259 -13.867 3.645 1.00 0.00 N ATOM 0 H ASN B 585 -10.211 -13.255 -0.005 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.483 -15.801 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.743 -15.762 2.001 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -10.101 -15.365 1.536 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.286 -13.044 4.247 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.272 -14.800 4.056 1.00 0.00 H new ATOM 543 N GLY B 586 -13.291 -13.183 -0.421 1.00 0.00 N ATOM 544 CA GLY B 586 -14.651 -12.723 -0.609 1.00 0.00 C ATOM 545 C GLY B 586 -15.093 -11.716 0.433 1.00 0.00 C ATOM 546 O GLY B 586 -16.231 -11.250 0.397 1.00 0.00 O ATOM 0 H GLY B 586 -12.571 -12.494 -0.638 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.742 -12.275 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -15.324 -13.580 -0.584 1.00 0.00 H new ATOM 550 N GLU B 587 -14.201 -11.379 1.362 1.00 0.00 N ATOM 551 CA GLU B 587 -14.531 -10.429 2.415 1.00 0.00 C ATOM 552 C GLU B 587 -14.826 -9.055 1.879 1.00 0.00 C ATOM 553 O GLU B 587 -14.241 -8.612 0.892 1.00 0.00 O ATOM 554 CB GLU B 587 -13.420 -10.327 3.438 1.00 0.00 C ATOM 555 CG GLU B 587 -13.312 -11.552 4.296 1.00 0.00 C ATOM 556 CD GLU B 587 -12.456 -11.341 5.523 1.00 0.00 C ATOM 557 OE1 GLU B 587 -12.951 -10.745 6.505 1.00 0.00 O ATOM 558 OE2 GLU B 587 -11.294 -11.786 5.521 1.00 0.00 O1- ATOM 0 H GLU B 587 -13.251 -11.748 1.405 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.432 -10.816 2.891 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -12.473 -10.163 2.925 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -13.594 -9.458 4.072 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -14.310 -11.861 4.605 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.895 -12.367 3.705 1.00 0.00 H new ATOM 565 N LEU B 588 -15.732 -8.389 2.563 1.00 0.00 N ATOM 566 CA LEU B 588 -16.166 -7.062 2.187 1.00 0.00 C ATOM 567 C LEU B 588 -15.990 -6.112 3.361 1.00 0.00 C ATOM 568 O LEU B 588 -16.808 -6.082 4.282 1.00 0.00 O ATOM 569 CB LEU B 588 -17.624 -7.126 1.748 1.00 0.00 C ATOM 570 CG LEU B 588 -17.902 -8.168 0.668 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.386 -8.239 0.366 1.00 0.00 C ATOM 572 CD2 LEU B 588 -17.105 -7.846 -0.587 1.00 0.00 C ATOM 0 H LEU B 588 -16.189 -8.755 3.398 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.564 -6.689 1.358 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.245 -7.344 2.617 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.925 -6.146 1.379 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.587 -9.146 1.033 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.565 -8.987 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.929 -8.514 1.270 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.733 -7.267 0.016 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.311 -8.596 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.392 -6.862 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -16.040 -7.849 -0.353 1.00 0.00 H new ATOM 584 N LYS B 589 -14.905 -5.359 3.336 1.00 0.00 N ATOM 585 CA LYS B 589 -14.540 -4.504 4.452 1.00 0.00 C ATOM 586 C LYS B 589 -14.262 -3.091 3.956 1.00 0.00 C ATOM 587 O LYS B 589 -13.816 -2.901 2.821 1.00 0.00 O ATOM 588 CB LYS B 589 -13.305 -5.089 5.145 1.00 0.00 C ATOM 589 CG LYS B 589 -13.450 -6.569 5.467 1.00 0.00 C ATOM 590 CD LYS B 589 -12.138 -7.215 5.892 1.00 0.00 C ATOM 591 CE LYS B 589 -11.829 -6.994 7.365 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.019 -5.772 7.611 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.257 -5.322 2.549 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.361 -4.456 5.167 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.434 -4.945 4.506 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.118 -4.539 6.067 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.184 -6.692 6.263 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.839 -7.090 4.592 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.182 -8.285 5.690 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.325 -6.810 5.289 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.764 -6.921 7.920 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.295 -7.861 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -10.669 -5.779 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -10.212 -5.752 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.608 -4.929 7.460 1.00 0.00 H new ATOM 606 N LYS B 590 -14.550 -2.103 4.798 1.00 0.00 N ATOM 607 CA LYS B 590 -14.293 -0.708 4.461 1.00 0.00 C ATOM 608 C LYS B 590 -12.794 -0.459 4.345 1.00 0.00 C ATOM 609 O LYS B 590 -12.008 -1.047 5.090 1.00 0.00 O ATOM 610 CB LYS B 590 -14.906 0.226 5.508 1.00 0.00 C ATOM 611 CG LYS B 590 -16.418 0.323 5.444 1.00 0.00 C ATOM 612 CD LYS B 590 -16.880 1.316 4.393 1.00 0.00 C ATOM 613 CE LYS B 590 -18.396 1.366 4.316 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.008 1.873 5.574 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.962 -2.244 5.720 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.760 -0.498 3.499 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.617 -0.119 6.501 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.483 1.223 5.382 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.835 -0.659 5.223 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.804 0.621 6.419 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.492 2.307 4.629 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.473 1.037 3.421 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.695 2.006 3.486 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.780 0.368 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.018 2.066 5.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -18.905 1.158 6.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.529 2.749 5.864 1.00 0.00 H new ATOM 628 N VAL B 591 -12.417 0.406 3.412 1.00 0.00 N ATOM 629 CA VAL B 591 -11.014 0.610 3.038 1.00 0.00 C ATOM 630 C VAL B 591 -10.103 0.800 4.249 1.00 0.00 C ATOM 631 O VAL B 591 -9.064 0.150 4.368 1.00 0.00 O ATOM 632 CB VAL B 591 -10.851 1.852 2.144 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.495 1.850 1.468 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.961 1.947 1.121 1.00 0.00 C ATOM 0 H VAL B 591 -13.072 0.989 2.890 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.723 -0.295 2.505 1.00 0.00 H new ATOM 0 HB VAL B 591 -10.916 2.732 2.783 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.400 2.736 0.841 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.711 1.856 2.225 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.397 0.957 0.851 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.815 2.835 0.507 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.948 1.061 0.486 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -12.922 2.013 1.632 1.00 0.00 H new ATOM 644 N GLU B 592 -10.514 1.676 5.152 1.00 0.00 N ATOM 645 CA GLU B 592 -9.675 2.082 6.275 1.00 0.00 C ATOM 646 C GLU B 592 -9.583 0.995 7.342 1.00 0.00 C ATOM 647 O GLU B 592 -8.755 1.069 8.250 1.00 0.00 O ATOM 648 CB GLU B 592 -10.228 3.370 6.881 1.00 0.00 C ATOM 649 CG GLU B 592 -11.670 3.247 7.346 1.00 0.00 C ATOM 650 CD GLU B 592 -12.303 4.586 7.665 1.00 0.00 C ATOM 651 OE1 GLU B 592 -12.511 5.386 6.729 1.00 0.00 O ATOM 652 OE2 GLU B 592 -12.619 4.833 8.847 1.00 0.00 O1- ATOM 0 H GLU B 592 -11.430 2.124 5.131 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.666 2.251 5.899 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -9.605 3.662 7.726 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.159 4.169 6.143 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.255 2.750 6.572 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -11.708 2.613 8.232 1.00 0.00 H new ATOM 659 N ASP B 593 -10.425 -0.015 7.224 1.00 0.00 N ATOM 660 CA ASP B 593 -10.511 -1.067 8.228 1.00 0.00 C ATOM 661 C ASP B 593 -9.727 -2.303 7.805 1.00 0.00 C ATOM 662 O ASP B 593 -9.451 -3.187 8.614 1.00 0.00 O ATOM 663 CB ASP B 593 -11.985 -1.409 8.476 1.00 0.00 C ATOM 664 CG ASP B 593 -12.197 -2.778 9.090 1.00 0.00 C ATOM 665 OD1 ASP B 593 -12.014 -2.929 10.317 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.570 -3.709 8.344 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.065 -0.132 6.438 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.065 -0.708 9.155 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.418 -0.655 9.133 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.525 -1.357 7.531 1.00 0.00 H new ATOM 671 N LEU B 594 -9.360 -2.351 6.537 1.00 0.00 N ATOM 672 CA LEU B 594 -8.572 -3.449 6.013 1.00 0.00 C ATOM 673 C LEU B 594 -7.250 -3.557 6.758 1.00 0.00 C ATOM 674 O LEU B 594 -6.503 -2.583 6.872 1.00 0.00 O ATOM 675 CB LEU B 594 -8.324 -3.245 4.525 1.00 0.00 C ATOM 676 CG LEU B 594 -9.587 -3.174 3.671 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.281 -2.501 2.361 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.149 -4.558 3.414 1.00 0.00 C ATOM 0 H LEU B 594 -9.597 -1.637 5.848 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.125 -4.378 6.156 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.757 -2.324 4.388 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.700 -4.061 4.159 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.333 -2.595 4.215 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.187 -2.453 1.756 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -8.916 -1.491 2.547 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.519 -3.070 1.829 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.048 -4.478 2.803 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.407 -5.160 2.890 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.396 -5.032 4.364 1.00 0.00 H new ATOM 690 N LYS B 595 -6.992 -4.734 7.286 1.00 0.00 N ATOM 691 CA LYS B 595 -5.771 -4.990 8.027 1.00 0.00 C ATOM 692 C LYS B 595 -4.816 -5.794 7.164 1.00 0.00 C ATOM 693 O LYS B 595 -5.222 -6.323 6.130 1.00 0.00 O ATOM 694 CB LYS B 595 -6.070 -5.750 9.320 1.00 0.00 C ATOM 695 CG LYS B 595 -7.146 -5.105 10.178 1.00 0.00 C ATOM 696 CD LYS B 595 -6.763 -3.699 10.609 1.00 0.00 C ATOM 697 CE LYS B 595 -7.895 -3.035 11.375 1.00 0.00 C ATOM 698 NZ LYS B 595 -7.582 -1.623 11.720 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.617 -5.537 7.216 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.314 -4.036 8.289 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.378 -6.765 9.070 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.153 -5.830 9.904 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.082 -5.071 9.621 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.323 -5.719 11.061 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.870 -3.737 11.233 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.513 -3.102 9.732 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -8.806 -3.069 10.777 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -8.092 -3.596 12.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -8.380 -1.208 12.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -6.728 -1.592 12.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -7.419 -1.081 10.848 1.00 0.00 H new ATOM 712 N THR B 596 -3.563 -5.893 7.570 1.00 0.00 N ATOM 713 CA THR B 596 -2.581 -6.614 6.775 1.00 0.00 C ATOM 714 C THR B 596 -3.012 -8.064 6.559 1.00 0.00 C ATOM 715 O THR B 596 -2.895 -8.588 5.454 1.00 0.00 O ATOM 716 CB THR B 596 -1.178 -6.563 7.414 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.226 -7.221 6.577 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.169 -7.212 8.782 1.00 0.00 C ATOM 0 H THR B 596 -3.203 -5.489 8.435 1.00 0.00 H new ATOM 0 HA THR B 596 -2.525 -6.117 5.806 1.00 0.00 H new ATOM 0 HB THR B 596 -0.908 -5.513 7.524 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.511 -7.562 7.125 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.165 -7.159 9.203 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.866 -6.689 9.437 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.469 -8.256 8.691 1.00 0.00 H new ATOM 726 N GLU B 597 -3.569 -8.683 7.604 1.00 0.00 N ATOM 727 CA GLU B 597 -4.004 -10.077 7.542 1.00 0.00 C ATOM 728 C GLU B 597 -5.011 -10.292 6.420 1.00 0.00 C ATOM 729 O GLU B 597 -5.093 -11.379 5.852 1.00 0.00 O ATOM 730 CB GLU B 597 -4.626 -10.501 8.863 1.00 0.00 C ATOM 731 CG GLU B 597 -3.670 -10.469 10.039 1.00 0.00 C ATOM 732 CD GLU B 597 -4.381 -10.728 11.347 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.514 -11.906 11.737 1.00 0.00 O1- ATOM 734 OE2 GLU B 597 -4.833 -9.753 11.981 1.00 0.00 O ATOM 0 H GLU B 597 -3.729 -8.236 8.507 1.00 0.00 H new ATOM 0 HA GLU B 597 -3.122 -10.686 7.343 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.472 -9.849 9.079 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -5.021 -11.511 8.758 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.891 -11.217 9.894 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -3.176 -9.498 10.080 1.00 0.00 H new ATOM 741 N ASP B 598 -5.773 -9.251 6.113 1.00 0.00 N ATOM 742 CA ASP B 598 -6.763 -9.312 5.046 1.00 0.00 C ATOM 743 C ASP B 598 -6.082 -9.574 3.709 1.00 0.00 C ATOM 744 O ASP B 598 -6.449 -10.493 2.972 1.00 0.00 O ATOM 745 CB ASP B 598 -7.562 -8.005 4.971 1.00 0.00 C ATOM 746 CG ASP B 598 -8.449 -7.766 6.181 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.909 -8.744 6.800 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.700 -6.589 6.514 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.724 -8.351 6.590 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.449 -10.130 5.266 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -6.869 -7.170 4.868 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.181 -8.018 4.074 1.00 0.00 H new ATOM 753 N PHE B 599 -5.076 -8.764 3.404 1.00 0.00 N ATOM 754 CA PHE B 599 -4.339 -8.897 2.156 1.00 0.00 C ATOM 755 C PHE B 599 -3.432 -10.120 2.197 1.00 0.00 C ATOM 756 O PHE B 599 -3.244 -10.797 1.188 1.00 0.00 O ATOM 757 CB PHE B 599 -3.539 -7.627 1.846 1.00 0.00 C ATOM 758 CG PHE B 599 -4.402 -6.488 1.368 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.555 -6.132 2.052 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.074 -5.793 0.216 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.358 -5.102 1.602 1.00 0.00 C ATOM 762 CE2 PHE B 599 -4.876 -4.763 -0.241 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.019 -4.418 0.452 1.00 0.00 C ATOM 0 H PHE B 599 -4.752 -8.007 4.006 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.060 -9.035 1.351 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.000 -7.316 2.741 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.791 -7.852 1.086 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.829 -6.668 2.949 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.182 -6.058 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.249 -4.832 2.149 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.608 -4.228 -1.140 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.647 -3.615 0.095 1.00 0.00 H new ATOM 773 N ILE B 600 -2.872 -10.394 3.370 1.00 0.00 N ATOM 774 CA ILE B 600 -2.066 -11.582 3.577 1.00 0.00 C ATOM 775 C ILE B 600 -2.839 -12.840 3.204 1.00 0.00 C ATOM 776 O ILE B 600 -2.422 -13.593 2.328 1.00 0.00 O ATOM 777 CB ILE B 600 -1.596 -11.662 5.042 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.574 -10.557 5.308 1.00 0.00 C ATOM 779 CG2 ILE B 600 -1.016 -13.033 5.360 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.138 -10.449 6.751 1.00 0.00 C ATOM 0 H ILE B 600 -2.965 -9.802 4.195 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.193 -11.514 2.928 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.455 -11.517 5.697 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.304 -10.733 4.687 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.998 -9.603 4.996 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.693 -13.059 6.401 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.777 -13.797 5.197 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.162 -13.227 4.710 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.587 -9.641 6.853 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -1.005 -10.240 7.378 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.319 -11.388 7.064 1.00 0.00 H new ATOM 792 N GLN B 601 -3.986 -13.037 3.843 1.00 0.00 N ATOM 793 CA GLN B 601 -4.803 -14.212 3.595 1.00 0.00 C ATOM 794 C GLN B 601 -5.237 -14.286 2.146 1.00 0.00 C ATOM 795 O GLN B 601 -5.074 -15.312 1.509 1.00 0.00 O ATOM 796 CB GLN B 601 -6.034 -14.222 4.495 1.00 0.00 C ATOM 797 CG GLN B 601 -5.721 -14.551 5.938 1.00 0.00 C ATOM 798 CD GLN B 601 -6.963 -14.570 6.802 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.607 -15.607 6.964 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.312 -13.422 7.356 1.00 0.00 N ATOM 0 H GLN B 601 -4.369 -12.395 4.537 1.00 0.00 H new ATOM 0 HA GLN B 601 -4.189 -15.083 3.822 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.516 -13.246 4.449 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.750 -14.949 4.111 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.230 -15.523 5.989 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -5.018 -13.817 6.332 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.750 -12.586 7.195 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -8.144 -13.372 7.944 1.00 0.00 H new ATOM 809 N SER B 602 -5.773 -13.191 1.625 1.00 0.00 N ATOM 810 CA SER B 602 -6.289 -13.174 0.261 1.00 0.00 C ATOM 811 C SER B 602 -5.240 -13.643 -0.740 1.00 0.00 C ATOM 812 O SER B 602 -5.508 -14.504 -1.585 1.00 0.00 O ATOM 813 CB SER B 602 -6.772 -11.772 -0.097 1.00 0.00 C ATOM 814 OG SER B 602 -5.829 -10.794 0.272 1.00 0.00 O ATOM 0 H SER B 602 -5.862 -12.305 2.123 1.00 0.00 H new ATOM 0 HA SER B 602 -7.128 -13.868 0.210 1.00 0.00 H new ATOM 0 HB2 SER B 602 -6.959 -11.713 -1.169 1.00 0.00 H new ATOM 0 HB3 SER B 602 -7.720 -11.573 0.404 1.00 0.00 H new ATOM 0 HG SER B 602 -5.436 -10.398 -0.534 1.00 0.00 H new ATOM 820 N ALA B 603 -4.052 -13.077 -0.634 1.00 0.00 N ATOM 821 CA ALA B 603 -2.938 -13.457 -1.495 1.00 0.00 C ATOM 822 C ALA B 603 -2.560 -14.928 -1.312 1.00 0.00 C ATOM 823 O ALA B 603 -2.219 -15.610 -2.274 1.00 0.00 O ATOM 824 CB ALA B 603 -1.737 -12.563 -1.235 1.00 0.00 C ATOM 0 H ALA B 603 -3.829 -12.348 0.043 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.259 -13.325 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.915 -12.860 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -2.004 -11.526 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.429 -12.661 -0.194 1.00 0.00 H new ATOM 830 N GLU B 604 -2.625 -15.410 -0.077 1.00 0.00 N ATOM 831 CA GLU B 604 -2.293 -16.798 0.235 1.00 0.00 C ATOM 832 C GLU B 604 -3.340 -17.774 -0.300 1.00 0.00 C ATOM 833 O GLU B 604 -3.006 -18.848 -0.801 1.00 0.00 O ATOM 834 CB GLU B 604 -2.154 -16.945 1.744 1.00 0.00 C ATOM 835 CG GLU B 604 -0.955 -16.203 2.290 1.00 0.00 C ATOM 836 CD GLU B 604 0.348 -16.923 2.014 1.00 0.00 C ATOM 837 OE1 GLU B 604 0.821 -16.891 0.857 1.00 0.00 O1- ATOM 838 OE2 GLU B 604 0.910 -17.529 2.955 1.00 0.00 O ATOM 0 H GLU B 604 -2.907 -14.856 0.732 1.00 0.00 H new ATOM 0 HA GLU B 604 -1.351 -17.044 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -3.058 -16.573 2.227 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -2.069 -18.002 1.997 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.916 -15.207 1.849 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -1.073 -16.071 3.366 1.00 0.00 H new ATOM 845 N ILE B 605 -4.604 -17.394 -0.187 1.00 0.00 N ATOM 846 CA ILE B 605 -5.717 -18.210 -0.666 1.00 0.00 C ATOM 847 C ILE B 605 -5.715 -18.272 -2.194 1.00 0.00 C ATOM 848 O ILE B 605 -6.362 -19.125 -2.804 1.00 0.00 O ATOM 849 CB ILE B 605 -7.062 -17.628 -0.164 1.00 0.00 C ATOM 850 CG1 ILE B 605 -7.022 -17.471 1.358 1.00 0.00 C ATOM 851 CG2 ILE B 605 -8.233 -18.517 -0.568 1.00 0.00 C ATOM 852 CD1 ILE B 605 -8.143 -16.622 1.914 1.00 0.00 C ATOM 0 H ILE B 605 -4.890 -16.512 0.239 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.598 -19.220 -0.274 1.00 0.00 H new ATOM 0 HB ILE B 605 -7.206 -16.651 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -7.065 -18.459 1.817 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -6.068 -17.028 1.643 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -9.163 -18.082 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -8.272 -18.595 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -8.102 -19.510 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -8.047 -16.557 2.998 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -8.089 -15.622 1.484 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -9.102 -17.074 1.661 1.00 0.00 H new ATOM 901 N LEU B 609 -1.993 -14.052 -6.751 1.00 0.00 N ATOM 902 CA LEU B 609 -1.507 -13.014 -5.853 1.00 0.00 C ATOM 903 C LEU B 609 -0.443 -13.564 -4.915 1.00 0.00 C ATOM 904 O LEU B 609 -0.451 -14.750 -4.584 1.00 0.00 O ATOM 905 CB LEU B 609 -2.636 -12.423 -5.023 1.00 0.00 C ATOM 906 CG LEU B 609 -3.791 -11.799 -5.804 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.306 -11.145 -7.083 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.881 -12.816 -6.085 1.00 0.00 C ATOM 0 HA LEU B 609 -1.076 -12.230 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -3.039 -13.209 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.216 -11.662 -4.366 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.223 -11.017 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -4.153 -10.711 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.589 -10.360 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -2.826 -11.893 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.688 -12.340 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.470 -13.637 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.269 -13.203 -5.143 1.00 0.00 H new ATOM 920 N LYS B 610 0.462 -12.691 -4.488 1.00 0.00 N ATOM 921 CA LYS B 610 1.520 -13.055 -3.542 1.00 0.00 C ATOM 922 C LYS B 610 1.878 -11.853 -2.670 1.00 0.00 C ATOM 923 O LYS B 610 1.870 -10.714 -3.144 1.00 0.00 O ATOM 924 CB LYS B 610 2.781 -13.544 -4.272 1.00 0.00 C ATOM 925 CG LYS B 610 2.569 -14.775 -5.142 1.00 0.00 C ATOM 926 CD LYS B 610 3.860 -15.234 -5.805 1.00 0.00 C ATOM 927 CE LYS B 610 4.461 -14.152 -6.691 1.00 0.00 C ATOM 928 NZ LYS B 610 5.702 -14.614 -7.365 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.487 -11.715 -4.784 1.00 0.00 H new ATOM 0 HA LYS B 610 1.143 -13.867 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.161 -12.735 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS B 610 3.551 -13.765 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.167 -15.584 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS B 610 1.827 -14.554 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.581 -15.517 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS B 610 3.664 -16.125 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS B 610 3.731 -13.851 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS B 610 4.681 -13.271 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 6.080 -13.848 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 6.408 -14.878 -6.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 5.487 -15.440 -7.960 1.00 0.00 H new ATOM 942 N ILE B 611 2.166 -12.109 -1.397 1.00 0.00 N ATOM 943 CA ILE B 611 2.598 -11.066 -0.472 1.00 0.00 C ATOM 944 C ILE B 611 4.121 -11.024 -0.382 1.00 0.00 C ATOM 945 O ILE B 611 4.792 -12.044 -0.558 1.00 0.00 O ATOM 946 CB ILE B 611 2.031 -11.315 0.939 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.509 -11.329 0.903 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.520 -10.277 1.939 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.130 -9.963 1.079 1.00 0.00 C ATOM 0 H ILE B 611 2.107 -13.038 -0.980 1.00 0.00 H new ATOM 0 HA ILE B 611 2.224 -10.116 -0.854 1.00 0.00 H new ATOM 0 HB ILE B 611 2.393 -12.289 1.268 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.183 -11.750 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.144 -11.992 1.687 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.097 -10.490 2.921 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.608 -10.312 1.998 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.206 -9.284 1.616 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.215 -10.061 1.041 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.163 -9.546 2.042 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.202 -9.300 0.280 1.00 0.00 H new ATOM 961 N ASP B 612 4.651 -9.847 -0.115 1.00 0.00 N ATOM 962 CA ASP B 612 6.079 -9.685 0.154 1.00 0.00 C ATOM 963 C ASP B 612 6.279 -8.705 1.301 1.00 0.00 C ATOM 964 O ASP B 612 5.369 -7.952 1.644 1.00 0.00 O ATOM 965 CB ASP B 612 6.819 -9.174 -1.081 1.00 0.00 C ATOM 966 CG ASP B 612 8.294 -9.519 -1.054 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.654 -10.628 -1.500 1.00 0.00 O ATOM 968 OD2 ASP B 612 9.102 -8.681 -0.604 1.00 0.00 O1- ATOM 0 H ASP B 612 4.116 -8.979 -0.077 1.00 0.00 H new ATOM 0 HA ASP B 612 6.485 -10.660 0.422 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.365 -9.600 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.703 -8.092 -1.149 1.00 0.00 H new ATOM 973 N SER B 613 7.463 -8.715 1.891 1.00 0.00 N ATOM 974 CA SER B 613 7.787 -7.804 2.975 1.00 0.00 C ATOM 975 C SER B 613 9.128 -7.127 2.713 1.00 0.00 C ATOM 976 O SER B 613 10.161 -7.789 2.617 1.00 0.00 O ATOM 977 CB SER B 613 7.822 -8.566 4.302 1.00 0.00 C ATOM 978 OG SER B 613 6.594 -9.238 4.532 1.00 0.00 O ATOM 0 H SER B 613 8.220 -9.349 1.635 1.00 0.00 H new ATOM 0 HA SER B 613 7.018 -7.033 3.033 1.00 0.00 H new ATOM 0 HB2 SER B 613 8.639 -9.287 4.290 1.00 0.00 H new ATOM 0 HB3 SER B 613 8.020 -7.872 5.119 1.00 0.00 H new ATOM 0 HG SER B 613 5.962 -8.626 4.963 1.00 0.00 H new ATOM 984 N SER B 614 9.111 -5.809 2.578 1.00 0.00 N ATOM 985 CA SER B 614 10.334 -5.057 2.329 1.00 0.00 C ATOM 986 C SER B 614 10.423 -3.855 3.268 1.00 0.00 C ATOM 987 O SER B 614 9.511 -3.029 3.321 1.00 0.00 O ATOM 988 CB SER B 614 10.380 -4.608 0.867 1.00 0.00 C ATOM 989 OG SER B 614 10.141 -5.702 -0.006 1.00 0.00 O ATOM 0 H SER B 614 8.267 -5.239 2.636 1.00 0.00 H new ATOM 0 HA SER B 614 11.192 -5.701 2.523 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.634 -3.832 0.697 1.00 0.00 H new ATOM 0 HB3 SER B 614 11.353 -4.168 0.648 1.00 0.00 H new ATOM 0 HG SER B 614 9.858 -5.366 -0.882 1.00 0.00 H new ATOM 995 N THR B 615 11.514 -3.766 4.016 1.00 0.00 N ATOM 996 CA THR B 615 11.679 -2.715 5.008 1.00 0.00 C ATOM 997 C THR B 615 12.249 -1.446 4.383 1.00 0.00 C ATOM 998 O THR B 615 13.370 -1.448 3.888 1.00 0.00 O ATOM 999 CB THR B 615 12.622 -3.176 6.136 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.236 -4.480 6.591 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.597 -2.193 7.301 1.00 0.00 C ATOM 0 H THR B 615 12.301 -4.412 3.953 1.00 0.00 H new ATOM 0 HA THR B 615 10.691 -2.500 5.415 1.00 0.00 H new ATOM 0 HB THR B 615 13.637 -3.215 5.741 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.840 -4.769 7.307 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.270 -2.540 8.085 1.00 0.00 H new ATOM 0 HG22 THR B 615 12.919 -1.211 6.955 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.584 -2.124 7.697 1.00 0.00 H new ATOM 1009 N VAL B 616 11.469 -0.371 4.385 1.00 0.00 N ATOM 1010 CA VAL B 616 11.967 0.918 3.938 1.00 0.00 C ATOM 1011 C VAL B 616 13.114 1.401 4.826 1.00 0.00 C ATOM 1012 O VAL B 616 12.963 1.551 6.038 1.00 0.00 O ATOM 1013 CB VAL B 616 10.842 1.975 3.884 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.908 1.855 5.069 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.421 3.377 3.816 1.00 0.00 C ATOM 0 H VAL B 616 10.496 -0.369 4.690 1.00 0.00 H new ATOM 0 HA VAL B 616 12.348 0.784 2.925 1.00 0.00 H new ATOM 0 HB VAL B 616 10.265 1.788 2.978 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.130 2.615 4.997 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.450 0.866 5.073 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.470 1.998 5.992 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.610 4.104 3.779 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.033 3.561 4.699 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.036 3.474 2.921 1.00 0.00 H new ATOM 1025 N GLU B 617 14.262 1.612 4.205 1.00 0.00 N ATOM 1026 CA GLU B 617 15.464 2.043 4.894 1.00 0.00 C ATOM 1027 C GLU B 617 15.647 3.551 4.823 1.00 0.00 C ATOM 1028 O GLU B 617 16.362 4.134 5.637 1.00 0.00 O ATOM 1029 CB GLU B 617 16.661 1.357 4.267 1.00 0.00 C ATOM 1030 CG GLU B 617 16.616 -0.148 4.398 1.00 0.00 C ATOM 1031 CD GLU B 617 17.201 -0.634 5.707 1.00 0.00 C ATOM 1032 OE1 GLU B 617 16.483 -0.615 6.728 1.00 0.00 O1- ATOM 1033 OE2 GLU B 617 18.390 -1.023 5.720 1.00 0.00 O ATOM 0 H GLU B 617 14.386 1.488 3.200 1.00 0.00 H new ATOM 0 HA GLU B 617 15.372 1.771 5.946 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.713 1.623 3.211 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.572 1.730 4.735 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.583 -0.486 4.318 1.00 0.00 H new ATOM 0 HG3 GLU B 617 17.163 -0.598 3.570 1.00 0.00 H new ATOM 1040 N ARG B 618 15.014 4.183 3.846 1.00 0.00 N ATOM 1041 CA ARG B 618 15.191 5.612 3.642 1.00 0.00 C ATOM 1042 C ARG B 618 14.075 6.163 2.767 1.00 0.00 C ATOM 1043 O ARG B 618 13.540 5.456 1.914 1.00 0.00 O ATOM 1044 CB ARG B 618 16.556 5.876 2.995 1.00 0.00 C ATOM 1045 CG ARG B 618 16.914 7.349 2.864 1.00 0.00 C ATOM 1046 CD ARG B 618 18.287 7.534 2.234 1.00 0.00 C ATOM 1047 NE ARG B 618 19.349 6.902 3.019 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.544 6.565 2.527 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.843 6.825 1.260 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.449 5.987 3.312 1.00 0.00 N ATOM 0 H ARG B 618 14.378 3.733 3.187 1.00 0.00 H new ATOM 0 HA ARG B 618 15.152 6.117 4.607 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.326 5.378 3.584 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.569 5.422 2.004 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.163 7.855 2.257 1.00 0.00 H new ATOM 0 HG3 ARG B 618 16.898 7.818 3.848 1.00 0.00 H new ATOM 0 HD2 ARG B 618 18.282 7.113 1.228 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.497 8.599 2.133 1.00 0.00 H new ATOM 0 HE ARG B 618 19.165 6.707 4.003 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.159 7.284 0.658 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.757 6.566 0.888 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.231 5.801 4.291 1.00 0.00 H new ATOM 0 HH22 ARG B 618 22.361 5.730 2.935 1.00 0.00 H new ATOM 1064 N ILE B 619 13.717 7.415 2.994 1.00 0.00 N ATOM 1065 CA ILE B 619 12.683 8.073 2.215 1.00 0.00 C ATOM 1066 C ILE B 619 13.184 9.416 1.706 1.00 0.00 C ATOM 1067 O ILE B 619 13.616 10.267 2.487 1.00 0.00 O ATOM 1068 CB ILE B 619 11.397 8.263 3.047 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.752 6.905 3.308 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.417 9.193 2.340 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.609 6.958 4.292 1.00 0.00 C ATOM 0 H ILE B 619 14.132 8.001 3.719 1.00 0.00 H new ATOM 0 HA ILE B 619 12.444 7.437 1.363 1.00 0.00 H new ATOM 0 HB ILE B 619 11.663 8.724 3.998 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.389 6.497 2.364 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.511 6.218 3.682 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.521 9.308 2.949 1.00 0.00 H new ATOM 0 HG22 ILE B 619 10.883 10.167 2.192 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.146 8.769 1.373 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.199 5.957 4.428 1.00 0.00 H new ATOM 0 HD12 ILE B 619 9.970 7.336 5.249 1.00 0.00 H new ATOM 0 HD13 ILE B 619 8.831 7.619 3.911 1.00 0.00 H new ATOM 1083 N GLU B 620 13.145 9.595 0.395 1.00 0.00 N ATOM 1084 CA GLU B 620 13.646 10.814 -0.218 1.00 0.00 C ATOM 1085 C GLU B 620 12.556 11.493 -1.032 1.00 0.00 C ATOM 1086 O GLU B 620 11.805 10.832 -1.745 1.00 0.00 O ATOM 1087 CB GLU B 620 14.830 10.506 -1.134 1.00 0.00 C ATOM 1088 CG GLU B 620 15.865 9.585 -0.518 1.00 0.00 C ATOM 1089 CD GLU B 620 17.105 9.459 -1.375 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.950 10.381 -1.340 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 17.244 8.446 -2.092 1.00 0.00 O ATOM 0 H GLU B 620 12.772 8.912 -0.264 1.00 0.00 H new ATOM 0 HA GLU B 620 13.968 11.480 0.582 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.457 10.053 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.313 11.442 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.143 9.962 0.466 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.427 8.598 -0.369 1.00 0.00 H new ATOM 1098 N ASP B 621 12.468 12.805 -0.925 1.00 0.00 N ATOM 1099 CA ASP B 621 11.539 13.570 -1.744 1.00 0.00 C ATOM 1100 C ASP B 621 12.205 13.929 -3.064 1.00 0.00 C ATOM 1101 O ASP B 621 13.409 14.176 -3.113 1.00 0.00 O ATOM 1102 CB ASP B 621 11.073 14.833 -1.016 1.00 0.00 C ATOM 1103 CG ASP B 621 12.217 15.752 -0.651 1.00 0.00 C ATOM 1104 OD1 ASP B 621 12.572 16.627 -1.466 1.00 0.00 O ATOM 1105 OD2 ASP B 621 12.764 15.607 0.462 1.00 0.00 O1- ATOM 0 H ASP B 621 13.026 13.365 -0.281 1.00 0.00 H new ATOM 0 HA ASP B 621 10.658 12.958 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.367 15.372 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP B 621 10.538 14.549 -0.110 1.00 0.00 H new ATOM 1110 N SER B 622 11.425 13.946 -4.133 1.00 0.00 N ATOM 1111 CA SER B 622 11.972 14.135 -5.471 1.00 0.00 C ATOM 1112 C SER B 622 11.871 15.596 -5.922 1.00 0.00 C ATOM 1113 O SER B 622 12.158 15.916 -7.078 1.00 0.00 O ATOM 1114 CB SER B 622 11.229 13.225 -6.456 1.00 0.00 C ATOM 1115 OG SER B 622 11.862 13.203 -7.725 1.00 0.00 O ATOM 0 H SER B 622 10.412 13.832 -4.103 1.00 0.00 H new ATOM 0 HA SER B 622 13.030 13.872 -5.449 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.183 12.213 -6.054 1.00 0.00 H new ATOM 0 HB3 SER B 622 10.201 13.570 -6.567 1.00 0.00 H new ATOM 0 HG SER B 622 12.179 14.103 -7.948 1.00 0.00 H new ATOM 1121 N HIS B 623 11.457 16.474 -5.006 1.00 0.00 N ATOM 1122 CA HIS B 623 11.237 17.895 -5.316 1.00 0.00 C ATOM 1123 C HIS B 623 10.223 18.051 -6.444 1.00 0.00 C ATOM 1124 O HIS B 623 10.206 19.051 -7.159 1.00 0.00 O ATOM 1125 CB HIS B 623 12.548 18.602 -5.678 1.00 0.00 C ATOM 1126 CG HIS B 623 13.470 18.798 -4.514 1.00 0.00 C ATOM 1127 ND1 HIS B 623 14.770 18.345 -4.498 1.00 0.00 N ATOM 1128 CD2 HIS B 623 13.276 19.417 -3.325 1.00 0.00 C ATOM 1129 CE1 HIS B 623 15.335 18.673 -3.351 1.00 0.00 C ATOM 1130 NE2 HIS B 623 14.450 19.324 -2.621 1.00 0.00 N ATOM 0 H HIS B 623 11.265 16.227 -4.035 1.00 0.00 H new ATOM 0 HA HIS B 623 10.838 18.367 -4.418 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.063 18.022 -6.444 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.317 19.574 -6.115 1.00 0.00 H new ATOM 0 HD2 HIS B 623 12.366 19.895 -2.993 1.00 0.00 H new ATOM 0 HE1 HIS B 623 16.350 18.447 -3.060 1.00 0.00 H new ATOM 0 HE2 HIS B 623 14.612 19.697 -1.686 1.00 0.00 H new ATOM 1139 N SER B 624 9.385 17.043 -6.586 1.00 0.00 N ATOM 1140 CA SER B 624 8.317 17.042 -7.565 1.00 0.00 C ATOM 1141 C SER B 624 6.995 16.967 -6.819 1.00 0.00 C ATOM 1142 O SER B 624 6.944 16.401 -5.725 1.00 0.00 O ATOM 1143 CB SER B 624 8.484 15.849 -8.508 1.00 0.00 C ATOM 1144 OG SER B 624 9.767 15.858 -9.112 1.00 0.00 O ATOM 0 H SER B 624 9.427 16.195 -6.020 1.00 0.00 H new ATOM 0 HA SER B 624 8.343 17.950 -8.168 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.345 14.920 -7.955 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.714 15.879 -9.279 1.00 0.00 H new ATOM 0 HG SER B 624 10.453 15.733 -8.424 1.00 0.00 H new ATOM 1150 N PRO B 625 5.928 17.561 -7.379 1.00 0.00 N ATOM 1151 CA PRO B 625 4.626 17.645 -6.716 1.00 0.00 C ATOM 1152 C PRO B 625 4.170 16.329 -6.119 1.00 0.00 C ATOM 1153 O PRO B 625 3.778 15.400 -6.830 1.00 0.00 O ATOM 1154 CB PRO B 625 3.682 18.062 -7.835 1.00 0.00 C ATOM 1155 CG PRO B 625 4.534 18.790 -8.818 1.00 0.00 C ATOM 1156 CD PRO B 625 5.925 18.223 -8.693 1.00 0.00 C ATOM 0 HA PRO B 625 4.659 18.336 -5.874 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.207 17.194 -8.293 1.00 0.00 H new ATOM 0 HB3 PRO B 625 2.883 18.701 -7.458 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.153 18.660 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.533 19.860 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.141 17.517 -9.495 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.681 19.007 -8.746 1.00 0.00 H new ATOM 1164 N GLY B 626 4.203 16.294 -4.798 1.00 0.00 N ATOM 1165 CA GLY B 626 3.781 15.136 -4.048 1.00 0.00 C ATOM 1166 C GLY B 626 4.540 13.873 -4.404 1.00 0.00 C ATOM 1167 O GLY B 626 3.972 12.796 -4.357 1.00 0.00 O ATOM 0 H GLY B 626 4.524 17.071 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY B 626 3.906 15.337 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY B 626 2.717 14.971 -4.218 1.00 0.00 H new ATOM 1171 N VAL B 627 5.815 13.990 -4.759 1.00 0.00 N ATOM 1172 CA VAL B 627 6.593 12.815 -5.151 1.00 0.00 C ATOM 1173 C VAL B 627 7.692 12.498 -4.150 1.00 0.00 C ATOM 1174 O VAL B 627 8.457 13.376 -3.747 1.00 0.00 O ATOM 1175 CB VAL B 627 7.232 12.987 -6.543 1.00 0.00 C ATOM 1176 CG1 VAL B 627 7.937 11.709 -6.981 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.180 13.387 -7.552 1.00 0.00 C ATOM 0 H VAL B 627 6.328 14.871 -4.784 1.00 0.00 H new ATOM 0 HA VAL B 627 5.884 11.988 -5.178 1.00 0.00 H new ATOM 0 HB VAL B 627 7.980 13.778 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.379 11.857 -7.966 1.00 0.00 H new ATOM 0 HG12 VAL B 627 8.721 11.462 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.216 10.893 -7.026 1.00 0.00 H new ATOM 0 HG21 VAL B 627 6.642 13.506 -8.532 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.413 12.614 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL B 627 5.725 14.330 -7.249 1.00 0.00 H new ATOM 1187 N ALA B 628 7.763 11.237 -3.757 1.00 0.00 N ATOM 1188 CA ALA B 628 8.815 10.761 -2.879 1.00 0.00 C ATOM 1189 C ALA B 628 9.177 9.327 -3.225 1.00 0.00 C ATOM 1190 O ALA B 628 8.306 8.505 -3.515 1.00 0.00 O ATOM 1191 CB ALA B 628 8.392 10.867 -1.421 1.00 0.00 C ATOM 0 H ALA B 628 7.095 10.518 -4.037 1.00 0.00 H new ATOM 0 HA ALA B 628 9.694 11.389 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.197 10.504 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.177 11.908 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.499 10.265 -1.257 1.00 0.00 H new ATOM 1197 N VAL B 629 10.462 9.038 -3.214 1.00 0.00 N ATOM 1198 CA VAL B 629 10.942 7.697 -3.484 1.00 0.00 C ATOM 1199 C VAL B 629 11.255 6.975 -2.188 1.00 0.00 C ATOM 1200 O VAL B 629 12.029 7.456 -1.352 1.00 0.00 O ATOM 1201 CB VAL B 629 12.172 7.694 -4.419 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.044 8.899 -4.144 1.00 0.00 C ATOM 1203 CG2 VAL B 629 12.978 6.405 -4.280 1.00 0.00 C ATOM 0 H VAL B 629 11.197 9.718 -3.020 1.00 0.00 H new ATOM 0 HA VAL B 629 10.144 7.166 -4.002 1.00 0.00 H new ATOM 0 HB VAL B 629 11.811 7.748 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL B 629 13.907 8.883 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.470 9.810 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.384 8.873 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL B 629 13.835 6.438 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.326 6.303 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.348 5.553 -4.536 1.00 0.00 H new ATOM 1213 N ILE B 630 10.618 5.836 -2.017 1.00 0.00 N ATOM 1214 CA ILE B 630 10.816 5.023 -0.845 1.00 0.00 C ATOM 1215 C ILE B 630 11.899 3.984 -1.124 1.00 0.00 C ATOM 1216 O ILE B 630 11.741 3.133 -2.002 1.00 0.00 O ATOM 1217 CB ILE B 630 9.512 4.313 -0.435 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.317 5.265 -0.527 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.637 3.769 0.973 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.403 6.446 0.411 1.00 0.00 C ATOM 0 H ILE B 630 9.951 5.452 -2.687 1.00 0.00 H new ATOM 0 HA ILE B 630 11.124 5.671 -0.025 1.00 0.00 H new ATOM 0 HB ILE B 630 9.342 3.486 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.234 5.631 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.404 4.709 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.710 3.269 1.253 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.461 3.057 1.016 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.830 4.589 1.664 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.521 7.074 0.287 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.454 6.090 1.440 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.297 7.027 0.183 1.00 0.00 H new ATOM 1232 N GLN B 631 13.004 4.077 -0.404 1.00 0.00 N ATOM 1233 CA GLN B 631 14.110 3.147 -0.574 1.00 0.00 C ATOM 1234 C GLN B 631 13.930 1.957 0.357 1.00 0.00 C ATOM 1235 O GLN B 631 13.913 2.115 1.576 1.00 0.00 O ATOM 1236 CB GLN B 631 15.443 3.842 -0.295 1.00 0.00 C ATOM 1237 CG GLN B 631 16.656 2.953 -0.523 1.00 0.00 C ATOM 1238 CD GLN B 631 17.957 3.640 -0.164 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.571 4.307 -0.996 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.390 3.478 1.076 1.00 0.00 N ATOM 0 H GLN B 631 13.160 4.791 0.308 1.00 0.00 H new ATOM 0 HA GLN B 631 14.117 2.794 -1.605 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.524 4.722 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.450 4.194 0.737 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.553 2.045 0.071 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.687 2.648 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN B 631 17.851 2.917 1.735 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.263 3.914 1.372 1.00 0.00 H new ATOM 1249 N PHE B 632 13.798 0.775 -0.224 1.00 0.00 N ATOM 1250 CA PHE B 632 13.516 -0.435 0.538 1.00 0.00 C ATOM 1251 C PHE B 632 14.710 -1.371 0.597 1.00 0.00 C ATOM 1252 O PHE B 632 15.595 -1.332 -0.256 1.00 0.00 O ATOM 1253 CB PHE B 632 12.348 -1.199 -0.084 1.00 0.00 C ATOM 1254 CG PHE B 632 11.024 -0.509 0.025 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.246 -0.664 1.157 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.547 0.274 -1.012 1.00 0.00 C ATOM 1257 CE1 PHE B 632 9.018 -0.048 1.255 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.318 0.894 -0.919 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.550 0.731 0.217 1.00 0.00 C ATOM 0 H PHE B 632 13.882 0.626 -1.229 1.00 0.00 H new ATOM 0 HA PHE B 632 13.271 -0.110 1.549 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.566 -1.375 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE B 632 12.274 -2.176 0.394 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.605 -1.274 1.973 1.00 0.00 H new ATOM 0 HD2 PHE B 632 11.143 0.401 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.421 -0.175 2.146 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.957 1.505 -1.733 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.586 1.212 0.293 1.00 0.00 H new ATOM 1269 N ALA B 633 14.710 -2.199 1.626 1.00 0.00 N ATOM 1270 CA ALA B 633 15.610 -3.327 1.732 1.00 0.00 C ATOM 1271 C ALA B 633 14.784 -4.605 1.731 1.00 0.00 C ATOM 1272 O ALA B 633 14.200 -4.986 2.747 1.00 0.00 O ATOM 1273 CB ALA B 633 16.442 -3.226 2.996 1.00 0.00 C ATOM 0 H ALA B 633 14.076 -2.104 2.420 1.00 0.00 H new ATOM 0 HA ALA B 633 16.297 -3.334 0.886 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.113 -4.083 3.059 1.00 0.00 H new ATOM 0 HB2 ALA B 633 17.028 -2.307 2.974 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.784 -3.216 3.865 1.00 0.00 H new ATOM 1279 N VAL B 634 14.705 -5.238 0.578 1.00 0.00 N ATOM 1280 CA VAL B 634 13.858 -6.405 0.398 1.00 0.00 C ATOM 1281 C VAL B 634 14.578 -7.678 0.821 1.00 0.00 C ATOM 1282 O VAL B 634 15.762 -7.857 0.526 1.00 0.00 O ATOM 1283 CB VAL B 634 13.423 -6.540 -1.070 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.448 -7.695 -1.244 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.820 -5.236 -1.574 1.00 0.00 C ATOM 0 H VAL B 634 15.222 -4.962 -0.257 1.00 0.00 H new ATOM 0 HA VAL B 634 12.979 -6.267 1.028 1.00 0.00 H new ATOM 0 HB VAL B 634 14.308 -6.757 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.155 -7.769 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL B 634 12.926 -8.624 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.563 -7.520 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.519 -5.353 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.949 -4.981 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.560 -4.439 -1.498 1.00 0.00 H new ATOM 1295 N GLY B 635 13.861 -8.553 1.513 1.00 0.00 N ATOM 1296 CA GLY B 635 14.412 -9.835 1.895 1.00 0.00 C ATOM 1297 C GLY B 635 15.386 -9.741 3.050 1.00 0.00 C ATOM 1298 O GLY B 635 15.526 -8.689 3.678 1.00 0.00 O ATOM 0 H GLY B 635 12.901 -8.395 1.818 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.598 -10.507 2.167 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.917 -10.277 1.036 1.00 0.00 H new ATOM 1302 N GLU B 636 16.073 -10.841 3.317 1.00 0.00 N ATOM 1303 CA GLU B 636 16.986 -10.926 4.442 1.00 0.00 C ATOM 1304 C GLU B 636 18.376 -10.420 4.068 1.00 0.00 C ATOM 1305 O GLU B 636 19.221 -10.210 4.937 1.00 0.00 O ATOM 1306 CB GLU B 636 17.060 -12.366 4.937 1.00 0.00 C ATOM 1307 CG GLU B 636 15.710 -12.927 5.364 1.00 0.00 C ATOM 1308 CD GLU B 636 15.810 -14.323 5.943 1.00 0.00 C ATOM 1309 OE1 GLU B 636 15.810 -15.299 5.162 1.00 0.00 O ATOM 1310 OE2 GLU B 636 15.882 -14.450 7.186 1.00 0.00 O1- ATOM 0 H GLU B 636 16.013 -11.695 2.762 1.00 0.00 H new ATOM 0 HA GLU B 636 16.606 -10.289 5.241 1.00 0.00 H new ATOM 0 HB2 GLU B 636 17.473 -12.993 4.147 1.00 0.00 H new ATOM 0 HB3 GLU B 636 17.750 -12.418 5.779 1.00 0.00 H new ATOM 0 HG2 GLU B 636 15.264 -12.263 6.104 1.00 0.00 H new ATOM 0 HG3 GLU B 636 15.040 -12.942 4.504 1.00 0.00 H new ATOM 1317 N HIS B 637 18.614 -10.221 2.777 1.00 0.00 N ATOM 1318 CA HIS B 637 19.901 -9.705 2.316 1.00 0.00 C ATOM 1319 C HIS B 637 19.850 -8.191 2.173 1.00 0.00 C ATOM 1320 O HIS B 637 20.847 -7.548 1.841 1.00 0.00 O ATOM 1321 CB HIS B 637 20.316 -10.332 0.979 1.00 0.00 C ATOM 1322 CG HIS B 637 20.596 -11.801 1.054 1.00 0.00 C ATOM 1323 ND1 HIS B 637 21.869 -12.325 1.047 1.00 0.00 N ATOM 1324 CD2 HIS B 637 19.757 -12.862 1.125 1.00 0.00 C ATOM 1325 CE1 HIS B 637 21.803 -13.641 1.111 1.00 0.00 C ATOM 1326 NE2 HIS B 637 20.533 -13.991 1.160 1.00 0.00 N ATOM 0 H HIS B 637 17.940 -10.407 2.035 1.00 0.00 H new ATOM 0 HA HIS B 637 20.644 -9.974 3.067 1.00 0.00 H new ATOM 0 HB2 HIS B 637 19.525 -10.160 0.248 1.00 0.00 H new ATOM 0 HB3 HIS B 637 21.206 -9.822 0.611 1.00 0.00 H new ATOM 0 HD2 HIS B 637 18.678 -12.825 1.149 1.00 0.00 H new ATOM 0 HE1 HIS B 637 22.646 -14.316 1.121 1.00 0.00 H new ATOM 0 HE2 HIS B 637 20.184 -14.948 1.215 1.00 0.00 H new ATOM 1335 N ARG B 638 18.664 -7.641 2.437 1.00 0.00 N ATOM 1336 CA ARG B 638 18.410 -6.207 2.337 1.00 0.00 C ATOM 1337 C ARG B 638 18.689 -5.693 0.928 1.00 0.00 C ATOM 1338 O ARG B 638 19.465 -4.756 0.739 1.00 0.00 O ATOM 1339 CB ARG B 638 19.234 -5.416 3.364 1.00 0.00 C ATOM 1340 CG ARG B 638 18.871 -5.717 4.810 1.00 0.00 C ATOM 1341 CD ARG B 638 19.471 -4.690 5.761 1.00 0.00 C ATOM 1342 NE ARG B 638 19.226 -5.031 7.163 1.00 0.00 N ATOM 1343 CZ ARG B 638 18.739 -4.185 8.075 1.00 0.00 C ATOM 1344 NH1 ARG B 638 18.415 -2.939 7.742 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 18.574 -4.593 9.327 1.00 0.00 N ATOM 0 H ARG B 638 17.850 -8.182 2.728 1.00 0.00 H new ATOM 0 HA ARG B 638 17.354 -6.053 2.557 1.00 0.00 H new ATOM 0 HB2 ARG B 638 20.291 -5.634 3.212 1.00 0.00 H new ATOM 0 HB3 ARG B 638 19.099 -4.350 3.180 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.787 -5.726 4.920 1.00 0.00 H new ATOM 0 HG3 ARG B 638 19.227 -6.712 5.076 1.00 0.00 H new ATOM 0 HD2 ARG B 638 20.545 -4.619 5.588 1.00 0.00 H new ATOM 0 HD3 ARG B 638 19.048 -3.708 5.548 1.00 0.00 H new ATOM 0 HE ARG B 638 19.442 -5.981 7.465 1.00 0.00 H new ATOM 0 HH11 ARG B 638 18.537 -2.620 6.781 1.00 0.00 H new ATOM 0 HH12 ARG B 638 18.044 -2.303 8.448 1.00 0.00 H new ATOM 0 HH21 ARG B 638 18.819 -5.548 9.589 1.00 0.00 H new ATOM 0 HH22 ARG B 638 18.203 -3.952 10.028 1.00 0.00 H new ATOM 1359 N ALA B 639 18.049 -6.311 -0.058 1.00 0.00 N ATOM 1360 CA ALA B 639 18.183 -5.879 -1.442 1.00 0.00 C ATOM 1361 C ALA B 639 17.540 -4.512 -1.619 1.00 0.00 C ATOM 1362 O ALA B 639 16.337 -4.348 -1.410 1.00 0.00 O ATOM 1363 CB ALA B 639 17.557 -6.891 -2.385 1.00 0.00 C ATOM 0 H ALA B 639 17.433 -7.112 0.076 1.00 0.00 H new ATOM 0 HA ALA B 639 19.243 -5.805 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA B 639 17.669 -6.548 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.054 -7.854 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.498 -6.999 -2.152 1.00 0.00 H new ATOM 1369 N GLN B 640 18.346 -3.540 -2.002 1.00 0.00 N ATOM 1370 CA GLN B 640 17.910 -2.152 -2.018 1.00 0.00 C ATOM 1371 C GLN B 640 17.135 -1.809 -3.282 1.00 0.00 C ATOM 1372 O GLN B 640 17.529 -2.167 -4.394 1.00 0.00 O ATOM 1373 CB GLN B 640 19.106 -1.221 -1.846 1.00 0.00 C ATOM 1374 CG GLN B 640 19.783 -1.380 -0.497 1.00 0.00 C ATOM 1375 CD GLN B 640 20.939 -0.427 -0.297 1.00 0.00 C ATOM 1376 OE1 GLN B 640 22.079 -0.731 -0.653 1.00 0.00 O ATOM 1377 NE2 GLN B 640 20.660 0.721 0.293 1.00 0.00 N ATOM 0 H GLN B 640 19.309 -3.684 -2.307 1.00 0.00 H new ATOM 0 HA GLN B 640 17.228 -2.012 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.830 -1.417 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.777 -0.188 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN B 640 19.048 -1.221 0.292 1.00 0.00 H new ATOM 0 HG3 GLN B 640 20.143 -2.404 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN B 640 19.702 0.932 0.571 1.00 0.00 H new ATOM 0 HE22 GLN B 640 21.403 1.397 0.470 1.00 0.00 H new ATOM 1386 N VAL B 641 16.022 -1.120 -3.082 1.00 0.00 N ATOM 1387 CA VAL B 641 15.137 -0.704 -4.166 1.00 0.00 C ATOM 1388 C VAL B 641 14.736 0.749 -3.964 1.00 0.00 C ATOM 1389 O VAL B 641 14.536 1.181 -2.835 1.00 0.00 O ATOM 1390 CB VAL B 641 13.859 -1.579 -4.217 1.00 0.00 C ATOM 1391 CG1 VAL B 641 12.940 -1.148 -5.351 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.216 -3.048 -4.356 1.00 0.00 C ATOM 0 H VAL B 641 15.703 -0.830 -2.158 1.00 0.00 H new ATOM 0 HA VAL B 641 15.675 -0.822 -5.106 1.00 0.00 H new ATOM 0 HB VAL B 641 13.326 -1.439 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.052 -1.781 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.644 -0.109 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.465 -1.245 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.303 -3.643 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL B 641 14.782 -3.200 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL B 641 14.820 -3.358 -3.503 1.00 0.00 H new ATOM 1402 N SER B 642 14.631 1.502 -5.046 1.00 0.00 N ATOM 1403 CA SER B 642 14.221 2.892 -4.959 1.00 0.00 C ATOM 1404 C SER B 642 13.066 3.165 -5.918 1.00 0.00 C ATOM 1405 O SER B 642 13.261 3.260 -7.131 1.00 0.00 O ATOM 1406 CB SER B 642 15.404 3.806 -5.266 1.00 0.00 C ATOM 1407 OG SER B 642 16.481 3.560 -4.376 1.00 0.00 O ATOM 0 H SER B 642 14.824 1.175 -5.993 1.00 0.00 H new ATOM 0 HA SER B 642 13.878 3.097 -3.945 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.733 3.648 -6.293 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.093 4.848 -5.187 1.00 0.00 H new ATOM 0 HG SER B 642 17.228 4.156 -4.593 1.00 0.00 H new ATOM 1413 N VAL B 643 11.865 3.282 -5.372 1.00 0.00 N ATOM 1414 CA VAL B 643 10.681 3.491 -6.179 1.00 0.00 C ATOM 1415 C VAL B 643 10.070 4.869 -5.907 1.00 0.00 C ATOM 1416 O VAL B 643 9.742 5.209 -4.769 1.00 0.00 O ATOM 1417 CB VAL B 643 9.651 2.365 -5.922 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.426 2.154 -4.431 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.341 2.661 -6.619 1.00 0.00 C ATOM 0 H VAL B 643 11.688 3.235 -4.369 1.00 0.00 H new ATOM 0 HA VAL B 643 10.969 3.459 -7.230 1.00 0.00 H new ATOM 0 HB VAL B 643 10.060 1.443 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL B 643 8.698 1.357 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.368 1.878 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.051 3.076 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL B 643 7.634 1.855 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL B 643 7.934 3.600 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL B 643 8.510 2.742 -7.693 1.00 0.00 H new ATOM 1429 N GLU B 644 9.939 5.659 -6.966 1.00 0.00 N ATOM 1430 CA GLU B 644 9.420 7.020 -6.873 1.00 0.00 C ATOM 1431 C GLU B 644 7.905 7.024 -7.056 1.00 0.00 C ATOM 1432 O GLU B 644 7.407 6.767 -8.152 1.00 0.00 O ATOM 1433 CB GLU B 644 10.065 7.893 -7.952 1.00 0.00 C ATOM 1434 CG GLU B 644 11.582 7.932 -7.879 1.00 0.00 C ATOM 1435 CD GLU B 644 12.213 8.344 -9.188 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.103 7.574 -10.165 1.00 0.00 O ATOM 1437 OE2 GLU B 644 12.831 9.426 -9.248 1.00 0.00 O1- ATOM 0 H GLU B 644 10.189 5.375 -7.913 1.00 0.00 H new ATOM 0 HA GLU B 644 9.659 7.419 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU B 644 9.767 7.523 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.679 8.909 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.887 8.628 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU B 644 11.954 6.948 -7.593 1.00 0.00 H new ATOM 1444 N VAL B 645 7.175 7.308 -5.990 1.00 0.00 N ATOM 1445 CA VAL B 645 5.718 7.345 -6.049 1.00 0.00 C ATOM 1446 C VAL B 645 5.196 8.665 -5.505 1.00 0.00 C ATOM 1447 O VAL B 645 5.948 9.436 -4.907 1.00 0.00 O ATOM 1448 CB VAL B 645 5.082 6.188 -5.249 1.00 0.00 C ATOM 1449 CG1 VAL B 645 5.394 4.850 -5.896 1.00 0.00 C ATOM 1450 CG2 VAL B 645 5.558 6.206 -3.802 1.00 0.00 C ATOM 0 H VAL B 645 7.565 7.517 -5.071 1.00 0.00 H new ATOM 0 HA VAL B 645 5.439 7.238 -7.097 1.00 0.00 H new ATOM 0 HB VAL B 645 4.001 6.327 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL B 645 4.936 4.049 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL B 645 4.997 4.835 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL B 645 6.474 4.704 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.097 5.382 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL B 645 6.642 6.098 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL B 645 5.276 7.151 -3.338 1.00 0.00 H new ATOM 1460 N LEU B 646 3.917 8.937 -5.725 1.00 0.00 N ATOM 1461 CA LEU B 646 3.302 10.099 -5.113 1.00 0.00 C ATOM 1462 C LEU B 646 3.052 9.816 -3.636 1.00 0.00 C ATOM 1463 O LEU B 646 2.702 8.697 -3.258 1.00 0.00 O ATOM 1464 CB LEU B 646 1.982 10.488 -5.783 1.00 0.00 C ATOM 1465 CG LEU B 646 2.084 10.997 -7.221 1.00 0.00 C ATOM 1466 CD1 LEU B 646 0.910 11.907 -7.547 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.388 11.728 -7.446 1.00 0.00 C ATOM 0 H LEU B 646 3.297 8.378 -6.312 1.00 0.00 H new ATOM 0 HA LEU B 646 3.990 10.936 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.322 9.620 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.504 11.259 -5.179 1.00 0.00 H new ATOM 0 HG LEU B 646 2.057 10.134 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU B 646 0.998 12.261 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU B 646 -0.022 11.354 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU B 646 0.911 12.760 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU B 646 3.435 12.080 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.449 12.580 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.222 11.052 -7.255 1.00 0.00 H new ATOM 1479 N VAL B 647 3.221 10.837 -2.813 1.00 0.00 N ATOM 1480 CA VAL B 647 3.089 10.704 -1.368 1.00 0.00 C ATOM 1481 C VAL B 647 1.643 10.439 -0.960 1.00 0.00 C ATOM 1482 O VAL B 647 1.362 10.105 0.188 1.00 0.00 O ATOM 1483 CB VAL B 647 3.597 11.966 -0.638 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.047 12.242 -0.993 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.723 13.172 -0.952 1.00 0.00 C ATOM 0 H VAL B 647 3.453 11.780 -3.124 1.00 0.00 H new ATOM 0 HA VAL B 647 3.702 9.851 -1.076 1.00 0.00 H new ATOM 0 HB VAL B 647 3.536 11.782 0.435 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.386 13.135 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.662 11.392 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.135 12.397 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.105 14.046 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.737 13.362 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.700 12.973 -0.632 1.00 0.00 H new ATOM 1495 N GLU B 648 0.732 10.590 -1.912 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.683 10.360 -1.664 1.00 0.00 C ATOM 1497 C GLU B 648 -1.017 8.878 -1.776 1.00 0.00 C ATOM 1498 O GLU B 648 -2.123 8.456 -1.441 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.528 11.159 -2.657 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.271 10.793 -4.111 1.00 0.00 C ATOM 1501 CD GLU B 648 -2.212 11.495 -5.067 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -2.251 12.740 -5.056 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.909 10.801 -5.838 1.00 0.00 O1- ATOM 0 H GLU B 648 0.950 10.872 -2.868 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.911 10.691 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.583 11.001 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.328 12.222 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.243 11.047 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -1.374 9.715 -4.233 1.00 0.00 H new ATOM 1510 N TYR B 649 -0.054 8.095 -2.246 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.256 6.673 -2.441 1.00 0.00 C ATOM 1512 C TYR B 649 -0.215 5.919 -1.122 1.00 0.00 C ATOM 1513 O TYR B 649 0.759 6.014 -0.367 1.00 0.00 O ATOM 1514 CB TYR B 649 0.792 6.115 -3.402 1.00 0.00 C ATOM 1515 CG TYR B 649 0.369 6.194 -4.849 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.137 7.419 -5.456 1.00 0.00 C ATOM 1517 CD2 TYR B 649 0.184 5.042 -5.603 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -0.262 7.498 -6.774 1.00 0.00 C ATOM 1519 CE2 TYR B 649 -0.217 5.112 -6.921 1.00 0.00 C ATOM 1520 CZ TYR B 649 -0.438 6.343 -7.502 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.839 6.419 -8.815 1.00 0.00 O ATOM 0 H TYR B 649 0.877 8.427 -2.499 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.246 6.534 -2.875 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.725 6.664 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR B 649 0.995 5.075 -3.145 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.271 8.327 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR B 649 0.357 4.077 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -0.435 8.461 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR B 649 -0.357 4.208 -7.495 1.00 0.00 H new ATOM 0 HH TYR B 649 -0.916 5.515 -9.187 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.293 5.185 -0.817 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.356 4.324 0.358 1.00 0.00 C ATOM 1533 C PRO B 650 -0.395 3.149 0.246 1.00 0.00 C ATOM 1534 O PRO B 650 -0.180 2.614 -0.839 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.805 3.824 0.378 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.547 4.712 -0.559 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.546 5.144 -1.585 1.00 0.00 C ATOM 0 HA PRO B 650 -1.072 4.856 1.266 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.865 2.783 0.062 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.224 3.876 1.383 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.380 4.183 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -3.967 5.571 -0.035 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.489 4.441 -2.416 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.794 6.118 -2.008 1.00 0.00 H new ATOM 1545 N PHE B 651 0.178 2.756 1.369 1.00 0.00 N ATOM 1546 CA PHE B 651 1.112 1.645 1.416 1.00 0.00 C ATOM 1547 C PHE B 651 0.724 0.678 2.521 1.00 0.00 C ATOM 1548 O PHE B 651 0.727 1.030 3.704 1.00 0.00 O ATOM 1549 CB PHE B 651 2.543 2.144 1.637 1.00 0.00 C ATOM 1550 CG PHE B 651 3.292 2.433 0.365 1.00 0.00 C ATOM 1551 CD1 PHE B 651 2.974 3.534 -0.413 1.00 0.00 C ATOM 1552 CD2 PHE B 651 4.313 1.595 -0.055 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.660 3.796 -1.583 1.00 0.00 C ATOM 1554 CE2 PHE B 651 5.003 1.851 -1.224 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.677 2.953 -1.989 1.00 0.00 C ATOM 0 H PHE B 651 0.010 3.197 2.273 1.00 0.00 H new ATOM 0 HA PHE B 651 1.071 1.127 0.458 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.512 3.050 2.242 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.093 1.397 2.209 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.180 4.196 -0.101 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.572 0.731 0.539 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.402 4.658 -2.180 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.797 1.190 -1.539 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.216 3.156 -2.903 1.00 0.00 H new ATOM 1565 N PHE B 652 0.366 -0.532 2.133 1.00 0.00 N ATOM 1566 CA PHE B 652 0.031 -1.555 3.100 1.00 0.00 C ATOM 1567 C PHE B 652 1.299 -2.074 3.749 1.00 0.00 C ATOM 1568 O PHE B 652 2.167 -2.627 3.078 1.00 0.00 O ATOM 1569 CB PHE B 652 -0.735 -2.700 2.441 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.046 -2.973 3.109 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.088 -3.614 4.333 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.234 -2.578 2.519 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.292 -3.854 4.959 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.443 -2.818 3.141 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.471 -3.457 4.363 1.00 0.00 C ATOM 0 H PHE B 652 0.301 -0.827 1.159 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.612 -1.117 3.863 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -0.909 -2.460 1.392 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.124 -3.602 2.465 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.168 -3.930 4.803 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.215 -2.077 1.562 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.313 -4.353 5.917 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.364 -2.506 2.672 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.415 -3.646 4.853 1.00 0.00 H new ATOM 1585 N VAL B 653 1.419 -1.872 5.046 1.00 0.00 N ATOM 1586 CA VAL B 653 2.620 -2.251 5.757 1.00 0.00 C ATOM 1587 C VAL B 653 2.347 -3.503 6.593 1.00 0.00 C ATOM 1588 O VAL B 653 1.534 -3.461 7.509 1.00 0.00 O ATOM 1589 CB VAL B 653 3.113 -1.097 6.656 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.575 -1.256 6.976 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.892 0.249 5.997 1.00 0.00 C ATOM 0 H VAL B 653 0.697 -1.447 5.628 1.00 0.00 H new ATOM 0 HA VAL B 653 3.404 -2.469 5.032 1.00 0.00 H new ATOM 0 HB VAL B 653 2.533 -1.137 7.578 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.900 -0.432 7.610 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.733 -2.200 7.498 1.00 0.00 H new ATOM 0 HG13 VAL B 653 5.152 -1.252 6.051 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.250 1.040 6.656 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.439 0.287 5.055 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.828 0.390 5.805 1.00 0.00 H new ATOM 1601 N PHE B 654 3.070 -4.588 6.275 1.00 0.00 N ATOM 1602 CA PHE B 654 2.785 -5.957 6.764 1.00 0.00 C ATOM 1603 C PHE B 654 2.469 -6.018 8.277 1.00 0.00 C ATOM 1604 O PHE B 654 1.356 -5.708 8.694 1.00 0.00 O ATOM 1605 CB PHE B 654 3.975 -6.861 6.386 1.00 0.00 C ATOM 1606 CG PHE B 654 3.753 -8.348 6.542 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.966 -8.987 7.755 1.00 0.00 C ATOM 1608 CD2 PHE B 654 3.356 -9.112 5.455 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.781 -10.351 7.881 1.00 0.00 C ATOM 1610 CE2 PHE B 654 3.174 -10.476 5.577 1.00 0.00 C ATOM 1611 CZ PHE B 654 3.386 -11.095 6.790 1.00 0.00 C ATOM 0 H PHE B 654 3.883 -4.544 5.661 1.00 0.00 H new ATOM 0 HA PHE B 654 1.875 -6.314 6.282 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.243 -6.661 5.349 1.00 0.00 H new ATOM 0 HB3 PHE B 654 4.831 -6.575 6.997 1.00 0.00 H new ATOM 0 HD1 PHE B 654 4.281 -8.411 8.613 1.00 0.00 H new ATOM 0 HD2 PHE B 654 3.187 -8.635 4.501 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.946 -10.833 8.833 1.00 0.00 H new ATOM 0 HE2 PHE B 654 2.865 -11.058 4.721 1.00 0.00 H new ATOM 0 HZ PHE B 654 3.243 -12.161 6.886 1.00 0.00 H new ATOM 1621 N GLY B 655 3.428 -6.404 9.105 1.00 0.00 N ATOM 1622 CA GLY B 655 3.188 -6.448 10.537 1.00 0.00 C ATOM 1623 C GLY B 655 3.360 -5.086 11.169 1.00 0.00 C ATOM 1624 O GLY B 655 3.937 -4.956 12.249 1.00 0.00 O ATOM 0 H GLY B 655 4.364 -6.687 8.816 1.00 0.00 H new ATOM 0 HA2 GLY B 655 2.179 -6.814 10.727 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.876 -7.155 11.001 1.00 0.00 H new ATOM 1628 N GLN B 656 2.863 -4.065 10.484 1.00 0.00 N ATOM 1629 CA GLN B 656 3.062 -2.692 10.901 1.00 0.00 C ATOM 1630 C GLN B 656 1.731 -1.928 10.927 1.00 0.00 C ATOM 1631 O GLN B 656 1.346 -1.402 11.972 1.00 0.00 O ATOM 1632 CB GLN B 656 4.074 -2.001 9.981 1.00 0.00 C ATOM 1633 CG GLN B 656 5.511 -2.506 10.113 1.00 0.00 C ATOM 1634 CD GLN B 656 5.782 -3.835 9.420 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.050 -4.114 8.353 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 6.642 -4.600 9.847 1.00 0.00 N flip ATOM 0 H GLN B 656 2.315 -4.168 9.630 1.00 0.00 H new ATOM 0 HA GLN B 656 3.462 -2.693 11.915 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.752 -2.131 8.948 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.060 -0.931 10.187 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.186 -1.754 9.704 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.751 -2.608 11.171 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.185 -4.347 10.673 1.00 0.00 H new ATOM 0 HE22 GLN B 656 6.814 -5.488 9.376 1.00 0.00 H new ATOM 1645 N GLY B 657 1.019 -1.876 9.798 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.282 -1.219 9.789 1.00 0.00 C ATOM 1647 C GLY B 657 -0.724 -0.733 8.416 1.00 0.00 C ATOM 1648 O GLY B 657 -0.046 -0.959 7.411 1.00 0.00 O ATOM 0 H GLY B 657 1.314 -2.270 8.904 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.030 -1.912 10.175 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.253 -0.369 10.471 1.00 0.00 H new ATOM 1652 N TRP B 658 -1.880 -0.070 8.387 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.442 0.487 7.158 1.00 0.00 C ATOM 1654 C TRP B 658 -1.966 1.935 7.007 1.00 0.00 C ATOM 1655 O TRP B 658 -2.521 2.852 7.616 1.00 0.00 O ATOM 1656 CB TRP B 658 -3.980 0.396 7.215 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.723 0.759 5.954 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.046 1.087 5.890 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.233 0.826 4.599 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.414 1.340 4.598 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.327 1.194 3.788 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -2.993 0.615 3.983 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.219 1.354 2.414 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -2.894 0.775 2.613 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -3.999 1.140 1.847 1.00 0.00 C ATOM 0 H TRP B 658 -2.453 0.096 9.215 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.105 -0.077 6.288 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.251 -0.623 7.489 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.331 1.046 8.017 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.709 1.139 6.741 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.352 1.597 4.289 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.130 0.332 4.567 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.072 1.638 1.815 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -1.943 0.614 2.128 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -3.886 1.256 0.779 1.00 0.00 H new ATOM 1676 N SER B 659 -0.930 2.135 6.204 1.00 0.00 N ATOM 1677 CA SER B 659 -0.229 3.409 6.173 1.00 0.00 C ATOM 1678 C SER B 659 -0.224 4.033 4.779 1.00 0.00 C ATOM 1679 O SER B 659 -0.641 3.416 3.806 1.00 0.00 O ATOM 1680 CB SER B 659 1.206 3.200 6.660 1.00 0.00 C ATOM 1681 OG SER B 659 1.217 2.622 7.955 1.00 0.00 O ATOM 0 H SER B 659 -0.557 1.431 5.566 1.00 0.00 H new ATOM 0 HA SER B 659 -0.756 4.101 6.830 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.741 2.554 5.964 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.732 4.155 6.678 1.00 0.00 H new ATOM 0 HG SER B 659 2.143 2.494 8.248 1.00 0.00 H new ATOM 1687 N SER B 660 0.190 5.290 4.707 1.00 0.00 N ATOM 1688 CA SER B 660 0.443 5.950 3.438 1.00 0.00 C ATOM 1689 C SER B 660 1.649 6.863 3.570 1.00 0.00 C ATOM 1690 O SER B 660 1.953 7.308 4.682 1.00 0.00 O ATOM 1691 CB SER B 660 -0.783 6.738 2.979 1.00 0.00 C ATOM 1692 OG SER B 660 -1.917 5.893 2.888 1.00 0.00 O ATOM 0 H SER B 660 0.359 5.877 5.524 1.00 0.00 H new ATOM 0 HA SER B 660 0.651 5.192 2.683 1.00 0.00 H new ATOM 0 HB2 SER B 660 -0.983 7.549 3.679 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.585 7.195 2.009 1.00 0.00 H new ATOM 0 HG SER B 660 -1.661 4.976 3.119 1.00 0.00 H new ATOM 1698 N CYS B 661 2.350 7.117 2.468 1.00 0.00 N ATOM 1699 CA CYS B 661 3.558 7.941 2.501 1.00 0.00 C ATOM 1700 C CYS B 661 3.286 9.279 3.178 1.00 0.00 C ATOM 1701 O CYS B 661 4.130 9.810 3.904 1.00 0.00 O ATOM 1702 CB CYS B 661 4.081 8.171 1.084 1.00 0.00 C ATOM 1703 SG CYS B 661 4.464 6.649 0.192 1.00 0.00 S ATOM 0 H CYS B 661 2.104 6.766 1.543 1.00 0.00 H new ATOM 0 HA CYS B 661 4.314 7.410 3.079 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.338 8.735 0.520 1.00 0.00 H new ATOM 0 HB3 CYS B 661 4.979 8.788 1.134 1.00 0.00 H new ATOM 0 HG CYS B 661 3.487 5.803 0.338 1.00 0.00 H new ATOM 1709 N CYS B 662 2.087 9.794 2.972 1.00 0.00 N ATOM 1710 CA CYS B 662 1.699 11.066 3.534 1.00 0.00 C ATOM 1711 C CYS B 662 0.218 11.057 3.864 1.00 0.00 C ATOM 1712 O CYS B 662 -0.619 11.459 3.052 1.00 0.00 O ATOM 1713 CB CYS B 662 2.050 12.210 2.579 1.00 0.00 C ATOM 1714 SG CYS B 662 3.814 12.617 2.555 1.00 0.00 S ATOM 0 H CYS B 662 1.363 9.342 2.414 1.00 0.00 H new ATOM 0 HA CYS B 662 2.254 11.228 4.458 1.00 0.00 H new ATOM 0 HB2 CYS B 662 1.734 11.941 1.571 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.485 13.097 2.864 1.00 0.00 H new ATOM 0 HG CYS B 662 4.492 11.640 3.081 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.111 10.580 5.077 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.492 10.465 5.553 1.00 0.00 C ATOM 1722 C PRO B 663 -2.273 11.757 5.399 1.00 0.00 C ATOM 1723 O PRO B 663 -3.471 11.738 5.126 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.325 10.121 7.032 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.010 9.437 7.108 1.00 0.00 C ATOM 1726 CD PRO B 663 0.856 10.108 6.083 1.00 0.00 C ATOM 0 HA PRO B 663 -2.056 9.725 4.984 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.343 11.017 7.652 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.130 9.475 7.383 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.421 9.527 8.105 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.110 8.372 6.899 1.00 0.00 H new ATOM 0 HD2 PRO B 663 1.423 10.933 6.514 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.579 9.415 5.652 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.582 12.876 5.567 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.197 14.182 5.421 1.00 0.00 C ATOM 1736 C GLU B 664 -2.857 14.308 4.055 1.00 0.00 C ATOM 1737 O GLU B 664 -4.011 14.702 3.957 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.151 15.280 5.600 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.398 15.185 6.914 1.00 0.00 C ATOM 1740 CD GLU B 664 0.606 16.301 7.094 1.00 0.00 C ATOM 1741 OE1 GLU B 664 1.744 16.171 6.593 1.00 0.00 O ATOM 1742 OE2 GLU B 664 0.268 17.313 7.738 1.00 0.00 O1- ATOM 0 H GLU B 664 -0.591 12.902 5.806 1.00 0.00 H new ATOM 0 HA GLU B 664 -2.961 14.293 6.190 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.438 15.231 4.777 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.641 16.252 5.540 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -1.111 15.207 7.739 1.00 0.00 H new ATOM 0 HG3 GLU B 664 0.118 14.226 6.964 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.129 13.927 3.013 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.621 14.063 1.646 1.00 0.00 C ATOM 1751 C ARG B 665 -3.627 12.962 1.296 1.00 0.00 C ATOM 1752 O ARG B 665 -4.674 13.244 0.708 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.455 14.063 0.652 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.894 14.241 -0.793 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.708 14.465 -1.717 1.00 0.00 C ATOM 1756 NE ARG B 665 -1.099 14.451 -3.127 1.00 0.00 N ATOM 1757 CZ ARG B 665 -0.745 15.375 -4.017 1.00 0.00 C ATOM 1758 NH1 ARG B 665 -0.029 16.432 -3.650 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -1.128 15.239 -5.278 1.00 0.00 N ATOM 0 H ARG B 665 -1.196 13.521 3.087 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.141 15.019 1.576 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.763 14.863 0.915 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -0.908 13.125 0.745 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.446 13.359 -1.117 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.576 15.088 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.240 15.421 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG B 665 0.040 13.692 -1.541 1.00 0.00 H new ATOM 0 HE ARG B 665 -1.683 13.680 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG B 665 0.256 16.542 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG B 665 0.236 17.133 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -1.688 14.433 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG B 665 -0.863 15.940 -5.970 1.00 0.00 H new ATOM 1773 N THR B 666 -3.320 11.717 1.654 1.00 0.00 N ATOM 1774 CA THR B 666 -4.218 10.602 1.363 1.00 0.00 C ATOM 1775 C THR B 666 -5.578 10.817 2.038 1.00 0.00 C ATOM 1776 O THR B 666 -6.627 10.578 1.438 1.00 0.00 O ATOM 1777 CB THR B 666 -3.598 9.257 1.806 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.247 9.182 1.333 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.387 8.065 1.259 1.00 0.00 C ATOM 0 H THR B 666 -2.463 11.456 2.142 1.00 0.00 H new ATOM 0 HA THR B 666 -4.368 10.563 0.284 1.00 0.00 H new ATOM 0 HB THR B 666 -3.627 9.213 2.895 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.244 8.900 0.394 1.00 0.00 H new ATOM 0 HG21 THR B 666 -3.921 7.137 1.591 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.412 8.108 1.626 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.390 8.100 0.170 1.00 0.00 H new ATOM 1787 N SER B 667 -5.561 11.304 3.272 1.00 0.00 N ATOM 1788 CA SER B 667 -6.783 11.643 3.973 1.00 0.00 C ATOM 1789 C SER B 667 -7.410 12.927 3.417 1.00 0.00 C ATOM 1790 O SER B 667 -8.629 13.031 3.319 1.00 0.00 O ATOM 1791 CB SER B 667 -6.492 11.787 5.463 1.00 0.00 C ATOM 1792 OG SER B 667 -6.111 10.547 6.036 1.00 0.00 O ATOM 0 H SER B 667 -4.708 11.472 3.806 1.00 0.00 H new ATOM 0 HA SER B 667 -7.503 10.839 3.822 1.00 0.00 H new ATOM 0 HB2 SER B 667 -5.697 12.518 5.611 1.00 0.00 H new ATOM 0 HB3 SER B 667 -7.376 12.169 5.973 1.00 0.00 H new ATOM 0 HG SER B 667 -5.393 10.147 5.503 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.577 13.901 3.055 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.057 15.149 2.472 1.00 0.00 C ATOM 1800 C GLN B 668 -7.888 14.937 1.220 1.00 0.00 C ATOM 1801 O GLN B 668 -8.989 15.464 1.099 1.00 0.00 O ATOM 1802 CB GLN B 668 -5.889 16.029 2.116 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.780 17.229 3.012 1.00 0.00 C ATOM 1804 CD GLN B 668 -6.666 18.396 2.596 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -7.821 18.108 2.011 1.00 0.00 O flip ATOM 1806 NE2 GLN B 668 -6.314 19.558 2.808 1.00 0.00 N flip ATOM 0 H GLN B 668 -5.563 13.848 3.156 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.691 15.616 3.225 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -4.969 15.448 2.178 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -5.989 16.359 1.082 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.038 16.935 4.029 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -4.742 17.563 3.031 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -5.419 19.745 3.260 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -6.918 20.332 2.531 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.350 14.177 0.286 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.958 14.068 -1.026 1.00 0.00 C ATOM 1817 C LEU B 669 -8.936 12.907 -1.084 1.00 0.00 C ATOM 1818 O LEU B 669 -10.016 13.014 -1.663 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.876 13.880 -2.090 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.619 14.736 -1.911 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.663 14.517 -3.071 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.964 16.213 -1.766 1.00 0.00 C ATOM 0 H LEU B 669 -6.499 13.629 0.410 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.506 14.990 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.581 12.831 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.309 14.101 -3.066 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.128 14.424 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.774 15.132 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.375 13.466 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.153 14.795 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.048 16.790 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.488 16.554 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.603 16.353 -0.894 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.559 11.801 -0.471 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.306 10.562 -0.613 1.00 0.00 C ATOM 1836 C PHE B 670 -10.125 10.261 0.635 1.00 0.00 C ATOM 1837 O PHE B 670 -10.792 9.229 0.712 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.333 9.415 -0.896 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.285 9.771 -1.911 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.635 10.282 -3.150 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -5.946 9.601 -1.617 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.668 10.613 -4.077 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -4.974 9.929 -2.537 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.334 10.436 -3.770 1.00 0.00 C ATOM 0 H PHE B 670 -7.739 11.733 0.131 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.001 10.670 -1.445 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.846 9.122 0.034 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -8.893 8.549 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.678 10.423 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.657 9.206 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.954 11.009 -5.040 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.931 9.790 -2.294 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.574 10.693 -4.492 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.051 11.170 1.613 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.761 11.033 2.895 1.00 0.00 C ATOM 1856 C ASP B 671 -10.424 9.720 3.592 1.00 0.00 C ATOM 1857 O ASP B 671 -11.099 9.316 4.540 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.279 11.152 2.713 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.743 12.585 2.547 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.664 13.354 3.529 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -13.193 12.951 1.441 1.00 0.00 O ATOM 0 H ASP B 671 -9.497 12.023 1.541 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.421 11.853 3.527 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.581 10.574 1.840 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.779 10.711 3.576 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.368 9.068 3.134 1.00 0.00 N ATOM 1867 CA LEU B 672 -8.996 7.769 3.649 1.00 0.00 C ATOM 1868 C LEU B 672 -7.942 7.907 4.738 1.00 0.00 C ATOM 1869 O LEU B 672 -6.837 8.392 4.482 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.475 6.879 2.514 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.002 5.495 2.961 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.185 4.657 3.420 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.243 4.791 1.846 1.00 0.00 C ATOM 0 H LEU B 672 -8.753 9.423 2.402 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.880 7.303 4.083 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.265 6.757 1.773 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.649 7.389 2.019 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.319 5.621 3.801 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -8.834 3.674 3.735 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.679 5.152 4.256 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -9.891 4.543 2.598 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -6.918 3.809 2.191 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -7.894 4.674 0.980 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.372 5.384 1.568 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.282 7.515 5.977 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.341 7.495 7.094 1.00 0.00 C ATOM 1887 C PRO B 673 -6.131 6.620 6.806 1.00 0.00 C ATOM 1888 O PRO B 673 -6.261 5.511 6.289 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.171 6.892 8.221 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.558 7.256 7.880 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.618 7.072 6.406 1.00 0.00 C ATOM 0 HA PRO B 673 -6.936 8.482 7.315 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -8.044 5.811 8.275 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -7.880 7.296 9.191 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -10.277 6.617 8.393 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -9.784 8.284 8.165 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.808 6.034 6.134 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.409 7.670 5.954 1.00 0.00 H new ATOM 1899 N CYS B 674 -4.963 7.130 7.134 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.724 6.425 6.859 1.00 0.00 C ATOM 1901 C CYS B 674 -2.709 6.658 7.964 1.00 0.00 C ATOM 1902 O CYS B 674 -2.557 7.774 8.456 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.167 6.889 5.512 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.876 8.446 4.937 1.00 0.00 S ATOM 0 H CYS B 674 -4.843 8.033 7.593 1.00 0.00 H new ATOM 0 HA CYS B 674 -3.927 5.355 6.817 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.086 7.000 5.594 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -3.353 6.117 4.766 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.095 8.245 4.533 1.00 0.00 H new ATOM 1910 N SER B 675 -2.048 5.591 8.380 1.00 0.00 N ATOM 1911 CA SER B 675 -0.928 5.698 9.298 1.00 0.00 C ATOM 1912 C SER B 675 0.289 6.209 8.534 1.00 0.00 C ATOM 1913 O SER B 675 0.320 6.155 7.305 1.00 0.00 O ATOM 1914 CB SER B 675 -0.645 4.334 9.931 1.00 0.00 C ATOM 1915 OG SER B 675 -1.822 3.799 10.517 1.00 0.00 O ATOM 0 H SER B 675 -2.269 4.637 8.095 1.00 0.00 H new ATOM 0 HA SER B 675 -1.164 6.399 10.099 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.266 3.648 9.174 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.132 4.433 10.689 1.00 0.00 H new ATOM 0 HG SER B 675 -2.365 3.368 9.825 1.00 0.00 H new ATOM 1921 N LYS B 676 1.275 6.734 9.237 1.00 0.00 N ATOM 1922 CA LYS B 676 2.431 7.308 8.572 1.00 0.00 C ATOM 1923 C LYS B 676 3.369 6.228 8.066 1.00 0.00 C ATOM 1924 O LYS B 676 4.029 5.543 8.847 1.00 0.00 O ATOM 1925 CB LYS B 676 3.190 8.262 9.493 1.00 0.00 C ATOM 1926 CG LYS B 676 4.425 8.873 8.841 1.00 0.00 C ATOM 1927 CD LYS B 676 4.077 9.575 7.534 1.00 0.00 C ATOM 1928 CE LYS B 676 5.255 10.356 6.971 1.00 0.00 C ATOM 1929 NZ LYS B 676 6.426 9.484 6.684 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.300 6.775 10.256 1.00 0.00 H new ATOM 0 HA LYS B 676 2.057 7.874 7.719 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.520 9.062 9.808 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.490 7.725 10.393 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.885 9.585 9.526 1.00 0.00 H new ATOM 0 HG3 LYS B 676 5.161 8.092 8.651 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.750 8.836 6.802 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.239 10.253 7.699 1.00 0.00 H new ATOM 0 HE2 LYS B 676 4.948 10.862 6.055 1.00 0.00 H new ATOM 0 HE3 LYS B 676 5.547 11.130 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.920 9.833 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 7.077 9.498 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.101 8.510 6.518 1.00 0.00 H new ATOM 1943 N LEU B 677 3.416 6.076 6.753 1.00 0.00 N ATOM 1944 CA LEU B 677 4.392 5.206 6.134 1.00 0.00 C ATOM 1945 C LEU B 677 5.737 5.908 6.178 1.00 0.00 C ATOM 1946 O LEU B 677 5.934 6.944 5.537 1.00 0.00 O ATOM 1947 CB LEU B 677 3.969 4.859 4.693 1.00 0.00 C ATOM 1948 CG LEU B 677 4.850 3.854 3.933 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.105 4.512 3.376 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.216 2.693 4.836 1.00 0.00 C ATOM 0 H LEU B 677 2.789 6.545 6.099 1.00 0.00 H new ATOM 0 HA LEU B 677 4.463 4.261 6.673 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.953 4.465 4.723 1.00 0.00 H new ATOM 0 HB3 LEU B 677 3.935 5.784 4.117 1.00 0.00 H new ATOM 0 HG LEU B 677 4.274 3.480 3.086 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.701 3.769 2.846 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.823 5.309 2.688 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.691 4.930 4.195 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.840 1.988 4.287 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.764 3.064 5.702 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.308 2.191 5.169 1.00 0.00 H new ATOM 1962 N SER B 678 6.632 5.380 6.982 1.00 0.00 N ATOM 1963 CA SER B 678 7.933 5.980 7.159 1.00 0.00 C ATOM 1964 C SER B 678 9.028 4.930 7.129 1.00 0.00 C ATOM 1965 O SER B 678 8.752 3.734 7.122 1.00 0.00 O ATOM 1966 CB SER B 678 7.968 6.741 8.480 1.00 0.00 C ATOM 1967 OG SER B 678 7.454 5.953 9.542 1.00 0.00 O ATOM 0 H SER B 678 6.480 4.531 7.526 1.00 0.00 H new ATOM 0 HA SER B 678 8.111 6.672 6.336 1.00 0.00 H new ATOM 0 HB2 SER B 678 8.993 7.035 8.706 1.00 0.00 H new ATOM 0 HB3 SER B 678 7.386 7.658 8.390 1.00 0.00 H new ATOM 0 HG SER B 678 7.312 5.035 9.229 1.00 0.00 H new ATOM 1973 N VAL B 679 10.267 5.391 7.095 1.00 0.00 N ATOM 1974 CA VAL B 679 11.413 4.516 7.160 1.00 0.00 C ATOM 1975 C VAL B 679 11.322 3.596 8.379 1.00 0.00 C ATOM 1976 O VAL B 679 11.074 4.043 9.499 1.00 0.00 O ATOM 1977 CB VAL B 679 12.714 5.349 7.162 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.583 6.557 8.076 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.916 4.507 7.549 1.00 0.00 C ATOM 0 H VAL B 679 10.501 6.381 7.022 1.00 0.00 H new ATOM 0 HA VAL B 679 11.426 3.878 6.277 1.00 0.00 H new ATOM 0 HB VAL B 679 12.876 5.705 6.145 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.512 7.127 8.060 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.764 7.188 7.730 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.379 6.223 9.093 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.813 5.127 7.539 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.768 4.099 8.549 1.00 0.00 H new ATOM 0 HG23 VAL B 679 14.032 3.690 6.837 1.00 0.00 H new ATOM 1989 N GLY B 680 11.491 2.305 8.137 1.00 0.00 N ATOM 1990 CA GLY B 680 11.287 1.309 9.166 1.00 0.00 C ATOM 1991 C GLY B 680 10.042 0.474 8.931 1.00 0.00 C ATOM 1992 O GLY B 680 9.948 -0.653 9.416 1.00 0.00 O ATOM 0 H GLY B 680 11.770 1.926 7.232 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.157 0.653 9.210 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.211 1.803 10.135 1.00 0.00 H new ATOM 1996 N ASP B 681 9.086 1.011 8.178 1.00 0.00 N ATOM 1997 CA ASP B 681 7.820 0.313 7.959 1.00 0.00 C ATOM 1998 C ASP B 681 7.939 -0.718 6.839 1.00 0.00 C ATOM 1999 O ASP B 681 8.142 -0.374 5.676 1.00 0.00 O ATOM 2000 CB ASP B 681 6.690 1.300 7.642 1.00 0.00 C ATOM 2001 CG ASP B 681 6.287 2.148 8.836 1.00 0.00 C ATOM 2002 OD1 ASP B 681 5.620 1.617 9.752 1.00 0.00 O ATOM 2003 OD2 ASP B 681 6.619 3.354 8.864 1.00 0.00 O1- ATOM 0 H ASP B 681 9.160 1.916 7.714 1.00 0.00 H new ATOM 0 HA ASP B 681 7.578 -0.209 8.885 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.005 1.954 6.829 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.821 0.746 7.287 1.00 0.00 H new ATOM 2008 N VAL B 682 7.802 -1.987 7.192 1.00 0.00 N ATOM 2009 CA VAL B 682 7.927 -3.066 6.216 1.00 0.00 C ATOM 2010 C VAL B 682 6.709 -3.125 5.294 1.00 0.00 C ATOM 2011 O VAL B 682 5.649 -3.618 5.678 1.00 0.00 O ATOM 2012 CB VAL B 682 8.090 -4.431 6.915 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.166 -5.553 5.899 1.00 0.00 C ATOM 2014 CG2 VAL B 682 9.318 -4.444 7.808 1.00 0.00 C ATOM 0 H VAL B 682 7.605 -2.297 8.143 1.00 0.00 H new ATOM 0 HA VAL B 682 8.816 -2.854 5.622 1.00 0.00 H new ATOM 0 HB VAL B 682 7.211 -4.590 7.540 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.281 -6.505 6.417 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.251 -5.570 5.307 1.00 0.00 H new ATOM 0 HG13 VAL B 682 9.021 -5.392 5.242 1.00 0.00 H new ATOM 0 HG21 VAL B 682 9.408 -5.418 8.288 1.00 0.00 H new ATOM 0 HG22 VAL B 682 10.207 -4.252 7.207 1.00 0.00 H new ATOM 0 HG23 VAL B 682 9.221 -3.671 8.571 1.00 0.00 H new ATOM 2024 N CYS B 683 6.881 -2.686 4.061 1.00 0.00 N ATOM 2025 CA CYS B 683 5.765 -2.590 3.138 1.00 0.00 C ATOM 2026 C CYS B 683 5.472 -3.923 2.476 1.00 0.00 C ATOM 2027 O CYS B 683 6.377 -4.721 2.212 1.00 0.00 O ATOM 2028 CB CYS B 683 6.034 -1.522 2.078 1.00 0.00 C ATOM 2029 SG CYS B 683 6.199 0.141 2.763 1.00 0.00 S ATOM 0 H CYS B 683 7.779 -2.391 3.676 1.00 0.00 H new ATOM 0 HA CYS B 683 4.886 -2.302 3.715 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.946 -1.777 1.539 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.222 -1.529 1.351 1.00 0.00 H new ATOM 0 HG CYS B 683 7.099 0.799 2.094 1.00 0.00 H new ATOM 2035 N ILE B 684 4.195 -4.155 2.243 1.00 0.00 N ATOM 2036 CA ILE B 684 3.729 -5.335 1.548 1.00 0.00 C ATOM 2037 C ILE B 684 3.815 -5.117 0.044 1.00 0.00 C ATOM 2038 O ILE B 684 3.229 -4.168 -0.478 1.00 0.00 O ATOM 2039 CB ILE B 684 2.252 -5.639 1.899 1.00 0.00 C ATOM 2040 CG1 ILE B 684 2.104 -6.054 3.360 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.683 -6.712 0.980 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.659 -6.191 3.793 1.00 0.00 C ATOM 0 H ILE B 684 3.448 -3.524 2.533 1.00 0.00 H new ATOM 0 HA ILE B 684 4.359 -6.170 1.856 1.00 0.00 H new ATOM 0 HB ILE B 684 1.683 -4.721 1.749 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.616 -7.004 3.516 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.599 -5.318 3.993 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.644 -6.907 1.248 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.733 -6.370 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE B 684 2.263 -7.628 1.087 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.620 -6.488 4.841 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.149 -5.236 3.667 1.00 0.00 H new ATOM 0 HD13 ILE B 684 0.166 -6.948 3.183 1.00 0.00 H new ATOM 2054 N SER B 685 4.545 -5.964 -0.653 1.00 0.00 N ATOM 2055 CA SER B 685 4.479 -5.953 -2.098 1.00 0.00 C ATOM 2056 C SER B 685 3.471 -6.998 -2.535 1.00 0.00 C ATOM 2057 O SER B 685 3.632 -8.185 -2.250 1.00 0.00 O ATOM 2058 CB SER B 685 5.842 -6.235 -2.731 1.00 0.00 C ATOM 2059 OG SER B 685 5.831 -5.923 -4.115 1.00 0.00 O ATOM 0 H SER B 685 5.179 -6.655 -0.252 1.00 0.00 H new ATOM 0 HA SER B 685 4.173 -4.962 -2.432 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.610 -5.648 -2.228 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.102 -7.285 -2.593 1.00 0.00 H new ATOM 0 HG SER B 685 6.713 -6.110 -4.499 1.00 0.00 H new ATOM 2065 N LEU B 686 2.424 -6.553 -3.195 1.00 0.00 N ATOM 2066 CA LEU B 686 1.395 -7.450 -3.658 1.00 0.00 C ATOM 2067 C LEU B 686 1.576 -7.676 -5.149 1.00 0.00 C ATOM 2068 O LEU B 686 1.555 -6.724 -5.931 1.00 0.00 O ATOM 2069 CB LEU B 686 0.019 -6.843 -3.375 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.106 -7.830 -3.061 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.358 -8.786 -4.212 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.794 -8.602 -1.798 1.00 0.00 C ATOM 0 H LEU B 686 2.265 -5.571 -3.422 1.00 0.00 H new ATOM 0 HA LEU B 686 1.468 -8.404 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU B 686 0.115 -6.155 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.278 -6.250 -4.240 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.016 -7.249 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -2.165 -9.470 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.639 -8.220 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.452 -9.356 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.605 -9.300 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.136 -9.155 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.688 -7.908 -0.964 1.00 0.00 H new ATOM 2084 N THR B 687 1.742 -8.922 -5.545 1.00 0.00 N ATOM 2085 CA THR B 687 1.986 -9.231 -6.938 1.00 0.00 C ATOM 2086 C THR B 687 0.690 -9.630 -7.626 1.00 0.00 C ATOM 2087 O THR B 687 0.049 -10.611 -7.247 1.00 0.00 O ATOM 2088 CB THR B 687 3.006 -10.375 -7.084 1.00 0.00 C ATOM 2089 OG1 THR B 687 2.503 -11.550 -6.450 1.00 0.00 O ATOM 2090 CG2 THR B 687 4.348 -10.000 -6.472 1.00 0.00 C ATOM 0 H THR B 687 1.713 -9.732 -4.926 1.00 0.00 H new ATOM 0 HA THR B 687 2.392 -8.335 -7.408 1.00 0.00 H new ATOM 0 HB THR B 687 3.156 -10.562 -8.147 1.00 0.00 H new ATOM 0 HG1 THR B 687 1.532 -11.599 -6.574 1.00 0.00 H new ATOM 0 HG21 THR B 687 5.046 -10.828 -6.591 1.00 0.00 H new ATOM 0 HG22 THR B 687 4.743 -9.117 -6.974 1.00 0.00 H new ATOM 0 HG23 THR B 687 4.217 -9.786 -5.411 1.00 0.00 H new ATOM 2098 N LEU B 688 0.308 -8.856 -8.625 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.873 -9.148 -9.416 1.00 0.00 C ATOM 2100 C LEU B 688 -0.468 -9.866 -10.698 1.00 0.00 C ATOM 2101 O LEU B 688 -0.037 -9.234 -11.664 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.618 -7.851 -9.761 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.860 -7.527 -8.918 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -3.970 -8.521 -9.202 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.536 -7.501 -7.428 1.00 0.00 C ATOM 0 H LEU B 688 0.805 -8.012 -8.910 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.536 -9.789 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -0.918 -7.021 -9.669 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -1.919 -7.899 -10.807 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.200 -6.531 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -4.842 -8.276 -8.596 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.238 -8.476 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.629 -9.527 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.439 -7.269 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.157 -8.476 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.780 -6.740 -7.233 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.583 -11.182 -10.699 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.209 -11.969 -11.857 1.00 0.00 C ATOM 2119 C LYS B 689 -1.363 -12.063 -12.841 1.00 0.00 C ATOM 2120 O LYS B 689 -2.260 -12.900 -12.626 1.00 0.00 O ATOM 2121 CB LYS B 689 0.243 -13.354 -11.434 1.00 0.00 C ATOM 2122 CG LYS B 689 1.575 -13.340 -10.711 1.00 0.00 C ATOM 2123 CD LYS B 689 2.700 -12.838 -11.605 1.00 0.00 C ATOM 2124 CE LYS B 689 2.920 -13.745 -12.805 1.00 0.00 C ATOM 2125 NZ LYS B 689 4.052 -13.282 -13.651 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -1.376 -11.291 -13.819 1.00 0.00 O ATOM 0 H LYS B 689 -0.932 -11.727 -9.911 1.00 0.00 H new ATOM 0 HA LYS B 689 0.623 -11.470 -12.354 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.513 -13.796 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS B 689 0.319 -13.992 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.502 -12.705 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.810 -14.346 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.467 -11.830 -11.950 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.621 -12.772 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS B 689 3.116 -14.761 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS B 689 2.010 -13.781 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.169 -13.927 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 3.854 -12.323 -14.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.926 -13.272 -13.087 1.00 0.00 H new