USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1065 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 660 SER OG : rot 165:sc= 0.344 USER MOD Set 1.2: B 666 THR OG1 : rot -73:sc= 0.601 USER MOD Single : A 38 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-1.7) USER MOD Single : A 39 SER OG : rot 69:sc= 0.866 USER MOD Single : A 47 SER OG : rot -2:sc= 1.09 USER MOD Single : A 48 GLN : amide:sc= -0.0353 K(o=-0.035,f=-0.85) USER MOD Single : B 570 THR OG1 : rot 180:sc=-0.000588 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -140:sc= 0 (180deg=-0.303) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot -93:sc= -0.772 USER MOD Single : B 582 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.4) USER MOD Single : B 585 ASN : amide:sc= -1.58! C(o=-1.6!,f=-13!) USER MOD Single : B 589 LYS NZ :NH3+ 148:sc= -0.675 (180deg=-1.7!) USER MOD Single : B 590 LYS NZ :NH3+ -177:sc= 0.698 (180deg=0.611) USER MOD Single : B 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 596 THR OG1 : rot 122:sc= -1.19! USER MOD Single : B 601 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 602 SER OG : rot 114:sc= 1.17 USER MOD Single : B 606 SER OG : rot 62:sc= 1.23 USER MOD Single : B 607 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 610 LYS NZ :NH3+ -149:sc= -2.33! (180deg=-3.63!) USER MOD Single : B 613 SER OG : rot 38:sc= 0.142 USER MOD Single : B 614 SER OG : rot 100:sc= -1.98 USER MOD Single : B 615 THR OG1 : rot 180:sc= -1.96! USER MOD Single : B 622 SER OG : rot 180:sc= -0.0107 USER MOD Single : B 623 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 624 SER OG : rot 180:sc= 0 USER MOD Single : B 631 GLN : amide:sc= -0.239 K(o=-0.24,f=-4.3!) USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 640 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.0089) 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= -6.61! C(o=-13!,f=-6.6!) USER MOD Single : B 659 SER OG : rot 180:sc= -0.759 USER MOD Single : B 661 CYS SG : rot 66:sc= 0.274 USER MOD Single : B 662 CYS SG : rot 25:sc= -3.21! USER MOD Single : B 667 SER OG : rot -88:sc= 1.18 USER MOD Single : B 668 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 674 CYS SG : rot 20:sc= -2.28! USER MOD Single : B 675 SER OG : rot 82:sc= 0.733 USER MOD Single : B 676 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0784) USER MOD Single : B 678 SER OG : rot 180:sc=-0.00904 USER MOD Single : B 683 CYS SG : rot 129:sc= -0.833 USER MOD Single : B 685 SER OG : rot 137:sc= 1.25 USER MOD Single : B 687 THR OG1 : rot 180:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -18.527 -4.298 -5.011 1.00 0.00 N ATOM 2 CA VAL A 34 -17.165 -4.346 -4.432 1.00 0.00 C ATOM 3 C VAL A 34 -16.108 -4.232 -5.509 1.00 0.00 C ATOM 4 O VAL A 34 -16.380 -4.432 -6.693 1.00 0.00 O ATOM 5 CB VAL A 34 -16.893 -5.657 -3.668 1.00 0.00 C ATOM 6 CG1 VAL A 34 -17.580 -5.669 -2.327 1.00 0.00 C ATOM 7 CG2 VAL A 34 -17.315 -6.861 -4.490 1.00 0.00 C ATOM 0 HA VAL A 34 -17.114 -3.503 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.819 -5.715 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.366 -6.608 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -17.216 -4.837 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.656 -5.570 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.113 -7.773 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.381 -6.797 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.754 -6.878 -5.425 1.00 0.00 H new ATOM 19 N PHE A 35 -14.900 -3.922 -5.079 1.00 0.00 N ATOM 20 CA PHE A 35 -13.747 -3.896 -5.956 1.00 0.00 C ATOM 21 C PHE A 35 -12.722 -4.901 -5.469 1.00 0.00 C ATOM 22 O PHE A 35 -12.578 -5.103 -4.259 1.00 0.00 O ATOM 23 CB PHE A 35 -13.132 -2.496 -5.999 1.00 0.00 C ATOM 24 CG PHE A 35 -13.815 -1.581 -6.969 1.00 0.00 C ATOM 25 CD1 PHE A 35 -15.173 -1.347 -6.879 1.00 0.00 C ATOM 26 CD2 PHE A 35 -13.099 -0.967 -7.983 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.809 -0.518 -7.774 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.729 -0.135 -8.885 1.00 0.00 C ATOM 29 CZ PHE A 35 -15.086 0.090 -8.781 1.00 0.00 C ATOM 0 H PHE A 35 -14.691 -3.681 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.064 -4.159 -6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -13.175 -2.056 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.078 -2.577 -6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.744 -1.822 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.037 -1.141 -8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.871 -0.343 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.161 0.339 -9.671 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.582 0.741 -9.486 1.00 0.00 H new ATOM 39 N PRO A 36 -12.031 -5.574 -6.403 1.00 0.00 N ATOM 40 CA PRO A 36 -10.944 -6.488 -6.065 1.00 0.00 C ATOM 41 C PRO A 36 -9.940 -5.814 -5.145 1.00 0.00 C ATOM 42 O PRO A 36 -9.493 -4.697 -5.420 1.00 0.00 O ATOM 43 CB PRO A 36 -10.315 -6.812 -7.417 1.00 0.00 C ATOM 44 CG PRO A 36 -11.414 -6.618 -8.400 1.00 0.00 C ATOM 45 CD PRO A 36 -12.262 -5.501 -7.858 1.00 0.00 C ATOM 0 HA PRO A 36 -11.284 -7.377 -5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.472 -6.154 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.936 -7.834 -7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.018 -6.365 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.999 -7.530 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.963 -4.535 -8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.315 -5.639 -8.105 1.00 0.00 H new ATOM 53 N TRP A 37 -9.596 -6.501 -4.062 1.00 0.00 N ATOM 54 CA TRP A 37 -8.835 -5.917 -2.963 1.00 0.00 C ATOM 55 C TRP A 37 -7.574 -5.173 -3.410 1.00 0.00 C ATOM 56 O TRP A 37 -7.162 -4.213 -2.756 1.00 0.00 O ATOM 57 CB TRP A 37 -8.482 -6.983 -1.931 1.00 0.00 C ATOM 58 CG TRP A 37 -7.884 -8.224 -2.512 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.549 -9.226 -3.148 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.511 -8.607 -2.493 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.676 -10.205 -3.534 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.417 -9.850 -3.139 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.348 -8.019 -1.994 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.212 -10.516 -3.296 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.150 -8.683 -2.153 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.090 -9.921 -2.800 1.00 0.00 C ATOM 0 H TRP A 37 -9.838 -7.482 -3.921 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.487 -5.168 -2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.782 -6.558 -1.211 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.383 -7.251 -1.379 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.615 -9.245 -3.323 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.924 -11.059 -4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.385 -7.063 -1.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.163 -11.473 -3.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.242 -8.239 -1.771 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.136 -10.416 -2.909 1.00 0.00 H new ATOM 77 N HIS A 38 -6.945 -5.617 -4.499 1.00 0.00 N ATOM 78 CA HIS A 38 -5.817 -4.891 -5.061 1.00 0.00 C ATOM 79 C HIS A 38 -6.272 -3.551 -5.650 1.00 0.00 C ATOM 80 O HIS A 38 -6.457 -3.406 -6.857 1.00 0.00 O ATOM 81 CB HIS A 38 -5.090 -5.739 -6.115 1.00 0.00 C ATOM 82 CG HIS A 38 -5.962 -6.273 -7.222 1.00 0.00 C ATOM 83 ND1 HIS A 38 -6.059 -5.676 -8.462 1.00 0.00 N ATOM 84 CD2 HIS A 38 -6.750 -7.372 -7.276 1.00 0.00 C ATOM 85 CE1 HIS A 38 -6.868 -6.384 -9.226 1.00 0.00 C ATOM 86 NE2 HIS A 38 -7.300 -7.415 -8.530 1.00 0.00 N ATOM 0 H HIS A 38 -7.198 -6.468 -5.002 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.112 -4.683 -4.256 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.296 -5.137 -6.558 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.611 -6.580 -5.614 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.915 -8.082 -6.479 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.131 -6.157 -10.248 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.942 -8.131 -8.870 1.00 0.00 H new ATOM 95 N SER A 39 -6.463 -2.578 -4.778 1.00 0.00 N ATOM 96 CA SER A 39 -6.958 -1.272 -5.176 1.00 0.00 C ATOM 97 C SER A 39 -6.173 -0.168 -4.465 1.00 0.00 C ATOM 98 O SER A 39 -5.690 0.779 -5.084 1.00 0.00 O ATOM 99 CB SER A 39 -8.453 -1.188 -4.833 1.00 0.00 C ATOM 100 OG SER A 39 -8.981 0.097 -5.100 1.00 0.00 O ATOM 0 H SER A 39 -6.281 -2.669 -3.779 1.00 0.00 H new ATOM 0 HA SER A 39 -6.825 -1.135 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.001 -1.933 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.599 -1.429 -3.780 1.00 0.00 H new ATOM 0 HG SER A 39 -9.005 0.246 -6.068 1.00 0.00 H new ATOM 106 N LEU A 40 -6.024 -0.337 -3.163 1.00 0.00 N ATOM 107 CA LEU A 40 -5.364 0.642 -2.300 1.00 0.00 C ATOM 108 C LEU A 40 -3.924 0.225 -2.029 1.00 0.00 C ATOM 109 O LEU A 40 -3.168 0.948 -1.387 1.00 0.00 O ATOM 110 CB LEU A 40 -6.134 0.760 -0.978 1.00 0.00 C ATOM 111 CG LEU A 40 -7.197 -0.327 -0.749 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.490 -0.494 0.726 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.484 0.014 -1.495 1.00 0.00 C ATOM 0 H LEU A 40 -6.358 -1.162 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.355 1.610 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.420 0.729 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.619 1.735 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.801 -1.266 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.245 -1.268 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.577 -0.782 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.859 0.448 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.224 -0.767 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.871 0.967 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.277 0.086 -2.563 1.00 0.00 H new ATOM 125 N VAL A 41 -3.556 -0.951 -2.519 1.00 0.00 N ATOM 126 CA VAL A 41 -2.221 -1.468 -2.340 1.00 0.00 C ATOM 127 C VAL A 41 -1.318 -1.026 -3.493 1.00 0.00 C ATOM 128 O VAL A 41 -1.662 -1.194 -4.666 1.00 0.00 O ATOM 129 CB VAL A 41 -2.244 -3.012 -2.226 1.00 0.00 C ATOM 130 CG1 VAL A 41 -2.837 -3.662 -3.471 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.856 -3.542 -1.955 1.00 0.00 C ATOM 0 H VAL A 41 -4.176 -1.565 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.817 -1.064 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.888 -3.272 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.835 -4.745 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.860 -3.314 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.240 -3.392 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.890 -4.629 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.192 -3.257 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.483 -3.123 -1.020 1.00 0.00 H new ATOM 141 N PRO A 42 -0.172 -0.413 -3.174 1.00 0.00 N ATOM 142 CA PRO A 42 0.791 0.024 -4.178 1.00 0.00 C ATOM 143 C PRO A 42 1.682 -1.118 -4.642 1.00 0.00 C ATOM 144 O PRO A 42 1.878 -2.103 -3.926 1.00 0.00 O ATOM 145 CB PRO A 42 1.612 1.067 -3.427 1.00 0.00 C ATOM 146 CG PRO A 42 1.618 0.573 -2.024 1.00 0.00 C ATOM 147 CD PRO A 42 0.279 -0.084 -1.807 1.00 0.00 C ATOM 0 HA PRO A 42 0.313 0.402 -5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.623 1.145 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.163 2.058 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.430 -0.136 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.768 1.394 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.366 -0.977 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.419 0.585 -1.305 1.00 0.00 H new ATOM 155 N PHE A 43 2.232 -0.985 -5.831 1.00 0.00 N ATOM 156 CA PHE A 43 3.089 -2.018 -6.370 1.00 0.00 C ATOM 157 C PHE A 43 4.552 -1.635 -6.212 1.00 0.00 C ATOM 158 O PHE A 43 5.200 -1.184 -7.157 1.00 0.00 O ATOM 159 CB PHE A 43 2.741 -2.293 -7.834 1.00 0.00 C ATOM 160 CG PHE A 43 1.313 -2.728 -8.017 1.00 0.00 C ATOM 161 CD1 PHE A 43 0.835 -3.864 -7.381 1.00 0.00 C ATOM 162 CD2 PHE A 43 0.449 -2.003 -8.821 1.00 0.00 C ATOM 163 CE1 PHE A 43 -0.476 -4.265 -7.543 1.00 0.00 C ATOM 164 CE2 PHE A 43 -0.864 -2.401 -8.986 1.00 0.00 C ATOM 165 CZ PHE A 43 -1.326 -3.533 -8.345 1.00 0.00 C ATOM 0 H PHE A 43 2.102 -0.176 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 43 2.923 -2.937 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.921 -1.393 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.405 -3.065 -8.223 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.496 -4.442 -6.752 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.806 -1.117 -9.325 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.836 -5.152 -7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.528 -1.827 -9.616 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.352 -3.845 -8.472 1.00 0.00 H new ATOM 175 N LEU A 44 5.047 -1.784 -4.986 1.00 0.00 N ATOM 176 CA LEU A 44 6.461 -1.605 -4.686 1.00 0.00 C ATOM 177 C LEU A 44 7.288 -2.462 -5.638 1.00 0.00 C ATOM 178 O LEU A 44 7.056 -3.660 -5.751 1.00 0.00 O ATOM 179 CB LEU A 44 6.717 -1.981 -3.202 1.00 0.00 C ATOM 180 CG LEU A 44 8.179 -2.172 -2.732 1.00 0.00 C ATOM 181 CD1 LEU A 44 8.654 -3.600 -2.970 1.00 0.00 C ATOM 182 CD2 LEU A 44 9.125 -1.186 -3.403 1.00 0.00 C ATOM 0 H LEU A 44 4.479 -2.032 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 44 6.756 -0.565 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.267 -1.206 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.179 -2.906 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 44 8.193 -1.974 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.684 -3.702 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.019 -4.292 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.599 -3.829 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.141 -1.355 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.093 -1.329 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.820 -0.168 -3.162 1.00 0.00 H new ATOM 194 N ALA A 45 8.212 -1.822 -6.352 1.00 0.00 N ATOM 195 CA ALA A 45 9.144 -2.527 -7.223 1.00 0.00 C ATOM 196 C ALA A 45 9.821 -3.658 -6.450 1.00 0.00 C ATOM 197 O ALA A 45 10.695 -3.410 -5.619 1.00 0.00 O ATOM 198 CB ALA A 45 10.175 -1.546 -7.773 1.00 0.00 C ATOM 0 H ALA A 45 8.334 -0.809 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 45 8.603 -2.964 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.870 -2.076 -8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.668 -0.766 -8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.724 -1.094 -6.947 1.00 0.00 H new ATOM 204 N PRO A 46 9.417 -4.916 -6.712 1.00 0.00 N ATOM 205 CA PRO A 46 9.829 -6.071 -5.907 1.00 0.00 C ATOM 206 C PRO A 46 11.251 -6.522 -6.212 1.00 0.00 C ATOM 207 O PRO A 46 11.487 -7.683 -6.558 1.00 0.00 O ATOM 208 CB PRO A 46 8.819 -7.146 -6.307 1.00 0.00 C ATOM 209 CG PRO A 46 8.456 -6.814 -7.713 1.00 0.00 C ATOM 210 CD PRO A 46 8.532 -5.314 -7.828 1.00 0.00 C ATOM 0 HA PRO A 46 9.837 -5.847 -4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.252 -8.144 -6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.944 -7.130 -5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.140 -7.293 -8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.454 -7.172 -7.950 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.941 -5.007 -8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.547 -4.856 -7.739 1.00 0.00 H new ATOM 218 N SER A 47 12.184 -5.582 -6.080 1.00 0.00 N ATOM 219 CA SER A 47 13.607 -5.811 -6.316 1.00 0.00 C ATOM 220 C SER A 47 13.855 -6.350 -7.727 1.00 0.00 C ATOM 221 O SER A 47 12.937 -6.403 -8.553 1.00 0.00 O ATOM 222 CB SER A 47 14.185 -6.728 -5.226 1.00 0.00 C ATOM 223 OG SER A 47 13.730 -8.067 -5.347 1.00 0.00 O ATOM 0 H SER A 47 11.969 -4.625 -5.802 1.00 0.00 H new ATOM 0 HA SER A 47 14.132 -4.858 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.274 -6.711 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.909 -6.341 -4.245 1.00 0.00 H new ATOM 0 HG SER A 47 13.101 -8.132 -6.096 1.00 0.00 H new ATOM 229 N GLN A 48 15.088 -6.705 -8.027 1.00 0.00 N ATOM 230 CA GLN A 48 15.425 -7.202 -9.333 1.00 0.00 C ATOM 231 C GLN A 48 16.426 -8.338 -9.213 1.00 0.00 C ATOM 232 O GLN A 48 16.009 -9.512 -9.297 1.00 0.00 O ATOM 233 CB GLN A 48 15.999 -6.076 -10.183 1.00 0.00 C ATOM 234 CG GLN A 48 16.294 -6.500 -11.599 1.00 0.00 C ATOM 235 CD GLN A 48 15.037 -6.738 -12.413 1.00 0.00 C ATOM 236 OE1 GLN A 48 14.006 -6.098 -12.192 1.00 0.00 O ATOM 237 NE2 GLN A 48 15.107 -7.659 -13.356 1.00 0.00 N ATOM 238 OXT GLN A 48 17.622 -8.053 -8.997 1.00 0.00 O ATOM 0 H GLN A 48 15.872 -6.656 -7.376 1.00 0.00 H new ATOM 0 HA GLN A 48 14.524 -7.581 -9.816 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.295 -5.244 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.916 -5.710 -9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.897 -5.733 -12.085 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.890 -7.412 -11.584 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.978 -8.167 -13.509 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.290 -7.862 -13.932 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -22.870 16.401 -6.093 1.00 0.00 N ATOM 249 CA ALA B 567 -21.986 15.287 -5.690 1.00 0.00 C ATOM 250 C ALA B 567 -22.798 14.021 -5.462 1.00 0.00 C ATOM 251 O ALA B 567 -23.881 14.065 -4.877 1.00 0.00 O ATOM 252 CB ALA B 567 -21.215 15.645 -4.432 1.00 0.00 C ATOM 0 HA ALA B 567 -21.274 15.108 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -20.570 14.812 -4.151 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -20.606 16.529 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -21.915 15.851 -3.622 1.00 0.00 H new ATOM 258 N PRO B 568 -22.283 12.875 -5.923 1.00 0.00 N ATOM 259 CA PRO B 568 -22.955 11.588 -5.763 1.00 0.00 C ATOM 260 C PRO B 568 -22.833 11.065 -4.332 1.00 0.00 C ATOM 261 O PRO B 568 -21.946 11.483 -3.587 1.00 0.00 O ATOM 262 CB PRO B 568 -22.210 10.681 -6.746 1.00 0.00 C ATOM 263 CG PRO B 568 -20.847 11.267 -6.859 1.00 0.00 C ATOM 264 CD PRO B 568 -20.995 12.748 -6.633 1.00 0.00 C ATOM 0 HA PRO B 568 -24.026 11.644 -5.956 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -22.169 9.655 -6.381 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -22.709 10.655 -7.715 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -20.174 10.828 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -20.419 11.066 -7.841 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -20.171 13.145 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -21.003 13.297 -7.575 1.00 0.00 H new ATOM 272 N PRO B 569 -23.727 10.149 -3.929 1.00 0.00 N ATOM 273 CA PRO B 569 -23.721 9.592 -2.583 1.00 0.00 C ATOM 274 C PRO B 569 -22.552 8.641 -2.383 1.00 0.00 C ATOM 275 O PRO B 569 -22.367 7.698 -3.157 1.00 0.00 O ATOM 276 CB PRO B 569 -25.056 8.851 -2.489 1.00 0.00 C ATOM 277 CG PRO B 569 -25.404 8.504 -3.895 1.00 0.00 C ATOM 278 CD PRO B 569 -24.789 9.569 -4.763 1.00 0.00 C ATOM 0 HA PRO B 569 -23.608 10.357 -1.815 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -24.968 7.957 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -25.824 9.477 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -25.019 7.519 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -26.485 8.470 -4.030 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -24.386 9.148 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -25.524 10.321 -5.051 1.00 0.00 H new ATOM 286 N THR B 570 -21.764 8.914 -1.351 1.00 0.00 N ATOM 287 CA THR B 570 -20.551 8.160 -1.057 1.00 0.00 C ATOM 288 C THR B 570 -19.474 8.457 -2.103 1.00 0.00 C ATOM 289 O THR B 570 -19.764 8.930 -3.206 1.00 0.00 O ATOM 290 CB THR B 570 -20.817 6.646 -0.994 1.00 0.00 C ATOM 291 OG1 THR B 570 -22.063 6.392 -0.329 1.00 0.00 O ATOM 292 CG2 THR B 570 -19.704 5.911 -0.256 1.00 0.00 C ATOM 0 H THR B 570 -21.949 9.669 -0.690 1.00 0.00 H new ATOM 0 HA THR B 570 -20.201 8.478 -0.075 1.00 0.00 H new ATOM 0 HB THR B 570 -20.856 6.279 -2.019 1.00 0.00 H new ATOM 0 HG1 THR B 570 -22.225 5.426 -0.295 1.00 0.00 H new ATOM 0 HG21 THR B 570 -19.926 4.844 -0.232 1.00 0.00 H new ATOM 0 HG22 THR B 570 -18.757 6.073 -0.771 1.00 0.00 H new ATOM 0 HG23 THR B 570 -19.631 6.290 0.763 1.00 0.00 H new ATOM 300 N LEU B 571 -18.234 8.201 -1.744 1.00 0.00 N ATOM 301 CA LEU B 571 -17.109 8.466 -2.603 1.00 0.00 C ATOM 302 C LEU B 571 -16.903 7.322 -3.592 1.00 0.00 C ATOM 303 O LEU B 571 -17.547 6.279 -3.467 1.00 0.00 O ATOM 304 CB LEU B 571 -15.881 8.652 -1.728 1.00 0.00 C ATOM 305 CG LEU B 571 -15.868 9.927 -0.893 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.708 9.906 0.082 1.00 0.00 C ATOM 307 CD2 LEU B 571 -15.776 11.146 -1.795 1.00 0.00 C ATOM 0 H LEU B 571 -17.981 7.800 -0.841 1.00 0.00 H new ATOM 0 HA LEU B 571 -17.289 9.369 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -15.799 7.796 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.996 8.644 -2.364 1.00 0.00 H new ATOM 0 HG LEU B 571 -16.798 9.982 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -14.712 10.823 0.671 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -14.806 9.047 0.746 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -13.771 9.833 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -15.768 12.050 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -14.859 11.096 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -16.635 11.168 -2.465 1.00 0.00 H new ATOM 319 N PRO B 572 -16.023 7.504 -4.598 1.00 0.00 N ATOM 320 CA PRO B 572 -15.734 6.468 -5.590 1.00 0.00 C ATOM 321 C PRO B 572 -15.386 5.124 -4.943 1.00 0.00 C ATOM 322 O PRO B 572 -14.690 5.060 -3.931 1.00 0.00 O ATOM 323 CB PRO B 572 -14.549 7.034 -6.370 1.00 0.00 C ATOM 324 CG PRO B 572 -14.665 8.509 -6.220 1.00 0.00 C ATOM 325 CD PRO B 572 -15.260 8.740 -4.861 1.00 0.00 C ATOM 0 HA PRO B 572 -16.596 6.253 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.602 6.669 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.588 6.739 -7.419 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -13.690 8.988 -6.306 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -15.298 8.932 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -14.488 8.902 -4.108 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.905 9.619 -4.850 1.00 0.00 H new ATOM 333 N PRO B 573 -15.869 4.034 -5.543 1.00 0.00 N ATOM 334 CA PRO B 573 -15.812 2.690 -4.956 1.00 0.00 C ATOM 335 C PRO B 573 -14.454 2.008 -5.098 1.00 0.00 C ATOM 336 O PRO B 573 -14.270 0.882 -4.639 1.00 0.00 O ATOM 337 CB PRO B 573 -16.857 1.941 -5.764 1.00 0.00 C ATOM 338 CG PRO B 573 -16.773 2.568 -7.106 1.00 0.00 C ATOM 339 CD PRO B 573 -16.511 4.022 -6.865 1.00 0.00 C ATOM 0 HA PRO B 573 -15.983 2.716 -3.880 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.642 0.873 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.852 2.049 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.974 2.120 -7.697 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.699 2.425 -7.662 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.862 4.446 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.433 4.603 -6.870 1.00 0.00 H new ATOM 347 N TYR B 574 -13.522 2.671 -5.762 1.00 0.00 N ATOM 348 CA TYR B 574 -12.179 2.111 -5.935 1.00 0.00 C ATOM 349 C TYR B 574 -11.449 1.938 -4.606 1.00 0.00 C ATOM 350 O TYR B 574 -11.392 0.833 -4.067 1.00 0.00 O ATOM 351 CB TYR B 574 -11.347 2.950 -6.901 1.00 0.00 C ATOM 352 CG TYR B 574 -10.041 2.305 -7.323 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.033 1.104 -8.027 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.821 2.892 -7.020 1.00 0.00 C ATOM 355 CE1 TYR B 574 -8.845 0.512 -8.413 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.630 2.306 -7.402 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.647 1.117 -8.097 1.00 0.00 C ATOM 358 OH TYR B 574 -6.459 0.532 -8.472 1.00 0.00 O ATOM 0 H TYR B 574 -13.661 3.587 -6.188 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.309 1.119 -6.367 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.942 3.155 -7.791 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -11.130 3.911 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -10.970 0.627 -8.275 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.802 3.824 -6.475 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -8.855 -0.420 -8.959 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.690 2.778 -7.157 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.711 1.089 -8.172 1.00 0.00 H new ATOM 368 N PHE B 575 -10.865 3.005 -4.093 1.00 0.00 N ATOM 369 CA PHE B 575 -10.145 2.927 -2.834 1.00 0.00 C ATOM 370 C PHE B 575 -10.544 4.080 -1.929 1.00 0.00 C ATOM 371 O PHE B 575 -10.037 4.225 -0.819 1.00 0.00 O ATOM 372 CB PHE B 575 -8.636 2.950 -3.090 1.00 0.00 C ATOM 373 CG PHE B 575 -8.062 4.326 -3.239 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.462 5.155 -4.272 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.135 4.794 -2.325 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.943 6.422 -4.396 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.616 6.065 -2.442 1.00 0.00 C ATOM 378 CZ PHE B 575 -7.022 6.877 -3.480 1.00 0.00 C ATOM 0 H PHE B 575 -10.874 3.929 -4.524 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.402 1.991 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.131 2.444 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.423 2.379 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -9.190 4.803 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.815 4.158 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -8.257 7.059 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -5.894 6.424 -1.724 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.616 7.873 -3.574 1.00 0.00 H new ATOM 388 N MET B 576 -11.455 4.901 -2.424 1.00 0.00 N ATOM 389 CA MET B 576 -11.899 6.085 -1.683 1.00 0.00 C ATOM 390 C MET B 576 -12.673 5.666 -0.434 1.00 0.00 C ATOM 391 O MET B 576 -13.150 4.533 -0.342 1.00 0.00 O ATOM 392 CB MET B 576 -12.776 6.972 -2.567 1.00 0.00 C ATOM 393 CG MET B 576 -12.114 7.395 -3.868 1.00 0.00 C ATOM 394 SD MET B 576 -10.768 8.567 -3.637 1.00 0.00 S ATOM 395 CE MET B 576 -10.361 8.931 -5.345 1.00 0.00 C ATOM 0 H MET B 576 -11.904 4.776 -3.331 1.00 0.00 H new ATOM 0 HA MET B 576 -11.019 6.653 -1.381 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.699 6.439 -2.797 1.00 0.00 H new ATOM 0 HB3 MET B 576 -13.055 7.864 -2.006 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.732 6.510 -4.377 1.00 0.00 H new ATOM 0 HG3 MET B 576 -12.865 7.839 -4.521 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.279 8.999 -5.455 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.742 8.137 -5.987 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.815 9.879 -5.633 1.00 0.00 H new ATOM 405 N LYS B 577 -12.798 6.581 0.521 1.00 0.00 N ATOM 406 CA LYS B 577 -13.435 6.279 1.798 1.00 0.00 C ATOM 407 C LYS B 577 -14.886 5.834 1.608 1.00 0.00 C ATOM 408 O LYS B 577 -15.691 6.537 0.994 1.00 0.00 O ATOM 409 CB LYS B 577 -13.385 7.498 2.718 1.00 0.00 C ATOM 410 CG LYS B 577 -13.735 7.187 4.165 1.00 0.00 C ATOM 411 CD LYS B 577 -13.891 8.462 4.976 1.00 0.00 C ATOM 412 CE LYS B 577 -14.118 8.172 6.450 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.254 9.421 7.243 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.465 7.541 0.434 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.884 5.458 2.255 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.385 7.930 2.680 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.073 8.255 2.342 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.661 6.613 4.203 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -12.956 6.565 4.605 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -12.999 9.077 4.860 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.729 9.040 4.586 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.017 7.567 6.567 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -13.286 7.584 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -14.408 9.182 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.386 9.987 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -15.064 9.970 6.890 1.00 0.00 H new ATOM 427 N GLY B 578 -15.201 4.656 2.133 1.00 0.00 N ATOM 428 CA GLY B 578 -16.552 4.128 2.047 1.00 0.00 C ATOM 429 C GLY B 578 -16.728 3.177 0.888 1.00 0.00 C ATOM 430 O GLY B 578 -17.836 2.705 0.624 1.00 0.00 O ATOM 0 H GLY B 578 -14.540 4.052 2.621 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.797 3.613 2.976 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.256 4.954 1.945 1.00 0.00 H new ATOM 434 N SER B 579 -15.643 2.905 0.183 1.00 0.00 N ATOM 435 CA SER B 579 -15.653 1.856 -0.813 1.00 0.00 C ATOM 436 C SER B 579 -15.522 0.520 -0.101 1.00 0.00 C ATOM 437 O SER B 579 -14.900 0.435 0.962 1.00 0.00 O ATOM 438 CB SER B 579 -14.527 2.057 -1.834 1.00 0.00 C ATOM 439 OG SER B 579 -13.251 1.922 -1.257 1.00 0.00 O ATOM 0 H SER B 579 -14.753 3.393 0.283 1.00 0.00 H new ATOM 0 HA SER B 579 -16.590 1.882 -1.369 1.00 0.00 H new ATOM 0 HB2 SER B 579 -14.637 1.332 -2.640 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.618 3.047 -2.281 1.00 0.00 H new ATOM 0 HG SER B 579 -12.924 2.802 -0.976 1.00 0.00 H new ATOM 445 N ILE B 580 -16.138 -0.513 -0.638 1.00 0.00 N ATOM 446 CA ILE B 580 -16.076 -1.802 0.004 1.00 0.00 C ATOM 447 C ILE B 580 -15.097 -2.700 -0.722 1.00 0.00 C ATOM 448 O ILE B 580 -15.287 -3.057 -1.889 1.00 0.00 O ATOM 449 CB ILE B 580 -17.459 -2.464 0.110 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.381 -1.611 0.994 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.331 -3.874 0.664 1.00 0.00 C ATOM 452 CD1 ILE B 580 -17.788 -1.261 2.351 1.00 0.00 C ATOM 0 H ILE B 580 -16.678 -0.484 -1.503 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.723 -1.648 1.024 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.898 -2.531 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.622 -0.689 0.466 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.318 -2.146 1.146 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.319 -4.329 0.733 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.703 -4.470 0.002 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -16.879 -3.836 1.655 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.500 -0.658 2.915 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -17.573 -2.177 2.901 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -16.866 -0.697 2.211 1.00 0.00 H new ATOM 464 N ILE B 581 -14.037 -3.034 -0.020 1.00 0.00 N ATOM 465 CA ILE B 581 -12.942 -3.776 -0.595 1.00 0.00 C ATOM 466 C ILE B 581 -13.147 -5.265 -0.362 1.00 0.00 C ATOM 467 O ILE B 581 -13.355 -5.703 0.771 1.00 0.00 O ATOM 468 CB ILE B 581 -11.603 -3.320 0.022 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.508 -1.790 0.032 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.433 -3.907 -0.735 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.710 -1.140 -1.320 1.00 0.00 C ATOM 0 H ILE B 581 -13.912 -2.798 0.964 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.912 -3.585 -1.668 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.566 -3.681 1.050 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.252 -1.397 0.725 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.530 -1.502 0.417 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.501 -3.571 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.484 -4.995 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.470 -3.578 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.626 -0.058 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.950 -1.500 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.699 -1.393 -1.701 1.00 0.00 H new ATOM 483 N GLN B 582 -13.114 -6.034 -1.438 1.00 0.00 N ATOM 484 CA GLN B 582 -13.357 -7.462 -1.351 1.00 0.00 C ATOM 485 C GLN B 582 -12.059 -8.242 -1.448 1.00 0.00 C ATOM 486 O GLN B 582 -11.368 -8.206 -2.468 1.00 0.00 O ATOM 487 CB GLN B 582 -14.324 -7.901 -2.443 1.00 0.00 C ATOM 488 CG GLN B 582 -14.468 -9.415 -2.560 1.00 0.00 C ATOM 489 CD GLN B 582 -15.266 -9.841 -3.777 1.00 0.00 C ATOM 490 OE1 GLN B 582 -15.252 -9.176 -4.814 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.973 -10.952 -3.659 1.00 0.00 N ATOM 0 H GLN B 582 -12.922 -5.693 -2.380 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.805 -7.672 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.304 -7.466 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.985 -7.502 -3.399 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.477 -9.866 -2.606 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.952 -9.799 -1.662 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -15.959 -11.475 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.533 -11.286 -4.444 1.00 0.00 H new ATOM 500 N LEU B 583 -11.746 -8.959 -0.384 1.00 0.00 N ATOM 501 CA LEU B 583 -10.513 -9.723 -0.304 1.00 0.00 C ATOM 502 C LEU B 583 -10.658 -11.045 -1.047 1.00 0.00 C ATOM 503 O LEU B 583 -11.767 -11.461 -1.381 1.00 0.00 O ATOM 504 CB LEU B 583 -10.170 -9.961 1.160 1.00 0.00 C ATOM 505 CG LEU B 583 -10.137 -8.700 2.018 1.00 0.00 C ATOM 506 CD1 LEU B 583 -9.884 -9.067 3.467 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.078 -7.729 1.505 1.00 0.00 C ATOM 0 H LEU B 583 -12.336 -9.029 0.445 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.705 -9.163 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.899 -10.653 1.582 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.197 -10.449 1.217 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.104 -8.202 1.952 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.862 -8.161 4.073 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.681 -9.721 3.821 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -8.927 -9.583 3.550 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.070 -6.836 2.130 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.099 -8.206 1.541 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.308 -7.450 0.477 1.00 0.00 H new ATOM 519 N ALA B 584 -9.527 -11.704 -1.301 1.00 0.00 N ATOM 520 CA ALA B 584 -9.507 -12.916 -2.117 1.00 0.00 C ATOM 521 C ALA B 584 -10.234 -14.073 -1.445 1.00 0.00 C ATOM 522 O ALA B 584 -10.616 -15.039 -2.102 1.00 0.00 O ATOM 523 CB ALA B 584 -8.078 -13.321 -2.449 1.00 0.00 C ATOM 0 H ALA B 584 -8.612 -11.417 -0.952 1.00 0.00 H new ATOM 0 HA ALA B 584 -10.036 -12.684 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.088 -14.226 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.591 -12.518 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.530 -13.510 -1.526 1.00 0.00 H new ATOM 529 N ASN B 585 -10.425 -13.972 -0.136 1.00 0.00 N ATOM 530 CA ASN B 585 -11.142 -14.995 0.609 1.00 0.00 C ATOM 531 C ASN B 585 -12.644 -14.758 0.516 1.00 0.00 C ATOM 532 O ASN B 585 -13.442 -15.569 0.984 1.00 0.00 O ATOM 533 CB ASN B 585 -10.695 -15.015 2.073 1.00 0.00 C ATOM 534 CG ASN B 585 -11.002 -13.730 2.813 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.062 -12.655 2.220 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.192 -13.835 4.115 1.00 0.00 N ATOM 0 H ASN B 585 -10.093 -13.192 0.431 1.00 0.00 H new ATOM 0 HA ASN B 585 -10.911 -15.965 0.169 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.184 -15.845 2.583 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.622 -15.202 2.115 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.398 -13.004 4.669 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.133 -14.747 4.567 1.00 0.00 H new ATOM 543 N GLY B 586 -13.019 -13.631 -0.081 1.00 0.00 N ATOM 544 CA GLY B 586 -14.414 -13.357 -0.346 1.00 0.00 C ATOM 545 C GLY B 586 -15.089 -12.537 0.734 1.00 0.00 C ATOM 546 O GLY B 586 -16.316 -12.432 0.749 1.00 0.00 O ATOM 0 H GLY B 586 -12.375 -12.901 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.497 -12.829 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.946 -14.302 -0.458 1.00 0.00 H new ATOM 550 N GLU B 587 -14.316 -11.943 1.636 1.00 0.00 N ATOM 551 CA GLU B 587 -14.916 -11.125 2.679 1.00 0.00 C ATOM 552 C GLU B 587 -14.858 -9.653 2.291 1.00 0.00 C ATOM 553 O GLU B 587 -13.944 -9.222 1.579 1.00 0.00 O ATOM 554 CB GLU B 587 -14.249 -11.362 4.036 1.00 0.00 C ATOM 555 CG GLU B 587 -12.878 -10.748 4.179 1.00 0.00 C ATOM 556 CD GLU B 587 -12.331 -10.912 5.582 1.00 0.00 C ATOM 557 OE1 GLU B 587 -12.847 -10.253 6.510 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.401 -11.722 5.773 1.00 0.00 O ATOM 0 H GLU B 587 -13.299 -12.010 1.667 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.961 -11.419 2.779 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -14.895 -10.962 4.818 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.171 -12.436 4.205 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.196 -11.212 3.467 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.927 -9.688 3.930 1.00 0.00 H new ATOM 565 N LEU B 588 -15.844 -8.895 2.747 1.00 0.00 N ATOM 566 CA LEU B 588 -16.001 -7.509 2.339 1.00 0.00 C ATOM 567 C LEU B 588 -15.786 -6.580 3.523 1.00 0.00 C ATOM 568 O LEU B 588 -16.430 -6.734 4.562 1.00 0.00 O ATOM 569 CB LEU B 588 -17.404 -7.301 1.771 1.00 0.00 C ATOM 570 CG LEU B 588 -17.879 -8.385 0.803 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.242 -8.038 0.239 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.864 -8.588 -0.308 1.00 0.00 C ATOM 0 H LEU B 588 -16.552 -9.221 3.405 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.258 -7.280 1.575 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.109 -7.241 2.600 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.433 -6.340 1.258 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.972 -9.322 1.352 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.562 -8.822 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.962 -7.953 1.053 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.184 -7.090 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.218 -9.363 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -16.734 -7.655 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.910 -8.891 0.122 1.00 0.00 H new ATOM 584 N LYS B 589 -14.883 -5.620 3.377 1.00 0.00 N ATOM 585 CA LYS B 589 -14.546 -4.725 4.470 1.00 0.00 C ATOM 586 C LYS B 589 -14.359 -3.299 3.982 1.00 0.00 C ATOM 587 O LYS B 589 -14.174 -3.048 2.791 1.00 0.00 O ATOM 588 CB LYS B 589 -13.271 -5.207 5.159 1.00 0.00 C ATOM 589 CG LYS B 589 -13.350 -6.649 5.627 1.00 0.00 C ATOM 590 CD LYS B 589 -12.019 -7.175 6.142 1.00 0.00 C ATOM 591 CE LYS B 589 -11.701 -6.676 7.542 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.000 -5.366 7.534 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.372 -5.443 2.512 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.373 -4.733 5.180 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.432 -5.101 4.471 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.064 -4.565 6.015 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.097 -6.730 6.416 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.689 -7.276 4.802 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.038 -8.265 6.143 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.224 -6.871 5.462 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.626 -6.586 8.111 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.082 -7.412 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -11.268 -4.823 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -9.972 -5.522 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.268 -4.834 6.682 1.00 0.00 H new ATOM 606 N LYS B 590 -14.420 -2.372 4.924 1.00 0.00 N ATOM 607 CA LYS B 590 -14.245 -0.964 4.639 1.00 0.00 C ATOM 608 C LYS B 590 -12.769 -0.594 4.507 1.00 0.00 C ATOM 609 O LYS B 590 -11.922 -1.147 5.208 1.00 0.00 O ATOM 610 CB LYS B 590 -14.908 -0.145 5.739 1.00 0.00 C ATOM 611 CG LYS B 590 -16.322 0.310 5.400 1.00 0.00 C ATOM 612 CD LYS B 590 -16.319 1.440 4.374 1.00 0.00 C ATOM 613 CE LYS B 590 -15.311 2.508 4.744 1.00 0.00 C ATOM 614 NZ LYS B 590 -15.530 3.036 6.118 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.593 -2.579 5.908 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.717 -0.742 3.682 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.937 -0.738 6.653 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.294 0.732 5.946 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.893 -0.533 5.011 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.825 0.644 6.308 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.084 1.040 3.388 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -17.314 1.881 4.310 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -14.304 2.096 4.671 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -15.373 3.327 4.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -14.850 3.799 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -16.498 3.407 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -15.395 2.271 6.809 1.00 0.00 H new ATOM 628 N VAL B 591 -12.493 0.344 3.608 1.00 0.00 N ATOM 629 CA VAL B 591 -11.134 0.647 3.148 1.00 0.00 C ATOM 630 C VAL B 591 -10.136 0.883 4.277 1.00 0.00 C ATOM 631 O VAL B 591 -9.049 0.309 4.281 1.00 0.00 O ATOM 632 CB VAL B 591 -11.120 1.908 2.266 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.873 1.934 1.400 1.00 0.00 C ATOM 634 CG2 VAL B 591 -12.376 2.004 1.426 1.00 0.00 C ATOM 0 H VAL B 591 -13.210 0.923 3.171 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.830 -0.240 2.592 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.099 2.781 2.918 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.878 2.832 0.782 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.988 1.936 2.036 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.857 1.053 0.759 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -12.336 2.905 0.814 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -12.449 1.129 0.780 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.248 2.047 2.079 1.00 0.00 H new ATOM 644 N GLU B 592 -10.502 1.718 5.231 1.00 0.00 N ATOM 645 CA GLU B 592 -9.557 2.170 6.239 1.00 0.00 C ATOM 646 C GLU B 592 -9.413 1.145 7.349 1.00 0.00 C ATOM 647 O GLU B 592 -8.363 1.035 7.982 1.00 0.00 O ATOM 648 CB GLU B 592 -9.993 3.507 6.831 1.00 0.00 C ATOM 649 CG GLU B 592 -11.247 3.428 7.681 1.00 0.00 C ATOM 650 CD GLU B 592 -12.517 3.329 6.865 1.00 0.00 C ATOM 651 OE1 GLU B 592 -12.819 2.232 6.361 1.00 0.00 O ATOM 652 OE2 GLU B 592 -13.222 4.350 6.725 1.00 0.00 O1- ATOM 0 H GLU B 592 -11.444 2.097 5.331 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.591 2.296 5.750 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -9.180 3.906 7.438 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.161 4.214 6.019 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -11.178 2.562 8.339 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -11.301 4.310 8.319 1.00 0.00 H new ATOM 659 N ASP B 593 -10.484 0.409 7.591 1.00 0.00 N ATOM 660 CA ASP B 593 -10.504 -0.581 8.656 1.00 0.00 C ATOM 661 C ASP B 593 -9.906 -1.910 8.186 1.00 0.00 C ATOM 662 O ASP B 593 -9.803 -2.867 8.956 1.00 0.00 O ATOM 663 CB ASP B 593 -11.937 -0.764 9.163 1.00 0.00 C ATOM 664 CG ASP B 593 -12.014 -1.568 10.446 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.155 -1.379 11.331 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.958 -2.376 10.583 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.354 0.478 7.063 1.00 0.00 H new ATOM 0 HA ASP B 593 -9.886 -0.224 9.480 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.386 0.215 9.327 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.528 -1.261 8.394 1.00 0.00 H new ATOM 671 N LEU B 594 -9.531 -1.972 6.912 1.00 0.00 N ATOM 672 CA LEU B 594 -8.752 -3.081 6.400 1.00 0.00 C ATOM 673 C LEU B 594 -7.439 -3.194 7.153 1.00 0.00 C ATOM 674 O LEU B 594 -6.756 -2.198 7.402 1.00 0.00 O ATOM 675 CB LEU B 594 -8.464 -2.889 4.914 1.00 0.00 C ATOM 676 CG LEU B 594 -9.681 -2.940 3.998 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.337 -2.354 2.655 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.163 -4.364 3.821 1.00 0.00 C ATOM 0 H LEU B 594 -9.758 -1.261 6.217 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.329 -3.995 6.539 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.969 -1.927 4.779 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.759 -3.657 4.596 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.479 -2.357 4.458 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.212 -2.394 2.006 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.025 -1.317 2.780 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.525 -2.926 2.206 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.032 -4.375 3.163 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.368 -4.965 3.381 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.437 -4.779 4.791 1.00 0.00 H new ATOM 690 N LYS B 595 -7.101 -4.404 7.525 1.00 0.00 N ATOM 691 CA LYS B 595 -5.852 -4.666 8.210 1.00 0.00 C ATOM 692 C LYS B 595 -4.879 -5.355 7.275 1.00 0.00 C ATOM 693 O LYS B 595 -5.278 -5.869 6.234 1.00 0.00 O ATOM 694 CB LYS B 595 -6.080 -5.520 9.457 1.00 0.00 C ATOM 695 CG LYS B 595 -6.930 -4.836 10.515 1.00 0.00 C ATOM 696 CD LYS B 595 -6.295 -3.536 10.979 1.00 0.00 C ATOM 697 CE LYS B 595 -7.165 -2.813 11.991 1.00 0.00 C ATOM 698 NZ LYS B 595 -6.606 -1.483 12.346 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.676 -5.231 7.365 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.429 -3.712 8.524 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.560 -6.454 9.165 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.114 -5.780 9.891 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -7.923 -4.635 10.112 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.061 -5.503 11.367 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.321 -3.745 11.421 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.123 -2.888 10.119 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -8.169 -2.689 11.585 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.258 -3.421 12.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -7.227 -1.019 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -5.658 -1.603 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -6.541 -0.894 11.491 1.00 0.00 H new ATOM 712 N THR B 596 -3.611 -5.363 7.633 1.00 0.00 N ATOM 713 CA THR B 596 -2.602 -5.971 6.791 1.00 0.00 C ATOM 714 C THR B 596 -2.905 -7.456 6.583 1.00 0.00 C ATOM 715 O THR B 596 -2.862 -7.946 5.457 1.00 0.00 O ATOM 716 CB THR B 596 -1.192 -5.767 7.385 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.190 -6.205 6.468 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.026 -6.515 8.690 1.00 0.00 C ATOM 0 H THR B 596 -3.256 -4.957 8.499 1.00 0.00 H new ATOM 0 HA THR B 596 -2.624 -5.480 5.818 1.00 0.00 H new ATOM 0 HB THR B 596 -1.076 -4.700 7.574 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.413 -5.461 6.263 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.022 -6.349 9.079 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.759 -6.155 9.412 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.177 -7.581 8.520 1.00 0.00 H new ATOM 726 N GLU B 597 -3.296 -8.137 7.663 1.00 0.00 N ATOM 727 CA GLU B 597 -3.550 -9.572 7.627 1.00 0.00 C ATOM 728 C GLU B 597 -4.636 -9.918 6.620 1.00 0.00 C ATOM 729 O GLU B 597 -4.650 -11.016 6.060 1.00 0.00 O ATOM 730 CB GLU B 597 -3.934 -10.079 9.010 1.00 0.00 C ATOM 731 CG GLU B 597 -2.821 -9.942 10.033 1.00 0.00 C ATOM 732 CD GLU B 597 -3.165 -10.580 11.360 1.00 0.00 C ATOM 733 OE1 GLU B 597 -2.885 -11.785 11.532 1.00 0.00 O1- ATOM 734 OE2 GLU B 597 -3.708 -9.877 12.237 1.00 0.00 O ATOM 0 H GLU B 597 -3.443 -7.710 8.578 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.630 -10.064 7.312 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -4.809 -9.531 9.360 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.223 -11.127 8.937 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -1.913 -10.399 9.639 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.604 -8.885 10.188 1.00 0.00 H new ATOM 741 N ASP B 598 -5.536 -8.972 6.402 1.00 0.00 N ATOM 742 CA ASP B 598 -6.581 -9.109 5.400 1.00 0.00 C ATOM 743 C ASP B 598 -5.950 -9.398 4.045 1.00 0.00 C ATOM 744 O ASP B 598 -6.320 -10.346 3.345 1.00 0.00 O ATOM 745 CB ASP B 598 -7.402 -7.816 5.312 1.00 0.00 C ATOM 746 CG ASP B 598 -8.086 -7.433 6.613 1.00 0.00 C ATOM 747 OD1 ASP B 598 -7.978 -8.187 7.603 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.725 -6.358 6.655 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.563 -8.090 6.913 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.238 -9.931 5.684 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -6.747 -7.001 5.004 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.158 -7.929 4.535 1.00 0.00 H new ATOM 753 N PHE B 599 -4.973 -8.576 3.700 1.00 0.00 N ATOM 754 CA PHE B 599 -4.254 -8.716 2.450 1.00 0.00 C ATOM 755 C PHE B 599 -3.308 -9.909 2.505 1.00 0.00 C ATOM 756 O PHE B 599 -3.125 -10.600 1.502 1.00 0.00 O ATOM 757 CB PHE B 599 -3.498 -7.429 2.103 1.00 0.00 C ATOM 758 CG PHE B 599 -4.385 -6.354 1.532 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.522 -5.937 2.208 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.092 -5.775 0.307 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.344 -4.962 1.677 1.00 0.00 C ATOM 762 CE2 PHE B 599 -4.912 -4.801 -0.230 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.040 -4.394 0.455 1.00 0.00 C ATOM 0 H PHE B 599 -4.659 -7.796 4.278 1.00 0.00 H new ATOM 0 HA PHE B 599 -4.981 -8.897 1.659 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.010 -7.049 3.000 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.711 -7.660 1.385 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.768 -6.380 3.162 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.212 -6.089 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.224 -4.644 2.217 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.671 -4.358 -1.185 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.683 -3.634 0.036 1.00 0.00 H new ATOM 773 N ILE B 600 -2.712 -10.151 3.678 1.00 0.00 N ATOM 774 CA ILE B 600 -1.871 -11.313 3.883 1.00 0.00 C ATOM 775 C ILE B 600 -2.588 -12.567 3.412 1.00 0.00 C ATOM 776 O ILE B 600 -2.133 -13.253 2.498 1.00 0.00 O ATOM 777 CB ILE B 600 -1.538 -11.470 5.371 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.521 -10.428 5.841 1.00 0.00 C ATOM 779 CG2 ILE B 600 -1.011 -12.870 5.669 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.320 -9.212 4.970 1.00 0.00 C ATOM 0 H ILE B 600 -2.803 -9.549 4.496 1.00 0.00 H new ATOM 0 HA ILE B 600 -0.953 -11.175 3.312 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.467 -11.313 5.919 1.00 0.00 H new ATOM 0 HG12 ILE B 600 -0.822 -10.087 6.832 1.00 0.00 H new ATOM 0 HG13 ILE B 600 0.443 -10.925 5.954 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.783 -12.954 6.731 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.767 -13.608 5.401 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.106 -13.050 5.088 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.427 -8.560 5.423 1.00 0.00 H new ATOM 0 HD12 ILE B 600 0.021 -9.524 3.983 1.00 0.00 H new ATOM 0 HD13 ILE B 600 -1.263 -8.673 4.875 1.00 0.00 H new ATOM 792 N GLN B 601 -3.748 -12.813 4.005 1.00 0.00 N ATOM 793 CA GLN B 601 -4.527 -14.000 3.706 1.00 0.00 C ATOM 794 C GLN B 601 -4.894 -14.072 2.236 1.00 0.00 C ATOM 795 O GLN B 601 -4.685 -15.095 1.602 1.00 0.00 O ATOM 796 CB GLN B 601 -5.803 -14.034 4.545 1.00 0.00 C ATOM 797 CG GLN B 601 -5.572 -14.378 6.002 1.00 0.00 C ATOM 798 CD GLN B 601 -6.851 -14.350 6.814 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.939 -14.604 6.293 1.00 0.00 O ATOM 800 NE2 GLN B 601 -6.732 -14.044 8.096 1.00 0.00 N ATOM 0 H GLN B 601 -4.171 -12.199 4.701 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.905 -14.861 3.952 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.291 -13.061 4.485 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.490 -14.763 4.114 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.123 -15.369 6.071 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.858 -13.674 6.430 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -5.813 -13.840 8.489 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.559 -14.012 8.692 1.00 0.00 H new ATOM 809 N SER B 602 -5.419 -12.979 1.699 1.00 0.00 N ATOM 810 CA SER B 602 -5.935 -12.971 0.336 1.00 0.00 C ATOM 811 C SER B 602 -4.907 -13.508 -0.663 1.00 0.00 C ATOM 812 O SER B 602 -5.216 -14.368 -1.494 1.00 0.00 O ATOM 813 CB SER B 602 -6.365 -11.557 -0.049 1.00 0.00 C ATOM 814 OG SER B 602 -5.292 -10.642 0.023 1.00 0.00 O ATOM 0 H SER B 602 -5.499 -12.086 2.186 1.00 0.00 H new ATOM 0 HA SER B 602 -6.800 -13.633 0.301 1.00 0.00 H new ATOM 0 HB2 SER B 602 -6.769 -11.564 -1.061 1.00 0.00 H new ATOM 0 HB3 SER B 602 -7.167 -11.229 0.612 1.00 0.00 H new ATOM 0 HG SER B 602 -5.077 -10.318 -0.877 1.00 0.00 H new ATOM 820 N ALA B 603 -3.686 -13.017 -0.556 1.00 0.00 N ATOM 821 CA ALA B 603 -2.611 -13.441 -1.444 1.00 0.00 C ATOM 822 C ALA B 603 -2.128 -14.856 -1.121 1.00 0.00 C ATOM 823 O ALA B 603 -1.808 -15.630 -2.021 1.00 0.00 O ATOM 824 CB ALA B 603 -1.455 -12.467 -1.359 1.00 0.00 C ATOM 0 H ALA B 603 -3.410 -12.322 0.138 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.007 -13.452 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.656 -12.791 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.793 -11.474 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.082 -12.433 -0.335 1.00 0.00 H new ATOM 830 N GLU B 604 -2.083 -15.189 0.166 1.00 0.00 N ATOM 831 CA GLU B 604 -1.581 -16.488 0.617 1.00 0.00 C ATOM 832 C GLU B 604 -2.513 -17.620 0.213 1.00 0.00 C ATOM 833 O GLU B 604 -2.066 -18.712 -0.140 1.00 0.00 O ATOM 834 CB GLU B 604 -1.405 -16.474 2.126 1.00 0.00 C ATOM 835 CG GLU B 604 -0.321 -15.520 2.581 1.00 0.00 C ATOM 836 CD GLU B 604 1.077 -16.088 2.433 1.00 0.00 C ATOM 837 OE1 GLU B 604 1.458 -16.471 1.307 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.812 -16.138 3.439 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.389 -14.575 0.920 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.618 -16.663 0.136 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.349 -16.195 2.595 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.164 -17.480 2.469 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.394 -14.597 2.006 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.491 -15.259 3.625 1.00 0.00 H new ATOM 845 N ILE B 605 -3.811 -17.348 0.267 1.00 0.00 N ATOM 846 CA ILE B 605 -4.827 -18.296 -0.176 1.00 0.00 C ATOM 847 C ILE B 605 -4.605 -18.651 -1.647 1.00 0.00 C ATOM 848 O ILE B 605 -4.995 -19.725 -2.113 1.00 0.00 O ATOM 849 CB ILE B 605 -6.240 -17.713 0.059 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.418 -17.442 1.554 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.325 -18.653 -0.449 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.670 -16.673 1.905 1.00 0.00 C ATOM 0 H ILE B 605 -4.189 -16.468 0.618 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.744 -19.213 0.408 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.337 -16.783 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.431 -18.394 2.084 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.552 -16.887 1.916 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.304 -18.210 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.194 -18.816 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.255 -19.606 0.075 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.716 -16.526 2.984 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.653 -15.704 1.407 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.545 -17.234 1.578 1.00 0.00 H new ATOM 864 N SER B 606 -3.959 -17.721 -2.354 1.00 0.00 N ATOM 865 CA SER B 606 -3.405 -17.959 -3.684 1.00 0.00 C ATOM 866 C SER B 606 -4.468 -18.026 -4.772 1.00 0.00 C ATOM 867 O SER B 606 -5.639 -18.297 -4.507 1.00 0.00 O ATOM 868 CB SER B 606 -2.555 -19.232 -3.690 1.00 0.00 C ATOM 869 OG SER B 606 -1.488 -19.128 -2.761 1.00 0.00 O ATOM 0 H SER B 606 -3.805 -16.772 -2.013 1.00 0.00 H new ATOM 0 HA SER B 606 -2.775 -17.100 -3.916 1.00 0.00 H new ATOM 0 HB2 SER B 606 -3.177 -20.092 -3.442 1.00 0.00 H new ATOM 0 HB3 SER B 606 -2.157 -19.405 -4.690 1.00 0.00 H new ATOM 0 HG SER B 606 -1.851 -19.026 -1.856 1.00 0.00 H new ATOM 875 N ASN B 607 -4.022 -17.756 -5.992 1.00 0.00 N ATOM 876 CA ASN B 607 -4.857 -17.771 -7.189 1.00 0.00 C ATOM 877 C ASN B 607 -4.026 -17.232 -8.342 1.00 0.00 C ATOM 878 O ASN B 607 -3.762 -17.924 -9.320 1.00 0.00 O ATOM 879 CB ASN B 607 -6.112 -16.902 -7.013 1.00 0.00 C ATOM 880 CG ASN B 607 -7.056 -16.998 -8.197 1.00 0.00 C ATOM 881 OD1 ASN B 607 -7.141 -18.032 -8.858 1.00 0.00 O ATOM 882 ND2 ASN B 607 -7.769 -15.918 -8.478 1.00 0.00 N ATOM 0 H ASN B 607 -3.049 -17.515 -6.182 1.00 0.00 H new ATOM 0 HA ASN B 607 -5.188 -18.791 -7.382 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -6.637 -17.207 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -5.814 -15.863 -6.873 1.00 0.00 H new ATOM 0 HD21 ASN B 607 -8.416 -15.925 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -7.671 -15.079 -7.906 1.00 0.00 H new ATOM 889 N ASP B 608 -3.606 -15.986 -8.177 1.00 0.00 N ATOM 890 CA ASP B 608 -2.726 -15.289 -9.111 1.00 0.00 C ATOM 891 C ASP B 608 -2.034 -14.171 -8.348 1.00 0.00 C ATOM 892 O ASP B 608 -1.764 -13.101 -8.885 1.00 0.00 O ATOM 893 CB ASP B 608 -3.523 -14.688 -10.278 1.00 0.00 C ATOM 894 CG ASP B 608 -3.931 -15.706 -11.327 1.00 0.00 C ATOM 895 OD1 ASP B 608 -3.043 -16.231 -12.037 1.00 0.00 O1- ATOM 896 OD2 ASP B 608 -5.146 -15.977 -11.458 1.00 0.00 O ATOM 0 H ASP B 608 -3.872 -15.417 -7.373 1.00 0.00 H new ATOM 0 HA ASP B 608 -2.004 -15.993 -9.525 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -4.418 -14.206 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -2.925 -13.910 -10.753 1.00 0.00 H new ATOM 901 N LEU B 609 -1.757 -14.433 -7.076 1.00 0.00 N ATOM 902 CA LEU B 609 -1.397 -13.378 -6.140 1.00 0.00 C ATOM 903 C LEU B 609 -0.250 -13.810 -5.231 1.00 0.00 C ATOM 904 O LEU B 609 0.009 -15.005 -5.082 1.00 0.00 O ATOM 905 CB LEU B 609 -2.614 -13.066 -5.269 1.00 0.00 C ATOM 906 CG LEU B 609 -3.947 -13.017 -6.017 1.00 0.00 C ATOM 907 CD1 LEU B 609 -5.049 -13.667 -5.198 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.311 -11.585 -6.368 1.00 0.00 C ATOM 0 H LEU B 609 -1.775 -15.369 -6.670 1.00 0.00 H new ATOM 0 HA LEU B 609 -1.080 -12.504 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.683 -13.818 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.454 -12.106 -4.778 1.00 0.00 H new ATOM 0 HG LEU B 609 -3.838 -13.579 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -5.988 -13.621 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -4.793 -14.709 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -5.158 -13.139 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.262 -11.571 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.397 -10.997 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -3.535 -11.157 -7.002 1.00 0.00 H new ATOM 920 N LYS B 610 0.437 -12.836 -4.636 1.00 0.00 N ATOM 921 CA LYS B 610 1.384 -13.109 -3.557 1.00 0.00 C ATOM 922 C LYS B 610 1.820 -11.819 -2.861 1.00 0.00 C ATOM 923 O LYS B 610 1.977 -10.774 -3.499 1.00 0.00 O ATOM 924 CB LYS B 610 2.605 -13.881 -4.068 1.00 0.00 C ATOM 925 CG LYS B 610 3.320 -13.223 -5.233 1.00 0.00 C ATOM 926 CD LYS B 610 4.419 -14.112 -5.802 1.00 0.00 C ATOM 927 CE LYS B 610 3.871 -15.217 -6.703 1.00 0.00 C ATOM 928 NZ LYS B 610 3.027 -16.205 -5.974 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.355 -11.850 -4.884 1.00 0.00 H new ATOM 0 HA LYS B 610 0.870 -13.733 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.311 -14.004 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.288 -14.880 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.599 -12.991 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.751 -12.277 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS B 610 5.120 -13.499 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.979 -14.561 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS B 610 3.283 -14.767 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS B 610 4.704 -15.738 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 3.116 -17.138 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 3.342 -16.268 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 2.033 -15.900 -6.002 1.00 0.00 H new ATOM 942 N ILE B 611 1.976 -11.907 -1.542 1.00 0.00 N ATOM 943 CA ILE B 611 2.454 -10.793 -0.729 1.00 0.00 C ATOM 944 C ILE B 611 3.979 -10.760 -0.740 1.00 0.00 C ATOM 945 O ILE B 611 4.630 -11.802 -0.848 1.00 0.00 O ATOM 946 CB ILE B 611 1.967 -10.922 0.733 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.441 -10.809 0.814 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.624 -9.887 1.632 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.088 -9.400 1.011 1.00 0.00 C ATOM 0 H ILE B 611 1.775 -12.752 -1.008 1.00 0.00 H new ATOM 0 HA ILE B 611 2.055 -9.872 -1.155 1.00 0.00 H new ATOM 0 HB ILE B 611 2.260 -11.910 1.088 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.012 -11.217 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.089 -11.432 1.636 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.259 -10.007 2.652 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.705 -10.024 1.615 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.380 -8.887 1.274 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.177 -9.423 1.056 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.305 -8.991 1.942 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.227 -8.773 0.177 1.00 0.00 H new ATOM 961 N ASP B 612 4.535 -9.573 -0.617 1.00 0.00 N ATOM 962 CA ASP B 612 5.980 -9.404 -0.578 1.00 0.00 C ATOM 963 C ASP B 612 6.368 -8.620 0.667 1.00 0.00 C ATOM 964 O ASP B 612 5.532 -7.932 1.259 1.00 0.00 O ATOM 965 CB ASP B 612 6.471 -8.658 -1.817 1.00 0.00 C ATOM 966 CG ASP B 612 7.925 -8.939 -2.142 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.813 -8.394 -1.455 1.00 0.00 O ATOM 968 OD2 ASP B 612 8.183 -9.707 -3.092 1.00 0.00 O1- ATOM 0 H ASP B 612 4.008 -8.703 -0.542 1.00 0.00 H new ATOM 0 HA ASP B 612 6.443 -10.391 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP B 612 5.853 -8.937 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.339 -7.587 -1.665 1.00 0.00 H new ATOM 973 N SER B 613 7.627 -8.714 1.051 1.00 0.00 N ATOM 974 CA SER B 613 8.126 -7.994 2.205 1.00 0.00 C ATOM 975 C SER B 613 9.413 -7.244 1.859 1.00 0.00 C ATOM 976 O SER B 613 10.446 -7.850 1.563 1.00 0.00 O ATOM 977 CB SER B 613 8.349 -8.961 3.372 1.00 0.00 C ATOM 978 OG SER B 613 9.120 -10.087 2.974 1.00 0.00 O ATOM 0 H SER B 613 8.326 -9.286 0.577 1.00 0.00 H new ATOM 0 HA SER B 613 7.383 -7.256 2.507 1.00 0.00 H new ATOM 0 HB2 SER B 613 8.855 -8.441 4.185 1.00 0.00 H new ATOM 0 HB3 SER B 613 7.386 -9.296 3.758 1.00 0.00 H new ATOM 0 HG SER B 613 9.815 -9.802 2.345 1.00 0.00 H new ATOM 984 N SER B 614 9.331 -5.920 1.859 1.00 0.00 N ATOM 985 CA SER B 614 10.496 -5.078 1.618 1.00 0.00 C ATOM 986 C SER B 614 10.528 -3.937 2.642 1.00 0.00 C ATOM 987 O SER B 614 9.619 -3.107 2.685 1.00 0.00 O ATOM 988 CB SER B 614 10.463 -4.541 0.184 1.00 0.00 C ATOM 989 OG SER B 614 10.168 -5.578 -0.736 1.00 0.00 O ATOM 0 H SER B 614 8.467 -5.404 2.024 1.00 0.00 H new ATOM 0 HA SER B 614 11.406 -5.666 1.735 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.714 -3.753 0.103 1.00 0.00 H new ATOM 0 HB3 SER B 614 11.425 -4.092 -0.063 1.00 0.00 H new ATOM 0 HG SER B 614 9.220 -5.537 -0.982 1.00 0.00 H new ATOM 995 N THR B 615 11.559 -3.915 3.484 1.00 0.00 N ATOM 996 CA THR B 615 11.628 -2.964 4.592 1.00 0.00 C ATOM 997 C THR B 615 12.248 -1.639 4.175 1.00 0.00 C ATOM 998 O THR B 615 13.413 -1.591 3.799 1.00 0.00 O ATOM 999 CB THR B 615 12.434 -3.539 5.772 1.00 0.00 C ATOM 1000 OG1 THR B 615 11.860 -4.783 6.194 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.456 -2.558 6.941 1.00 0.00 C ATOM 0 H THR B 615 12.359 -4.545 3.420 1.00 0.00 H new ATOM 0 HA THR B 615 10.598 -2.786 4.902 1.00 0.00 H new ATOM 0 HB THR B 615 13.459 -3.706 5.440 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.378 -5.145 6.943 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.031 -2.985 7.763 1.00 0.00 H new ATOM 0 HG22 THR B 615 12.917 -1.623 6.623 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.436 -2.365 7.273 1.00 0.00 H new ATOM 1009 N VAL B 616 11.466 -0.567 4.241 1.00 0.00 N ATOM 1010 CA VAL B 616 11.991 0.762 3.987 1.00 0.00 C ATOM 1011 C VAL B 616 13.142 1.082 4.935 1.00 0.00 C ATOM 1012 O VAL B 616 12.962 1.214 6.147 1.00 0.00 O ATOM 1013 CB VAL B 616 10.895 1.850 4.079 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.958 1.611 5.245 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.521 3.231 4.185 1.00 0.00 C ATOM 0 H VAL B 616 10.472 -0.596 4.467 1.00 0.00 H new ATOM 0 HA VAL B 616 12.368 0.765 2.964 1.00 0.00 H new ATOM 0 HB VAL B 616 10.306 1.794 3.163 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.204 2.398 5.273 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.469 0.644 5.127 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.526 1.619 6.176 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.735 3.983 4.249 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.144 3.281 5.078 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.134 3.421 3.304 1.00 0.00 H new ATOM 1025 N GLU B 617 14.329 1.161 4.365 1.00 0.00 N ATOM 1026 CA GLU B 617 15.528 1.496 5.094 1.00 0.00 C ATOM 1027 C GLU B 617 15.758 2.995 5.099 1.00 0.00 C ATOM 1028 O GLU B 617 16.484 3.519 5.948 1.00 0.00 O ATOM 1029 CB GLU B 617 16.711 0.799 4.452 1.00 0.00 C ATOM 1030 CG GLU B 617 16.605 -0.708 4.497 1.00 0.00 C ATOM 1031 CD GLU B 617 16.964 -1.272 5.854 1.00 0.00 C ATOM 1032 OE1 GLU B 617 16.070 -1.370 6.718 1.00 0.00 O1- ATOM 1033 OE2 GLU B 617 18.146 -1.607 6.069 1.00 0.00 O ATOM 0 H GLU B 617 14.485 0.992 3.371 1.00 0.00 H new ATOM 0 HA GLU B 617 15.415 1.165 6.127 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.796 1.121 3.414 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.626 1.109 4.957 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.588 -1.006 4.240 1.00 0.00 H new ATOM 0 HG3 GLU B 617 17.263 -1.138 3.742 1.00 0.00 H new ATOM 1040 N ARG B 618 15.148 3.685 4.146 1.00 0.00 N ATOM 1041 CA ARG B 618 15.358 5.111 4.010 1.00 0.00 C ATOM 1042 C ARG B 618 14.252 5.738 3.179 1.00 0.00 C ATOM 1043 O ARG B 618 13.673 5.091 2.306 1.00 0.00 O ATOM 1044 CB ARG B 618 16.721 5.375 3.365 1.00 0.00 C ATOM 1045 CG ARG B 618 17.105 6.842 3.315 1.00 0.00 C ATOM 1046 CD ARG B 618 18.434 7.048 2.612 1.00 0.00 C ATOM 1047 NE ARG B 618 18.912 8.423 2.741 1.00 0.00 N ATOM 1048 CZ ARG B 618 19.733 9.012 1.874 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.132 8.365 0.785 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 20.147 10.253 2.092 1.00 0.00 N ATOM 0 H ARG B 618 14.509 3.280 3.462 1.00 0.00 H new ATOM 0 HA ARG B 618 15.339 5.564 5.001 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.485 4.828 3.918 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.715 4.977 2.350 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.328 7.405 2.798 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.164 7.238 4.329 1.00 0.00 H new ATOM 0 HD2 ARG B 618 19.175 6.366 3.029 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.329 6.798 1.556 1.00 0.00 H new ATOM 0 HE ARG B 618 18.597 8.965 3.545 1.00 0.00 H new ATOM 0 HH11 ARG B 618 19.809 7.413 0.610 1.00 0.00 H new ATOM 0 HH12 ARG B 618 20.761 8.820 0.123 1.00 0.00 H new ATOM 0 HH21 ARG B 618 19.836 10.756 2.923 1.00 0.00 H new ATOM 0 HH22 ARG B 618 20.776 10.705 1.428 1.00 0.00 H new ATOM 1064 N ILE B 619 13.949 6.988 3.472 1.00 0.00 N ATOM 1065 CA ILE B 619 12.951 7.737 2.736 1.00 0.00 C ATOM 1066 C ILE B 619 13.540 9.060 2.283 1.00 0.00 C ATOM 1067 O ILE B 619 14.045 9.836 3.098 1.00 0.00 O ATOM 1068 CB ILE B 619 11.698 7.978 3.601 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.981 6.653 3.840 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.762 8.989 2.942 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.896 6.728 4.888 1.00 0.00 C ATOM 0 H ILE B 619 14.389 7.513 4.228 1.00 0.00 H new ATOM 0 HA ILE B 619 12.652 7.158 1.863 1.00 0.00 H new ATOM 0 HB ILE B 619 12.008 8.394 4.560 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.544 6.313 2.901 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.713 5.904 4.141 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.887 9.140 3.574 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.284 9.937 2.812 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.447 8.612 1.969 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.432 5.748 5.002 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.330 7.037 5.839 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.142 7.453 4.580 1.00 0.00 H new ATOM 1083 N GLU B 620 13.494 9.309 0.986 1.00 0.00 N ATOM 1084 CA GLU B 620 14.078 10.517 0.435 1.00 0.00 C ATOM 1085 C GLU B 620 13.009 11.368 -0.223 1.00 0.00 C ATOM 1086 O GLU B 620 12.179 10.867 -0.985 1.00 0.00 O ATOM 1087 CB GLU B 620 15.164 10.189 -0.589 1.00 0.00 C ATOM 1088 CG GLU B 620 16.187 9.178 -0.104 1.00 0.00 C ATOM 1089 CD GLU B 620 17.391 9.089 -1.019 1.00 0.00 C ATOM 1090 OE1 GLU B 620 18.097 10.110 -1.177 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 17.636 8.005 -1.587 1.00 0.00 O ATOM 0 H GLU B 620 13.060 8.693 0.298 1.00 0.00 H new ATOM 0 HA GLU B 620 14.529 11.070 1.259 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.692 9.807 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.680 11.109 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.516 9.451 0.899 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.717 8.197 -0.030 1.00 0.00 H new ATOM 1098 N ASP B 621 13.024 12.651 0.076 1.00 0.00 N ATOM 1099 CA ASP B 621 12.098 13.575 -0.547 1.00 0.00 C ATOM 1100 C ASP B 621 12.638 13.998 -1.901 1.00 0.00 C ATOM 1101 O ASP B 621 13.801 14.390 -2.031 1.00 0.00 O ATOM 1102 CB ASP B 621 11.847 14.801 0.339 1.00 0.00 C ATOM 1103 CG ASP B 621 13.071 15.681 0.513 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.948 15.333 1.331 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 13.159 16.728 -0.161 1.00 0.00 O ATOM 0 H ASP B 621 13.666 13.077 0.745 1.00 0.00 H new ATOM 0 HA ASP B 621 11.142 13.068 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP B 621 11.041 15.394 -0.094 1.00 0.00 H new ATOM 0 HB3 ASP B 621 11.506 14.468 1.319 1.00 0.00 H new ATOM 1110 N SER B 622 11.812 13.872 -2.916 1.00 0.00 N ATOM 1111 CA SER B 622 12.178 14.269 -4.246 1.00 0.00 C ATOM 1112 C SER B 622 11.673 15.676 -4.529 1.00 0.00 C ATOM 1113 O SER B 622 10.605 16.068 -4.052 1.00 0.00 O ATOM 1114 CB SER B 622 11.603 13.258 -5.232 1.00 0.00 C ATOM 1115 OG SER B 622 12.450 12.130 -5.362 1.00 0.00 O ATOM 0 H SER B 622 10.869 13.491 -2.837 1.00 0.00 H new ATOM 0 HA SER B 622 13.263 14.286 -4.352 1.00 0.00 H new ATOM 0 HB2 SER B 622 10.617 12.939 -4.896 1.00 0.00 H new ATOM 0 HB3 SER B 622 11.470 13.730 -6.205 1.00 0.00 H new ATOM 0 HG SER B 622 12.057 11.497 -5.999 1.00 0.00 H new ATOM 1121 N HIS B 623 12.449 16.441 -5.285 1.00 0.00 N ATOM 1122 CA HIS B 623 12.095 17.821 -5.591 1.00 0.00 C ATOM 1123 C HIS B 623 11.079 17.855 -6.720 1.00 0.00 C ATOM 1124 O HIS B 623 11.314 18.398 -7.798 1.00 0.00 O ATOM 1125 CB HIS B 623 13.333 18.619 -5.966 1.00 0.00 C ATOM 1126 CG HIS B 623 13.163 20.096 -5.791 1.00 0.00 C ATOM 1127 ND1 HIS B 623 13.462 20.747 -4.615 1.00 0.00 N ATOM 1128 CD2 HIS B 623 12.715 21.047 -6.641 1.00 0.00 C ATOM 1129 CE1 HIS B 623 13.205 22.032 -4.748 1.00 0.00 C ATOM 1130 NE2 HIS B 623 12.752 22.240 -5.968 1.00 0.00 N ATOM 0 H HIS B 623 13.328 16.129 -5.698 1.00 0.00 H new ATOM 0 HA HIS B 623 11.653 18.275 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS B 623 14.172 18.282 -5.357 1.00 0.00 H new ATOM 0 HB3 HIS B 623 13.590 18.411 -7.005 1.00 0.00 H new ATOM 0 HD2 HIS B 623 12.389 20.895 -7.659 1.00 0.00 H new ATOM 0 HE1 HIS B 623 13.342 22.786 -3.987 1.00 0.00 H new ATOM 0 HE2 HIS B 623 12.474 23.144 -6.350 1.00 0.00 H new ATOM 1139 N SER B 624 9.962 17.234 -6.446 1.00 0.00 N ATOM 1140 CA SER B 624 8.854 17.139 -7.368 1.00 0.00 C ATOM 1141 C SER B 624 7.559 17.151 -6.568 1.00 0.00 C ATOM 1142 O SER B 624 7.534 16.672 -5.430 1.00 0.00 O ATOM 1143 CB SER B 624 8.979 15.854 -8.187 1.00 0.00 C ATOM 1144 OG SER B 624 10.189 15.840 -8.930 1.00 0.00 O ATOM 0 H SER B 624 9.790 16.768 -5.555 1.00 0.00 H new ATOM 0 HA SER B 624 8.856 17.982 -8.059 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.946 14.990 -7.523 1.00 0.00 H new ATOM 0 HB3 SER B 624 8.130 15.767 -8.865 1.00 0.00 H new ATOM 0 HG SER B 624 10.247 15.008 -9.444 1.00 0.00 H new ATOM 1150 N PRO B 625 6.485 17.732 -7.132 1.00 0.00 N ATOM 1151 CA PRO B 625 5.198 17.877 -6.444 1.00 0.00 C ATOM 1152 C PRO B 625 4.722 16.599 -5.782 1.00 0.00 C ATOM 1153 O PRO B 625 4.330 15.642 -6.450 1.00 0.00 O ATOM 1154 CB PRO B 625 4.237 18.277 -7.555 1.00 0.00 C ATOM 1155 CG PRO B 625 5.086 18.933 -8.589 1.00 0.00 C ATOM 1156 CD PRO B 625 6.452 18.310 -8.488 1.00 0.00 C ATOM 0 HA PRO B 625 5.270 18.601 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.722 17.407 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.470 18.958 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.666 18.786 -9.584 1.00 0.00 H new ATOM 0 HG3 PRO B 625 5.138 20.009 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.599 17.545 -9.251 1.00 0.00 H new ATOM 0 HD3 PRO B 625 7.239 19.051 -8.624 1.00 0.00 H new ATOM 1164 N GLY B 626 4.751 16.619 -4.458 1.00 0.00 N ATOM 1165 CA GLY B 626 4.291 15.503 -3.665 1.00 0.00 C ATOM 1166 C GLY B 626 5.004 14.208 -3.982 1.00 0.00 C ATOM 1167 O GLY B 626 4.389 13.153 -3.963 1.00 0.00 O ATOM 0 H GLY B 626 5.094 17.408 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.428 15.736 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.221 15.369 -3.825 1.00 0.00 H new ATOM 1171 N VAL B 627 6.292 14.274 -4.281 1.00 0.00 N ATOM 1172 CA VAL B 627 7.032 13.064 -4.615 1.00 0.00 C ATOM 1173 C VAL B 627 8.042 12.698 -3.537 1.00 0.00 C ATOM 1174 O VAL B 627 8.806 13.543 -3.060 1.00 0.00 O ATOM 1175 CB VAL B 627 7.756 13.188 -5.971 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.420 11.872 -6.355 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.777 13.620 -7.042 1.00 0.00 C ATOM 0 H VAL B 627 6.840 15.134 -4.300 1.00 0.00 H new ATOM 0 HA VAL B 627 6.290 12.269 -4.684 1.00 0.00 H new ATOM 0 HB VAL B 627 8.536 13.944 -5.879 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.924 11.985 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.149 11.596 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.663 11.092 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.296 13.705 -7.997 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.981 12.880 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.348 14.586 -6.775 1.00 0.00 H new ATOM 1187 N ALA B 628 8.025 11.433 -3.154 1.00 0.00 N ATOM 1188 CA ALA B 628 9.005 10.882 -2.240 1.00 0.00 C ATOM 1189 C ALA B 628 9.372 9.480 -2.681 1.00 0.00 C ATOM 1190 O ALA B 628 8.504 8.682 -3.035 1.00 0.00 O ATOM 1191 CB ALA B 628 8.483 10.862 -0.811 1.00 0.00 C ATOM 0 H ALA B 628 7.328 10.759 -3.470 1.00 0.00 H new ATOM 0 HA ALA B 628 9.890 11.518 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.243 10.443 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.249 11.879 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.582 10.250 -0.761 1.00 0.00 H new ATOM 1197 N VAL B 629 10.654 9.191 -2.679 1.00 0.00 N ATOM 1198 CA VAL B 629 11.127 7.877 -3.051 1.00 0.00 C ATOM 1199 C VAL B 629 11.481 7.081 -1.811 1.00 0.00 C ATOM 1200 O VAL B 629 12.289 7.508 -0.981 1.00 0.00 O ATOM 1201 CB VAL B 629 12.321 7.946 -4.029 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.156 9.180 -3.753 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.175 6.682 -3.956 1.00 0.00 C ATOM 0 H VAL B 629 11.389 9.850 -2.423 1.00 0.00 H new ATOM 0 HA VAL B 629 10.320 7.368 -3.577 1.00 0.00 H new ATOM 0 HB VAL B 629 11.925 8.014 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL B 629 13.994 9.216 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.541 10.071 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.535 9.142 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.006 6.763 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.563 6.563 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.566 5.816 -4.215 1.00 0.00 H new ATOM 1213 N ILE B 630 10.837 5.940 -1.676 1.00 0.00 N ATOM 1214 CA ILE B 630 11.046 5.083 -0.540 1.00 0.00 C ATOM 1215 C ILE B 630 12.057 4.002 -0.894 1.00 0.00 C ATOM 1216 O ILE B 630 11.885 3.284 -1.880 1.00 0.00 O ATOM 1217 CB ILE B 630 9.730 4.423 -0.094 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.569 5.418 -0.136 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.887 3.863 1.305 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.693 6.543 0.862 1.00 0.00 C ATOM 0 H ILE B 630 10.158 5.587 -2.350 1.00 0.00 H new ATOM 0 HA ILE B 630 11.423 5.692 0.281 1.00 0.00 H new ATOM 0 HB ILE B 630 9.502 3.612 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.501 5.840 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.637 4.883 0.048 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.953 3.396 1.617 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.684 3.119 1.312 1.00 0.00 H new ATOM 0 HG23 ILE B 630 10.137 4.670 1.994 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.833 7.206 0.771 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.729 6.132 1.871 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.606 7.104 0.666 1.00 0.00 H new ATOM 1232 N GLN B 631 13.120 3.906 -0.113 1.00 0.00 N ATOM 1233 CA GLN B 631 14.148 2.907 -0.349 1.00 0.00 C ATOM 1234 C GLN B 631 13.885 1.678 0.509 1.00 0.00 C ATOM 1235 O GLN B 631 14.018 1.725 1.732 1.00 0.00 O ATOM 1236 CB GLN B 631 15.530 3.488 -0.047 1.00 0.00 C ATOM 1237 CG GLN B 631 16.673 2.537 -0.362 1.00 0.00 C ATOM 1238 CD GLN B 631 18.033 3.174 -0.152 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.204 4.032 0.712 1.00 0.00 O ATOM 1240 NE2 GLN B 631 19.008 2.768 -0.949 1.00 0.00 N ATOM 0 H GLN B 631 13.293 4.509 0.691 1.00 0.00 H new ATOM 0 HA GLN B 631 14.122 2.612 -1.398 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.663 4.405 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.577 3.762 1.007 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.589 1.652 0.268 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.588 2.202 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.826 2.054 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.941 3.169 -0.858 1.00 0.00 H new ATOM 1249 N PHE B 632 13.508 0.587 -0.142 1.00 0.00 N ATOM 1250 CA PHE B 632 13.144 -0.648 0.544 1.00 0.00 C ATOM 1251 C PHE B 632 14.214 -1.711 0.382 1.00 0.00 C ATOM 1252 O PHE B 632 14.729 -1.914 -0.704 1.00 0.00 O ATOM 1253 CB PHE B 632 11.843 -1.220 -0.020 1.00 0.00 C ATOM 1254 CG PHE B 632 10.630 -0.361 0.157 1.00 0.00 C ATOM 1255 CD1 PHE B 632 9.908 -0.400 1.333 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.188 0.454 -0.869 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.768 0.359 1.485 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.050 1.219 -0.724 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.337 1.169 0.455 1.00 0.00 C ATOM 0 H PHE B 632 13.445 0.531 -1.159 1.00 0.00 H new ATOM 0 HA PHE B 632 13.028 -0.394 1.598 1.00 0.00 H new ATOM 0 HB2 PHE B 632 11.981 -1.408 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.656 -2.184 0.453 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.240 -1.032 2.143 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.741 0.492 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.212 0.320 2.410 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.718 1.855 -1.531 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.443 1.763 0.572 1.00 0.00 H new ATOM 1269 N ALA B 633 14.530 -2.387 1.464 1.00 0.00 N ATOM 1270 CA ALA B 633 15.353 -3.577 1.409 1.00 0.00 C ATOM 1271 C ALA B 633 14.453 -4.780 1.177 1.00 0.00 C ATOM 1272 O ALA B 633 13.829 -5.291 2.107 1.00 0.00 O ATOM 1273 CB ALA B 633 16.141 -3.734 2.694 1.00 0.00 C ATOM 0 H ALA B 633 14.226 -2.130 2.403 1.00 0.00 H new ATOM 0 HA ALA B 633 16.068 -3.495 0.590 1.00 0.00 H new ATOM 0 HB1 ALA B 633 16.755 -4.633 2.637 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.783 -2.865 2.836 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.453 -3.817 3.535 1.00 0.00 H new ATOM 1279 N VAL B 634 14.373 -5.208 -0.068 1.00 0.00 N ATOM 1280 CA VAL B 634 13.443 -6.250 -0.464 1.00 0.00 C ATOM 1281 C VAL B 634 13.942 -7.631 -0.070 1.00 0.00 C ATOM 1282 O VAL B 634 15.088 -7.998 -0.348 1.00 0.00 O ATOM 1283 CB VAL B 634 13.195 -6.223 -1.982 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.205 -7.305 -2.391 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.705 -4.849 -2.416 1.00 0.00 C ATOM 0 H VAL B 634 14.947 -4.846 -0.830 1.00 0.00 H new ATOM 0 HA VAL B 634 12.509 -6.050 0.062 1.00 0.00 H new ATOM 0 HB VAL B 634 14.140 -6.426 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.047 -7.265 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL B 634 12.602 -8.283 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.257 -7.143 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.534 -4.847 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.773 -4.615 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.456 -4.099 -2.166 1.00 0.00 H new ATOM 1295 N GLY B 635 13.073 -8.380 0.590 1.00 0.00 N ATOM 1296 CA GLY B 635 13.367 -9.754 0.912 1.00 0.00 C ATOM 1297 C GLY B 635 14.295 -9.898 2.092 1.00 0.00 C ATOM 1298 O GLY B 635 14.739 -8.911 2.681 1.00 0.00 O ATOM 0 H GLY B 635 12.161 -8.054 0.910 1.00 0.00 H new ATOM 0 HA2 GLY B 635 12.435 -10.279 1.123 1.00 0.00 H new ATOM 0 HA3 GLY B 635 13.815 -10.237 0.044 1.00 0.00 H new ATOM 1302 N GLU B 636 14.591 -11.139 2.421 1.00 0.00 N ATOM 1303 CA GLU B 636 15.476 -11.465 3.521 1.00 0.00 C ATOM 1304 C GLU B 636 16.921 -11.144 3.156 1.00 0.00 C ATOM 1305 O GLU B 636 17.769 -10.961 4.026 1.00 0.00 O ATOM 1306 CB GLU B 636 15.314 -12.940 3.866 1.00 0.00 C ATOM 1307 CG GLU B 636 13.908 -13.285 4.328 1.00 0.00 C ATOM 1308 CD GLU B 636 13.540 -14.730 4.070 1.00 0.00 C ATOM 1309 OE1 GLU B 636 13.958 -15.609 4.853 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 12.826 -14.995 3.077 1.00 0.00 O ATOM 0 H GLU B 636 14.223 -11.954 1.930 1.00 0.00 H new ATOM 0 HA GLU B 636 15.216 -10.864 4.392 1.00 0.00 H new ATOM 0 HB2 GLU B 636 15.563 -13.542 2.992 1.00 0.00 H new ATOM 0 HB3 GLU B 636 16.024 -13.206 4.649 1.00 0.00 H new ATOM 0 HG2 GLU B 636 13.821 -13.078 5.395 1.00 0.00 H new ATOM 0 HG3 GLU B 636 13.195 -12.637 3.818 1.00 0.00 H new ATOM 1317 N HIS B 637 17.190 -11.062 1.855 1.00 0.00 N ATOM 1318 CA HIS B 637 18.518 -10.696 1.374 1.00 0.00 C ATOM 1319 C HIS B 637 18.694 -9.179 1.388 1.00 0.00 C ATOM 1320 O HIS B 637 19.792 -8.660 1.188 1.00 0.00 O ATOM 1321 CB HIS B 637 18.768 -11.241 -0.037 1.00 0.00 C ATOM 1322 CG HIS B 637 18.780 -12.739 -0.121 1.00 0.00 C ATOM 1323 ND1 HIS B 637 18.175 -13.444 -1.139 1.00 0.00 N ATOM 1324 CD2 HIS B 637 19.350 -13.666 0.684 1.00 0.00 C ATOM 1325 CE1 HIS B 637 18.372 -14.736 -0.954 1.00 0.00 C ATOM 1326 NE2 HIS B 637 19.083 -14.900 0.146 1.00 0.00 N ATOM 0 H HIS B 637 16.508 -11.243 1.118 1.00 0.00 H new ATOM 0 HA HIS B 637 19.249 -11.144 2.047 1.00 0.00 H new ATOM 0 HB2 HIS B 637 17.998 -10.856 -0.705 1.00 0.00 H new ATOM 0 HB3 HIS B 637 19.723 -10.860 -0.398 1.00 0.00 H new ATOM 0 HD2 HIS B 637 19.912 -13.470 1.585 1.00 0.00 H new ATOM 0 HE1 HIS B 637 18.012 -15.527 -1.595 1.00 0.00 H new ATOM 0 HE2 HIS B 637 19.384 -15.795 0.532 1.00 0.00 H new ATOM 1335 N ARG B 638 17.574 -8.490 1.622 1.00 0.00 N ATOM 1336 CA ARG B 638 17.539 -7.041 1.825 1.00 0.00 C ATOM 1337 C ARG B 638 18.115 -6.256 0.650 1.00 0.00 C ATOM 1338 O ARG B 638 18.891 -5.322 0.842 1.00 0.00 O ATOM 1339 CB ARG B 638 18.258 -6.665 3.124 1.00 0.00 C ATOM 1340 CG ARG B 638 17.505 -7.075 4.373 1.00 0.00 C ATOM 1341 CD ARG B 638 18.259 -6.667 5.623 1.00 0.00 C ATOM 1342 NE ARG B 638 19.585 -7.278 5.685 1.00 0.00 N ATOM 1343 CZ ARG B 638 20.546 -6.892 6.521 1.00 0.00 C ATOM 1344 NH1 ARG B 638 20.328 -5.904 7.382 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 21.726 -7.498 6.498 1.00 0.00 N ATOM 0 H ARG B 638 16.655 -8.929 1.676 1.00 0.00 H new ATOM 0 HA ARG B 638 16.488 -6.763 1.898 1.00 0.00 H new ATOM 0 HB2 ARG B 638 19.243 -7.133 3.133 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.417 -5.587 3.143 1.00 0.00 H new ATOM 0 HG2 ARG B 638 16.517 -6.614 4.374 1.00 0.00 H new ATOM 0 HG3 ARG B 638 17.353 -8.154 4.372 1.00 0.00 H new ATOM 0 HD2 ARG B 638 18.358 -5.582 5.649 1.00 0.00 H new ATOM 0 HD3 ARG B 638 17.685 -6.956 6.503 1.00 0.00 H new ATOM 0 HE ARG B 638 19.787 -8.048 5.048 1.00 0.00 H new ATOM 0 HH11 ARG B 638 19.421 -5.438 7.404 1.00 0.00 H new ATOM 0 HH12 ARG B 638 21.068 -5.612 8.021 1.00 0.00 H new ATOM 0 HH21 ARG B 638 21.896 -8.259 5.840 1.00 0.00 H new ATOM 0 HH22 ARG B 638 22.463 -7.203 7.138 1.00 0.00 H new ATOM 1359 N ALA B 639 17.707 -6.611 -0.560 1.00 0.00 N ATOM 1360 CA ALA B 639 18.130 -5.882 -1.751 1.00 0.00 C ATOM 1361 C ALA B 639 17.368 -4.569 -1.848 1.00 0.00 C ATOM 1362 O ALA B 639 16.143 -4.562 -1.956 1.00 0.00 O ATOM 1363 CB ALA B 639 17.912 -6.720 -2.998 1.00 0.00 C ATOM 0 H ALA B 639 17.085 -7.398 -0.745 1.00 0.00 H new ATOM 0 HA ALA B 639 19.196 -5.667 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.234 -6.158 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.492 -7.640 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.854 -6.964 -3.092 1.00 0.00 H new ATOM 1369 N GLN B 640 18.088 -3.461 -1.821 1.00 0.00 N ATOM 1370 CA GLN B 640 17.452 -2.158 -1.695 1.00 0.00 C ATOM 1371 C GLN B 640 16.936 -1.632 -3.028 1.00 0.00 C ATOM 1372 O GLN B 640 17.605 -1.712 -4.060 1.00 0.00 O ATOM 1373 CB GLN B 640 18.393 -1.149 -1.041 1.00 0.00 C ATOM 1374 CG GLN B 640 18.746 -1.511 0.390 1.00 0.00 C ATOM 1375 CD GLN B 640 19.432 -0.384 1.126 1.00 0.00 C ATOM 1376 OE1 GLN B 640 20.654 -0.247 1.081 1.00 0.00 O ATOM 1377 NE2 GLN B 640 18.654 0.413 1.835 1.00 0.00 N ATOM 0 H GLN B 640 19.106 -3.435 -1.884 1.00 0.00 H new ATOM 0 HA GLN B 640 16.585 -2.293 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.308 -1.079 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN B 640 17.928 -0.163 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN B 640 17.837 -1.788 0.925 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.395 -2.387 0.389 1.00 0.00 H new ATOM 0 HE21 GLN B 640 17.645 0.264 1.845 1.00 0.00 H new ATOM 0 HE22 GLN B 640 19.062 1.178 2.373 1.00 0.00 H new ATOM 1386 N VAL B 641 15.723 -1.107 -2.976 1.00 0.00 N ATOM 1387 CA VAL B 641 15.033 -0.564 -4.132 1.00 0.00 C ATOM 1388 C VAL B 641 14.531 0.838 -3.834 1.00 0.00 C ATOM 1389 O VAL B 641 13.833 1.055 -2.846 1.00 0.00 O ATOM 1390 CB VAL B 641 13.830 -1.453 -4.518 1.00 0.00 C ATOM 1391 CG1 VAL B 641 12.972 -0.799 -5.590 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.306 -2.814 -4.980 1.00 0.00 C ATOM 0 H VAL B 641 15.182 -1.046 -2.114 1.00 0.00 H new ATOM 0 HA VAL B 641 15.740 -0.535 -4.961 1.00 0.00 H new ATOM 0 HB VAL B 641 13.211 -1.578 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.136 -1.453 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.591 0.153 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.573 -0.628 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.446 -3.428 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL B 641 14.954 -2.697 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL B 641 14.861 -3.298 -4.176 1.00 0.00 H new ATOM 1402 N SER B 642 14.892 1.781 -4.679 1.00 0.00 N ATOM 1403 CA SER B 642 14.424 3.145 -4.534 1.00 0.00 C ATOM 1404 C SER B 642 13.304 3.418 -5.532 1.00 0.00 C ATOM 1405 O SER B 642 13.543 3.508 -6.735 1.00 0.00 O ATOM 1406 CB SER B 642 15.581 4.118 -4.744 1.00 0.00 C ATOM 1407 OG SER B 642 16.607 3.899 -3.788 1.00 0.00 O ATOM 0 H SER B 642 15.510 1.628 -5.476 1.00 0.00 H new ATOM 0 HA SER B 642 14.033 3.286 -3.526 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.984 3.998 -5.750 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.218 5.143 -4.666 1.00 0.00 H new ATOM 0 HG SER B 642 17.339 4.532 -3.943 1.00 0.00 H new ATOM 1413 N VAL B 643 12.083 3.533 -5.032 1.00 0.00 N ATOM 1414 CA VAL B 643 10.931 3.743 -5.883 1.00 0.00 C ATOM 1415 C VAL B 643 10.321 5.127 -5.646 1.00 0.00 C ATOM 1416 O VAL B 643 9.970 5.483 -4.520 1.00 0.00 O ATOM 1417 CB VAL B 643 9.877 2.633 -5.654 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.489 2.531 -4.185 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.656 2.875 -6.513 1.00 0.00 C ATOM 0 H VAL B 643 11.868 3.484 -4.036 1.00 0.00 H new ATOM 0 HA VAL B 643 11.261 3.694 -6.921 1.00 0.00 H new ATOM 0 HB VAL B 643 10.324 1.683 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL B 643 8.747 1.742 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.372 2.297 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.069 3.480 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL B 643 7.926 2.085 -6.339 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.216 3.839 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL B 643 8.945 2.876 -7.564 1.00 0.00 H new ATOM 1429 N GLU B 644 10.224 5.907 -6.715 1.00 0.00 N ATOM 1430 CA GLU B 644 9.699 7.264 -6.642 1.00 0.00 C ATOM 1431 C GLU B 644 8.183 7.262 -6.811 1.00 0.00 C ATOM 1432 O GLU B 644 7.671 6.949 -7.889 1.00 0.00 O ATOM 1433 CB GLU B 644 10.339 8.126 -7.733 1.00 0.00 C ATOM 1434 CG GLU B 644 11.840 8.300 -7.567 1.00 0.00 C ATOM 1435 CD GLU B 644 12.497 8.889 -8.794 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.268 10.082 -9.088 1.00 0.00 O1- ATOM 1437 OE2 GLU B 644 13.249 8.163 -9.478 1.00 0.00 O ATOM 0 H GLU B 644 10.505 5.619 -7.652 1.00 0.00 H new ATOM 0 HA GLU B 644 9.940 7.678 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.139 7.675 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.865 9.108 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU B 644 12.034 8.945 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.292 7.333 -7.347 1.00 0.00 H new ATOM 1444 N VAL B 645 7.464 7.600 -5.751 1.00 0.00 N ATOM 1445 CA VAL B 645 6.008 7.641 -5.798 1.00 0.00 C ATOM 1446 C VAL B 645 5.492 8.970 -5.267 1.00 0.00 C ATOM 1447 O VAL B 645 6.239 9.734 -4.651 1.00 0.00 O ATOM 1448 CB VAL B 645 5.368 6.495 -4.980 1.00 0.00 C ATOM 1449 CG1 VAL B 645 5.743 5.139 -5.557 1.00 0.00 C ATOM 1450 CG2 VAL B 645 5.775 6.584 -3.515 1.00 0.00 C ATOM 0 H VAL B 645 7.864 7.850 -4.847 1.00 0.00 H new ATOM 0 HA VAL B 645 5.725 7.521 -6.844 1.00 0.00 H new ATOM 0 HB VAL B 645 4.285 6.603 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL B 645 5.280 4.350 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL B 645 5.392 5.072 -6.587 1.00 0.00 H new ATOM 0 HG13 VAL B 645 6.826 5.021 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.313 5.768 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL B 645 6.859 6.511 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL B 645 5.444 7.537 -3.103 1.00 0.00 H new ATOM 1460 N LEU B 646 4.221 9.253 -5.519 1.00 0.00 N ATOM 1461 CA LEU B 646 3.593 10.426 -4.941 1.00 0.00 C ATOM 1462 C LEU B 646 3.209 10.135 -3.500 1.00 0.00 C ATOM 1463 O LEU B 646 2.809 9.021 -3.163 1.00 0.00 O ATOM 1464 CB LEU B 646 2.352 10.858 -5.724 1.00 0.00 C ATOM 1465 CG LEU B 646 2.603 11.341 -7.150 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.482 12.260 -7.606 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.934 12.052 -7.249 1.00 0.00 C ATOM 0 H LEU B 646 3.612 8.691 -6.114 1.00 0.00 H new ATOM 0 HA LEU B 646 4.312 11.244 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.658 10.018 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.856 11.656 -5.172 1.00 0.00 H new ATOM 0 HG LEU B 646 2.628 10.469 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.678 12.595 -8.625 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.535 11.721 -7.577 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.428 13.124 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.092 12.388 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.937 12.913 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.734 11.369 -6.964 1.00 0.00 H new ATOM 1479 N VAL B 647 3.323 11.149 -2.660 1.00 0.00 N ATOM 1480 CA VAL B 647 3.100 11.001 -1.229 1.00 0.00 C ATOM 1481 C VAL B 647 1.630 10.742 -0.910 1.00 0.00 C ATOM 1482 O VAL B 647 1.291 10.338 0.201 1.00 0.00 O ATOM 1483 CB VAL B 647 3.584 12.244 -0.454 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.066 12.483 -0.693 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.770 13.474 -0.832 1.00 0.00 C ATOM 0 H VAL B 647 3.572 12.096 -2.947 1.00 0.00 H new ATOM 0 HA VAL B 647 3.682 10.136 -0.911 1.00 0.00 H new ATOM 0 HB VAL B 647 3.436 12.057 0.610 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.387 13.364 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.633 11.615 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.242 12.641 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.132 14.336 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.875 13.666 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.720 13.302 -0.596 1.00 0.00 H new ATOM 1495 N GLU B 648 0.766 10.973 -1.891 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.660 10.718 -1.732 1.00 0.00 C ATOM 1497 C GLU B 648 -0.950 9.222 -1.821 1.00 0.00 C ATOM 1498 O GLU B 648 -2.023 8.766 -1.423 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.458 11.470 -2.800 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.103 11.073 -4.225 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.833 11.897 -5.264 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.518 13.098 -5.403 1.00 0.00 O1- ATOM 1503 OE2 GLU B 648 -2.722 11.348 -5.949 1.00 0.00 O ATOM 0 H GLU B 648 1.029 11.337 -2.807 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.964 11.075 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.521 11.293 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.291 12.540 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.028 11.183 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -1.339 10.019 -4.373 1.00 0.00 H new ATOM 1510 N TYR B 649 0.015 8.468 -2.337 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.136 7.035 -2.508 1.00 0.00 C ATOM 1512 C TYR B 649 -0.119 6.316 -1.168 1.00 0.00 C ATOM 1513 O TYR B 649 0.817 6.472 -0.378 1.00 0.00 O ATOM 1514 CB TYR B 649 0.976 6.493 -3.406 1.00 0.00 C ATOM 1515 CG TYR B 649 0.666 6.587 -4.881 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.500 7.818 -5.499 1.00 0.00 C ATOM 1517 CD2 TYR B 649 0.541 5.440 -5.657 1.00 0.00 C ATOM 1518 CE1 TYR B 649 0.216 7.907 -6.849 1.00 0.00 C ATOM 1519 CE2 TYR B 649 0.260 5.520 -7.006 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.098 6.756 -7.597 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.188 6.838 -8.939 1.00 0.00 O ATOM 0 H TYR B 649 0.916 8.834 -2.645 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.101 6.851 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.896 7.041 -3.201 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.163 5.450 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.594 8.722 -4.916 1.00 0.00 H new ATOM 0 HD2 TYR B 649 0.666 4.471 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR B 649 0.087 8.873 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR B 649 0.167 4.620 -7.596 1.00 0.00 H new ATOM 0 HH TYR B 649 -0.236 5.936 -9.319 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.171 5.538 -0.888 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.247 4.728 0.318 1.00 0.00 C ATOM 1533 C PRO B 650 -0.388 3.473 0.207 1.00 0.00 C ATOM 1534 O PRO B 650 -0.229 2.911 -0.875 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.730 4.378 0.403 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.189 4.351 -1.010 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.380 5.398 -1.724 1.00 0.00 C ATOM 0 HA PRO B 650 -0.875 5.246 1.202 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.883 3.414 0.888 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.280 5.118 0.985 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -3.033 3.367 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.255 4.566 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.131 5.088 -2.739 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.924 6.339 -1.802 1.00 0.00 H new ATOM 1545 N PHE B 651 0.164 3.048 1.329 1.00 0.00 N ATOM 1546 CA PHE B 651 1.053 1.901 1.373 1.00 0.00 C ATOM 1547 C PHE B 651 0.628 0.928 2.462 1.00 0.00 C ATOM 1548 O PHE B 651 0.763 1.206 3.657 1.00 0.00 O ATOM 1549 CB PHE B 651 2.501 2.345 1.615 1.00 0.00 C ATOM 1550 CG PHE B 651 3.240 2.737 0.365 1.00 0.00 C ATOM 1551 CD1 PHE B 651 2.940 3.914 -0.301 1.00 0.00 C ATOM 1552 CD2 PHE B 651 4.240 1.922 -0.142 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.622 4.270 -1.449 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.925 2.273 -1.289 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.616 3.447 -1.944 1.00 0.00 C ATOM 0 H PHE B 651 0.009 3.488 2.236 1.00 0.00 H new ATOM 0 HA PHE B 651 0.993 1.398 0.408 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.500 3.190 2.304 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.041 1.535 2.105 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.164 4.561 0.081 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.487 1.001 0.366 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.379 5.190 -1.959 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.702 1.629 -1.673 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.150 3.722 -2.842 1.00 0.00 H new ATOM 1565 N PHE B 652 0.090 -0.205 2.045 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.238 -1.265 2.976 1.00 0.00 C ATOM 1567 C PHE B 652 1.049 -1.879 3.491 1.00 0.00 C ATOM 1568 O PHE B 652 1.882 -2.324 2.707 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.100 -2.332 2.304 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.398 -2.562 3.012 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.421 -3.207 4.233 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.591 -2.122 2.466 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.610 -3.413 4.898 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.785 -2.326 3.126 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.794 -2.971 4.346 1.00 0.00 C ATOM 0 H PHE B 652 -0.128 -0.412 1.070 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.809 -0.850 3.806 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.301 -2.035 1.275 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.544 -3.268 2.262 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.497 -3.554 4.671 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.587 -1.614 1.513 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.615 -3.920 5.851 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.711 -1.982 2.689 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.726 -3.129 4.867 1.00 0.00 H new ATOM 1585 N VAL B 653 1.235 -1.884 4.799 1.00 0.00 N ATOM 1586 CA VAL B 653 2.490 -2.343 5.352 1.00 0.00 C ATOM 1587 C VAL B 653 2.335 -3.734 5.983 1.00 0.00 C ATOM 1588 O VAL B 653 1.346 -4.014 6.658 1.00 0.00 O ATOM 1589 CB VAL B 653 3.068 -1.346 6.374 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.564 -1.505 6.446 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.732 0.093 6.017 1.00 0.00 C ATOM 0 H VAL B 653 0.544 -1.580 5.485 1.00 0.00 H new ATOM 0 HA VAL B 653 3.198 -2.413 4.526 1.00 0.00 H new ATOM 0 HB VAL B 653 2.616 -1.566 7.341 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.971 -0.799 7.170 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.807 -2.522 6.755 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.998 -1.310 5.465 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.159 0.762 6.764 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.146 0.331 5.037 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.650 0.219 5.993 1.00 0.00 H new ATOM 1601 N PHE B 654 3.345 -4.575 5.767 1.00 0.00 N ATOM 1602 CA PHE B 654 3.302 -6.016 6.061 1.00 0.00 C ATOM 1603 C PHE B 654 3.370 -6.333 7.558 1.00 0.00 C ATOM 1604 O PHE B 654 4.401 -6.790 8.050 1.00 0.00 O ATOM 1605 CB PHE B 654 4.483 -6.685 5.345 1.00 0.00 C ATOM 1606 CG PHE B 654 4.476 -8.188 5.396 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.354 -8.907 5.019 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.600 -8.881 5.813 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.351 -10.288 5.061 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.604 -10.261 5.859 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.478 -10.965 5.481 1.00 0.00 C ATOM 0 H PHE B 654 4.237 -4.273 5.375 1.00 0.00 H new ATOM 0 HA PHE B 654 2.344 -6.398 5.708 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.484 -6.370 4.302 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.411 -6.324 5.788 1.00 0.00 H new ATOM 0 HD1 PHE B 654 2.470 -8.382 4.688 1.00 0.00 H new ATOM 0 HD2 PHE B 654 6.485 -8.335 6.106 1.00 0.00 H new ATOM 0 HE1 PHE B 654 2.469 -10.837 4.766 1.00 0.00 H new ATOM 0 HE2 PHE B 654 6.486 -10.789 6.190 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.479 -12.044 5.514 1.00 0.00 H new ATOM 1621 N GLY B 655 2.275 -6.120 8.270 1.00 0.00 N ATOM 1622 CA GLY B 655 2.265 -6.379 9.701 1.00 0.00 C ATOM 1623 C GLY B 655 2.447 -5.114 10.509 1.00 0.00 C ATOM 1624 O GLY B 655 2.362 -5.125 11.737 1.00 0.00 O ATOM 0 H GLY B 655 1.395 -5.774 7.888 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.323 -6.852 9.977 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.060 -7.083 9.947 1.00 0.00 H new ATOM 1628 N GLN B 656 2.700 -4.016 9.814 1.00 0.00 N ATOM 1629 CA GLN B 656 2.988 -2.745 10.463 1.00 0.00 C ATOM 1630 C GLN B 656 1.726 -1.887 10.515 1.00 0.00 C ATOM 1631 O GLN B 656 1.516 -1.133 11.465 1.00 0.00 O ATOM 1632 CB GLN B 656 4.112 -2.001 9.724 1.00 0.00 C ATOM 1633 CG GLN B 656 5.478 -2.689 9.726 1.00 0.00 C ATOM 1634 CD GLN B 656 5.467 -4.076 9.125 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.530 -4.131 7.806 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 5.380 -5.073 9.834 1.00 0.00 N flip ATOM 0 H GLN B 656 2.712 -3.979 8.795 1.00 0.00 H new ATOM 0 HA GLN B 656 3.323 -2.942 11.481 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.803 -1.850 8.689 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.223 -1.013 10.171 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.186 -2.070 9.174 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.841 -2.751 10.752 1.00 0.00 H new ATOM 0 HE21 GLN B 656 5.334 -4.975 10.848 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.353 -6.000 9.409 1.00 0.00 H new ATOM 1645 N GLY B 657 0.879 -2.003 9.491 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.400 -1.317 9.518 1.00 0.00 C ATOM 1647 C GLY B 657 -0.822 -0.741 8.178 1.00 0.00 C ATOM 1648 O GLY B 657 -0.224 -1.039 7.142 1.00 0.00 O ATOM 0 H GLY B 657 1.056 -2.555 8.652 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.166 -2.013 9.860 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.352 -0.510 10.250 1.00 0.00 H new ATOM 1652 N TRP B 658 -1.861 0.083 8.216 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.417 0.720 7.028 1.00 0.00 C ATOM 1654 C TRP B 658 -1.902 2.159 6.956 1.00 0.00 C ATOM 1655 O TRP B 658 -2.394 3.043 7.658 1.00 0.00 O ATOM 1656 CB TRP B 658 -3.950 0.677 7.122 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.717 1.048 5.879 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.055 1.308 5.837 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.245 1.190 4.523 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.449 1.594 4.560 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.364 1.532 3.736 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.002 1.064 3.889 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.278 1.747 2.366 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -2.925 1.280 2.526 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.056 1.617 1.780 1.00 0.00 C ATOM 0 H TRP B 658 -2.346 0.330 9.079 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.111 0.199 6.121 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.244 -0.331 7.415 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.260 1.346 7.925 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.712 1.290 6.694 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.401 1.818 4.270 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.120 0.803 4.455 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.151 2.008 1.786 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -1.971 1.186 2.028 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -3.960 1.778 0.716 1.00 0.00 H new ATOM 1676 N SER B 659 -0.894 2.384 6.124 1.00 0.00 N ATOM 1677 CA SER B 659 -0.161 3.641 6.135 1.00 0.00 C ATOM 1678 C SER B 659 -0.095 4.269 4.747 1.00 0.00 C ATOM 1679 O SER B 659 -0.498 3.659 3.765 1.00 0.00 O ATOM 1680 CB SER B 659 1.255 3.382 6.658 1.00 0.00 C ATOM 1681 OG SER B 659 1.217 2.744 7.924 1.00 0.00 O ATOM 0 H SER B 659 -0.565 1.711 5.432 1.00 0.00 H new ATOM 0 HA SER B 659 -0.685 4.342 6.785 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.801 2.760 5.949 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.796 4.325 6.737 1.00 0.00 H new ATOM 0 HG SER B 659 2.132 2.586 8.239 1.00 0.00 H new ATOM 1687 N SER B 660 0.356 5.513 4.686 1.00 0.00 N ATOM 1688 CA SER B 660 0.691 6.151 3.425 1.00 0.00 C ATOM 1689 C SER B 660 1.898 7.051 3.626 1.00 0.00 C ATOM 1690 O SER B 660 2.264 7.353 4.766 1.00 0.00 O ATOM 1691 CB SER B 660 -0.491 6.952 2.873 1.00 0.00 C ATOM 1692 OG SER B 660 -0.795 8.060 3.695 1.00 0.00 O ATOM 0 H SER B 660 0.499 6.104 5.505 1.00 0.00 H new ATOM 0 HA SER B 660 0.929 5.378 2.694 1.00 0.00 H new ATOM 0 HB2 SER B 660 -0.259 7.298 1.866 1.00 0.00 H new ATOM 0 HB3 SER B 660 -1.365 6.305 2.794 1.00 0.00 H new ATOM 0 HG SER B 660 -1.377 8.679 3.207 1.00 0.00 H new ATOM 1698 N CYS B 661 2.522 7.467 2.533 1.00 0.00 N ATOM 1699 CA CYS B 661 3.690 8.334 2.609 1.00 0.00 C ATOM 1700 C CYS B 661 3.316 9.692 3.195 1.00 0.00 C ATOM 1701 O CYS B 661 4.162 10.394 3.749 1.00 0.00 O ATOM 1702 CB CYS B 661 4.303 8.510 1.223 1.00 0.00 C ATOM 1703 SG CYS B 661 4.814 6.961 0.443 1.00 0.00 S ATOM 0 H CYS B 661 2.240 7.219 1.585 1.00 0.00 H new ATOM 0 HA CYS B 661 4.424 7.867 3.265 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.580 9.009 0.578 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.168 9.169 1.301 1.00 0.00 H new ATOM 0 HG CYS B 661 3.766 6.233 0.195 1.00 0.00 H new ATOM 1709 N CYS B 662 2.041 10.041 3.086 1.00 0.00 N ATOM 1710 CA CYS B 662 1.538 11.304 3.598 1.00 0.00 C ATOM 1711 C CYS B 662 0.046 11.198 3.866 1.00 0.00 C ATOM 1712 O CYS B 662 -0.779 11.534 3.009 1.00 0.00 O ATOM 1713 CB CYS B 662 1.831 12.455 2.626 1.00 0.00 C ATOM 1714 SG CYS B 662 3.545 13.035 2.658 1.00 0.00 S ATOM 0 H CYS B 662 1.331 9.458 2.642 1.00 0.00 H new ATOM 0 HA CYS B 662 2.052 11.523 4.534 1.00 0.00 H new ATOM 0 HB2 CYS B 662 1.587 12.132 1.614 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.172 13.291 2.861 1.00 0.00 H new ATOM 0 HG CYS B 662 4.318 12.082 3.089 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.312 10.715 5.066 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.703 10.513 5.474 1.00 0.00 C ATOM 1722 C PRO B 663 -2.554 11.752 5.292 1.00 0.00 C ATOM 1723 O PRO B 663 -3.740 11.652 4.975 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.598 10.169 6.955 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.242 9.585 7.106 1.00 0.00 C ATOM 1726 CD PRO B 663 0.629 10.315 6.126 1.00 0.00 C ATOM 0 HA PRO B 663 -2.185 9.743 4.871 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.720 11.055 7.578 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.371 9.461 7.254 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.126 9.709 8.124 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.252 8.515 6.899 1.00 0.00 H new ATOM 0 HD2 PRO B 663 1.111 11.179 6.583 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.422 9.675 5.739 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.947 12.916 5.493 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.646 14.180 5.324 1.00 0.00 C ATOM 1736 C GLU B 664 -3.254 14.249 3.939 1.00 0.00 C ATOM 1737 O GLU B 664 -4.450 14.430 3.789 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.705 15.372 5.500 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.698 15.207 6.618 1.00 0.00 C ATOM 1740 CD GLU B 664 0.590 14.575 6.141 1.00 0.00 C ATOM 1741 OE1 GLU B 664 1.401 15.279 5.508 1.00 0.00 O ATOM 1742 OE2 GLU B 664 0.796 13.375 6.398 1.00 0.00 O1- ATOM 0 H GLU B 664 -0.971 13.008 5.774 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.422 14.229 6.088 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -1.170 15.539 4.565 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -2.300 16.265 5.691 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.482 16.181 7.056 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -1.132 14.592 7.407 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.413 14.068 2.937 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.838 14.183 1.547 1.00 0.00 C ATOM 1751 C ARG B 665 -3.814 13.065 1.172 1.00 0.00 C ATOM 1752 O ARG B 665 -4.792 13.308 0.469 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.621 14.169 0.620 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.918 14.642 -0.789 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.644 14.847 -1.592 1.00 0.00 C ATOM 1756 NE ARG B 665 0.209 15.888 -1.016 1.00 0.00 N ATOM 1757 CZ ARG B 665 1.032 16.657 -1.724 1.00 0.00 C ATOM 1758 NH1 ARG B 665 1.132 16.501 -3.040 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 1.762 17.578 -1.111 1.00 0.00 N ATOM 0 H ARG B 665 -1.426 13.840 3.057 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.359 15.133 1.428 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.843 14.800 1.048 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.221 13.156 0.576 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.552 13.912 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.478 15.577 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.090 13.909 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -0.901 15.116 -2.617 1.00 0.00 H new ATOM 0 HE ARG B 665 0.170 16.033 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG B 665 0.576 15.789 -3.513 1.00 0.00 H new ATOM 0 HH12 ARG B 665 1.765 17.094 -3.577 1.00 0.00 H new ATOM 0 HH21 ARG B 665 1.692 17.695 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG B 665 2.394 18.170 -1.650 1.00 0.00 H new ATOM 1773 N THR B 666 -3.562 11.848 1.648 1.00 0.00 N ATOM 1774 CA THR B 666 -4.459 10.732 1.363 1.00 0.00 C ATOM 1775 C THR B 666 -5.859 11.011 1.928 1.00 0.00 C ATOM 1776 O THR B 666 -6.860 10.859 1.225 1.00 0.00 O ATOM 1777 CB THR B 666 -3.908 9.401 1.928 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.501 9.314 1.655 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.616 8.196 1.302 1.00 0.00 C ATOM 0 H THR B 666 -2.755 11.611 2.225 1.00 0.00 H new ATOM 0 HA THR B 666 -4.527 10.632 0.280 1.00 0.00 H new ATOM 0 HB THR B 666 -4.088 9.387 3.003 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.363 9.127 0.703 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.207 7.276 1.719 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.683 8.249 1.517 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.463 8.204 0.223 1.00 0.00 H new ATOM 1787 N SER B 667 -5.927 11.457 3.180 1.00 0.00 N ATOM 1788 CA SER B 667 -7.198 11.789 3.799 1.00 0.00 C ATOM 1789 C SER B 667 -7.791 13.069 3.199 1.00 0.00 C ATOM 1790 O SER B 667 -9.003 13.196 3.054 1.00 0.00 O ATOM 1791 CB SER B 667 -7.018 11.938 5.309 1.00 0.00 C ATOM 1792 OG SER B 667 -5.974 12.843 5.620 1.00 0.00 O ATOM 0 H SER B 667 -5.115 11.595 3.782 1.00 0.00 H new ATOM 0 HA SER B 667 -7.898 10.977 3.602 1.00 0.00 H new ATOM 0 HB2 SER B 667 -7.949 12.288 5.755 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.800 10.965 5.748 1.00 0.00 H new ATOM 0 HG SER B 667 -5.122 12.360 5.656 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.927 14.016 2.866 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.333 15.257 2.224 1.00 0.00 C ATOM 1800 C GLN B 668 -8.080 15.030 0.920 1.00 0.00 C ATOM 1801 O GLN B 668 -9.178 15.552 0.718 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.092 16.092 1.935 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.774 17.083 3.022 1.00 0.00 C ATOM 1804 CD GLN B 668 -4.545 17.913 2.720 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -4.228 18.175 1.560 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -3.842 18.330 3.758 1.00 0.00 N ATOM 0 H GLN B 668 -5.923 13.946 3.034 1.00 0.00 H new ATOM 0 HA GLN B 668 -8.011 15.769 2.907 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.239 15.427 1.798 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.233 16.627 0.996 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.628 17.745 3.164 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.625 16.550 3.961 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -4.139 18.091 4.704 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -3.002 18.891 3.613 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.490 14.243 0.045 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.961 14.158 -1.325 1.00 0.00 C ATOM 1817 C LEU B 669 -8.919 12.992 -1.523 1.00 0.00 C ATOM 1818 O LEU B 669 -9.872 13.083 -2.297 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.764 14.014 -2.261 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.569 14.917 -1.929 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.448 14.712 -2.933 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.980 16.385 -1.859 1.00 0.00 C ATOM 0 H LEU B 669 -6.685 13.653 0.255 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.508 15.073 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.432 12.976 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.090 14.228 -3.279 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.201 14.634 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.610 15.361 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.122 13.672 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.806 14.955 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.109 16.996 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.389 16.694 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.736 16.515 -1.084 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.658 11.898 -0.830 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.440 10.680 -1.006 1.00 0.00 C ATOM 1836 C PHE B 670 -10.341 10.444 0.198 1.00 0.00 C ATOM 1837 O PHE B 670 -11.121 9.490 0.223 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.497 9.490 -1.205 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.353 9.799 -2.132 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.587 10.235 -3.425 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.044 9.659 -1.703 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.537 10.524 -4.274 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -4.990 9.946 -2.547 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.236 10.380 -3.833 1.00 0.00 C ATOM 0 H PHE B 670 -7.911 11.825 -0.139 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.072 10.789 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -8.101 9.181 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.063 8.647 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.603 10.350 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.845 9.321 -0.697 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.733 10.862 -5.281 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.974 9.831 -2.201 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.413 10.607 -4.494 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.204 11.321 1.196 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.947 11.224 2.458 1.00 0.00 C ATOM 1856 C ASP B 671 -10.568 9.975 3.239 1.00 0.00 C ATOM 1857 O ASP B 671 -11.115 9.712 4.310 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.459 11.254 2.224 1.00 0.00 C ATOM 1859 CG ASP B 671 -13.015 12.660 2.156 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.873 13.322 1.106 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -13.604 13.112 3.161 1.00 0.00 O ATOM 0 H ASP B 671 -9.573 12.121 1.153 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.671 12.096 3.050 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.689 10.732 1.295 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.957 10.710 3.027 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.611 9.227 2.720 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.247 7.957 3.307 1.00 0.00 C ATOM 1868 C LEU B 672 -8.134 8.119 4.339 1.00 0.00 C ATOM 1869 O LEU B 672 -7.081 8.683 4.044 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.808 6.973 2.228 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.426 5.606 2.782 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.674 4.825 3.151 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.561 4.833 1.797 1.00 0.00 C ATOM 0 H LEU B 672 -9.073 9.481 1.891 1.00 0.00 H new ATOM 0 HA LEU B 672 -10.130 7.565 3.812 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.615 6.852 1.505 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.957 7.390 1.689 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.833 5.753 3.685 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -9.389 3.850 3.546 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -10.236 5.373 3.908 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -10.294 4.691 2.265 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -7.305 3.862 2.221 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.110 4.689 0.866 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.648 5.394 1.597 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.368 7.632 5.566 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.378 7.657 6.644 1.00 0.00 C ATOM 1887 C PRO B 673 -6.148 6.827 6.337 1.00 0.00 C ATOM 1888 O PRO B 673 -6.226 5.788 5.677 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.109 7.037 7.833 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.552 7.187 7.506 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.631 7.035 6.015 1.00 0.00 C ATOM 0 HA PRO B 673 -7.019 8.672 6.812 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.839 5.989 7.962 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -7.858 7.548 8.763 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -10.152 6.431 8.012 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -9.930 8.159 7.824 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.714 5.990 5.718 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.495 7.554 5.600 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.022 7.289 6.833 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.772 6.573 6.692 1.00 0.00 C ATOM 1901 C CYS B 674 -2.861 6.843 7.873 1.00 0.00 C ATOM 1902 O CYS B 674 -2.917 7.902 8.496 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.084 6.973 5.393 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.795 6.199 3.924 1.00 0.00 S ATOM 0 H CYS B 674 -4.946 8.169 7.344 1.00 0.00 H new ATOM 0 HA CYS B 674 -3.988 5.505 6.665 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -3.137 8.056 5.283 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.028 6.710 5.456 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.001 5.793 4.188 1.00 0.00 H new ATOM 1910 N SER B 675 -2.065 5.850 8.197 1.00 0.00 N ATOM 1911 CA SER B 675 -1.020 5.986 9.195 1.00 0.00 C ATOM 1912 C SER B 675 0.242 6.500 8.514 1.00 0.00 C ATOM 1913 O SER B 675 0.409 6.326 7.309 1.00 0.00 O ATOM 1914 CB SER B 675 -0.765 4.633 9.863 1.00 0.00 C ATOM 1915 OG SER B 675 -1.985 4.033 10.272 1.00 0.00 O ATOM 0 H SER B 675 -2.121 4.922 7.777 1.00 0.00 H new ATOM 0 HA SER B 675 -1.324 6.694 9.966 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.245 3.973 9.169 1.00 0.00 H new ATOM 0 HB3 SER B 675 -0.113 4.766 10.726 1.00 0.00 H new ATOM 0 HG SER B 675 -2.404 3.588 9.506 1.00 0.00 H new ATOM 1921 N LYS B 676 1.116 7.150 9.260 1.00 0.00 N ATOM 1922 CA LYS B 676 2.303 7.739 8.668 1.00 0.00 C ATOM 1923 C LYS B 676 3.359 6.680 8.386 1.00 0.00 C ATOM 1924 O LYS B 676 3.999 6.159 9.303 1.00 0.00 O ATOM 1925 CB LYS B 676 2.875 8.841 9.566 1.00 0.00 C ATOM 1926 CG LYS B 676 4.078 9.554 8.964 1.00 0.00 C ATOM 1927 CD LYS B 676 3.796 10.007 7.539 1.00 0.00 C ATOM 1928 CE LYS B 676 4.956 10.797 6.957 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.115 12.120 7.612 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.028 7.283 10.267 1.00 0.00 H new ATOM 0 HA LYS B 676 2.010 8.188 7.719 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.094 9.573 9.771 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.163 8.406 10.523 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.337 10.417 9.578 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.940 8.887 8.972 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.599 9.136 6.913 1.00 0.00 H new ATOM 0 HD3 LYS B 676 2.895 10.620 7.524 1.00 0.00 H new ATOM 0 HE2 LYS B 676 5.877 10.224 7.069 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.797 10.939 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 5.801 12.691 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.198 12.610 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 5.458 11.987 8.585 1.00 0.00 H new ATOM 1943 N LEU B 677 3.531 6.365 7.108 1.00 0.00 N ATOM 1944 CA LEU B 677 4.552 5.426 6.688 1.00 0.00 C ATOM 1945 C LEU B 677 5.927 6.023 6.920 1.00 0.00 C ATOM 1946 O LEU B 677 6.179 7.181 6.578 1.00 0.00 O ATOM 1947 CB LEU B 677 4.404 5.067 5.219 1.00 0.00 C ATOM 1948 CG LEU B 677 5.430 4.055 4.721 1.00 0.00 C ATOM 1949 CD1 LEU B 677 5.125 2.670 5.266 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.471 4.047 3.215 1.00 0.00 C ATOM 0 H LEU B 677 2.973 6.750 6.346 1.00 0.00 H new ATOM 0 HA LEU B 677 4.434 4.518 7.279 1.00 0.00 H new ATOM 0 HB2 LEU B 677 3.404 4.667 5.052 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.487 5.976 4.623 1.00 0.00 H new ATOM 0 HG LEU B 677 6.414 4.349 5.086 1.00 0.00 H new ATOM 0 HD11 LEU B 677 5.869 1.963 4.899 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.153 2.693 6.355 1.00 0.00 H new ATOM 0 HD13 LEU B 677 4.134 2.359 4.935 1.00 0.00 H new ATOM 0 HD21 LEU B 677 6.208 3.320 2.875 1.00 0.00 H new ATOM 0 HD22 LEU B 677 4.489 3.778 2.826 1.00 0.00 H new ATOM 0 HD23 LEU B 677 5.745 5.038 2.853 1.00 0.00 H new ATOM 1962 N SER B 678 6.808 5.234 7.498 1.00 0.00 N ATOM 1963 CA SER B 678 8.133 5.703 7.847 1.00 0.00 C ATOM 1964 C SER B 678 9.147 4.577 7.722 1.00 0.00 C ATOM 1965 O SER B 678 8.782 3.401 7.670 1.00 0.00 O ATOM 1966 CB SER B 678 8.131 6.255 9.274 1.00 0.00 C ATOM 1967 OG SER B 678 7.172 7.292 9.424 1.00 0.00 O ATOM 0 H SER B 678 6.629 4.259 7.737 1.00 0.00 H new ATOM 0 HA SER B 678 8.415 6.499 7.158 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.914 5.451 9.977 1.00 0.00 H new ATOM 0 HB3 SER B 678 9.122 6.635 9.521 1.00 0.00 H new ATOM 0 HG SER B 678 7.191 7.625 10.346 1.00 0.00 H new ATOM 1973 N VAL B 679 10.416 4.950 7.652 1.00 0.00 N ATOM 1974 CA VAL B 679 11.501 3.995 7.589 1.00 0.00 C ATOM 1975 C VAL B 679 11.414 2.984 8.736 1.00 0.00 C ATOM 1976 O VAL B 679 11.262 3.350 9.902 1.00 0.00 O ATOM 1977 CB VAL B 679 12.861 4.732 7.565 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.867 5.907 8.531 1.00 0.00 C ATOM 1979 CG2 VAL B 679 14.015 3.790 7.857 1.00 0.00 C ATOM 0 H VAL B 679 10.718 5.924 7.638 1.00 0.00 H new ATOM 0 HA VAL B 679 11.415 3.427 6.663 1.00 0.00 H new ATOM 0 HB VAL B 679 12.999 5.120 6.556 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.836 6.405 8.492 1.00 0.00 H new ATOM 0 HG12 VAL B 679 12.085 6.612 8.251 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.685 5.547 9.543 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.953 4.345 7.831 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.882 3.347 8.844 1.00 0.00 H new ATOM 0 HG23 VAL B 679 14.039 3.001 7.106 1.00 0.00 H new ATOM 1989 N GLY B 680 11.496 1.708 8.380 1.00 0.00 N ATOM 1990 CA GLY B 680 11.253 0.638 9.327 1.00 0.00 C ATOM 1991 C GLY B 680 9.983 -0.131 9.016 1.00 0.00 C ATOM 1992 O GLY B 680 9.780 -1.234 9.522 1.00 0.00 O ATOM 0 H GLY B 680 11.730 1.393 7.438 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.100 -0.048 9.322 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.186 1.054 10.332 1.00 0.00 H new ATOM 1996 N ASP B 681 9.121 0.445 8.185 1.00 0.00 N ATOM 1997 CA ASP B 681 7.850 -0.193 7.852 1.00 0.00 C ATOM 1998 C ASP B 681 7.961 -0.995 6.562 1.00 0.00 C ATOM 1999 O ASP B 681 7.922 -0.436 5.467 1.00 0.00 O ATOM 2000 CB ASP B 681 6.726 0.835 7.701 1.00 0.00 C ATOM 2001 CG ASP B 681 6.418 1.598 8.978 1.00 0.00 C ATOM 2002 OD1 ASP B 681 6.670 1.059 10.079 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 5.921 2.742 8.888 1.00 0.00 O ATOM 0 H ASP B 681 9.276 1.346 7.732 1.00 0.00 H new ATOM 0 HA ASP B 681 7.610 -0.863 8.678 1.00 0.00 H new ATOM 0 HB2 ASP B 681 6.999 1.546 6.921 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.823 0.325 7.366 1.00 0.00 H new ATOM 2008 N VAL B 682 8.074 -2.306 6.683 1.00 0.00 N ATOM 2009 CA VAL B 682 8.193 -3.155 5.508 1.00 0.00 C ATOM 2010 C VAL B 682 6.873 -3.230 4.748 1.00 0.00 C ATOM 2011 O VAL B 682 5.914 -3.848 5.191 1.00 0.00 O ATOM 2012 CB VAL B 682 8.735 -4.567 5.866 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.321 -4.987 7.252 1.00 0.00 C ATOM 2014 CG2 VAL B 682 8.307 -5.614 4.852 1.00 0.00 C ATOM 0 H VAL B 682 8.086 -2.803 7.573 1.00 0.00 H new ATOM 0 HA VAL B 682 8.927 -2.696 4.846 1.00 0.00 H new ATOM 0 HB VAL B 682 9.822 -4.495 5.839 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.719 -5.979 7.466 1.00 0.00 H new ATOM 0 HG12 VAL B 682 8.711 -4.275 7.980 1.00 0.00 H new ATOM 0 HG13 VAL B 682 7.233 -5.011 7.315 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.708 -6.586 5.141 1.00 0.00 H new ATOM 0 HG22 VAL B 682 7.219 -5.665 4.819 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.687 -5.343 3.867 1.00 0.00 H new ATOM 2024 N CYS B 683 6.841 -2.585 3.592 1.00 0.00 N ATOM 2025 CA CYS B 683 5.609 -2.425 2.840 1.00 0.00 C ATOM 2026 C CYS B 683 5.235 -3.690 2.095 1.00 0.00 C ATOM 2027 O CYS B 683 6.095 -4.486 1.707 1.00 0.00 O ATOM 2028 CB CYS B 683 5.733 -1.253 1.867 1.00 0.00 C ATOM 2029 SG CYS B 683 5.794 0.355 2.688 1.00 0.00 S ATOM 0 H CYS B 683 7.659 -2.162 3.154 1.00 0.00 H new ATOM 0 HA CYS B 683 4.812 -2.217 3.553 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.634 -1.381 1.268 1.00 0.00 H new ATOM 0 HB3 CYS B 683 4.888 -1.270 1.179 1.00 0.00 H new ATOM 0 HG CYS B 683 6.816 1.028 2.249 1.00 0.00 H new ATOM 2035 N ILE B 684 3.937 -3.866 1.920 1.00 0.00 N ATOM 2036 CA ILE B 684 3.401 -4.986 1.184 1.00 0.00 C ATOM 2037 C ILE B 684 3.439 -4.698 -0.308 1.00 0.00 C ATOM 2038 O ILE B 684 2.734 -3.809 -0.789 1.00 0.00 O ATOM 2039 CB ILE B 684 1.930 -5.261 1.572 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.820 -5.745 3.015 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.299 -6.269 0.620 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.390 -5.838 3.503 1.00 0.00 C ATOM 0 H ILE B 684 3.227 -3.232 2.287 1.00 0.00 H new ATOM 0 HA ILE B 684 4.013 -5.854 1.427 1.00 0.00 H new ATOM 0 HB ILE B 684 1.384 -4.321 1.490 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.291 -6.724 3.100 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.375 -5.067 3.663 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.264 -6.447 0.912 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.327 -5.876 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.854 -7.206 0.662 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.380 -6.188 4.535 1.00 0.00 H new ATOM 0 HD12 ILE B 684 -0.078 -4.855 3.448 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.163 -6.538 2.877 1.00 0.00 H new ATOM 2054 N SER B 685 4.266 -5.416 -1.036 1.00 0.00 N ATOM 2055 CA SER B 685 4.182 -5.372 -2.476 1.00 0.00 C ATOM 2056 C SER B 685 3.291 -6.506 -2.931 1.00 0.00 C ATOM 2057 O SER B 685 3.566 -7.671 -2.651 1.00 0.00 O ATOM 2058 CB SER B 685 5.555 -5.490 -3.132 1.00 0.00 C ATOM 2059 OG SER B 685 5.463 -5.270 -4.529 1.00 0.00 O ATOM 0 H SER B 685 4.992 -6.027 -0.661 1.00 0.00 H new ATOM 0 HA SER B 685 3.768 -4.409 -2.776 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.239 -4.766 -2.689 1.00 0.00 H new ATOM 0 HB3 SER B 685 5.971 -6.479 -2.941 1.00 0.00 H new ATOM 0 HG SER B 685 6.207 -4.703 -4.821 1.00 0.00 H new ATOM 2065 N LEU B 686 2.208 -6.178 -3.598 1.00 0.00 N ATOM 2066 CA LEU B 686 1.317 -7.200 -4.071 1.00 0.00 C ATOM 2067 C LEU B 686 1.674 -7.548 -5.498 1.00 0.00 C ATOM 2068 O LEU B 686 1.663 -6.692 -6.379 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.131 -6.725 -3.977 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.139 -7.784 -3.535 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.207 -8.927 -4.532 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.782 -8.307 -2.153 1.00 0.00 C ATOM 0 H LEU B 686 1.929 -5.222 -3.821 1.00 0.00 H new ATOM 0 HA LEU B 686 1.420 -8.090 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.177 -5.889 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.435 -6.343 -4.952 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.123 -7.317 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.933 -9.665 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.511 -8.543 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.226 -9.395 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.509 -9.061 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.213 -8.751 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.794 -7.484 -1.438 1.00 0.00 H new ATOM 2084 N THR B 687 2.014 -8.797 -5.718 1.00 0.00 N ATOM 2085 CA THR B 687 2.340 -9.257 -7.038 1.00 0.00 C ATOM 2086 C THR B 687 1.130 -9.951 -7.642 1.00 0.00 C ATOM 2087 O THR B 687 0.642 -10.953 -7.113 1.00 0.00 O ATOM 2088 CB THR B 687 3.541 -10.214 -6.987 1.00 0.00 C ATOM 2089 OG1 THR B 687 4.668 -9.548 -6.396 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.901 -10.709 -8.373 1.00 0.00 C ATOM 0 H THR B 687 2.071 -9.512 -4.993 1.00 0.00 H new ATOM 0 HA THR B 687 2.611 -8.405 -7.662 1.00 0.00 H new ATOM 0 HB THR B 687 3.268 -11.076 -6.378 1.00 0.00 H new ATOM 0 HG1 THR B 687 5.431 -10.162 -6.364 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.754 -11.384 -8.308 1.00 0.00 H new ATOM 0 HG22 THR B 687 3.051 -11.239 -8.802 1.00 0.00 H new ATOM 0 HG23 THR B 687 4.158 -9.860 -9.007 1.00 0.00 H new ATOM 2098 N LEU B 688 0.638 -9.395 -8.735 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.549 -9.907 -9.388 1.00 0.00 C ATOM 2100 C LEU B 688 -0.208 -10.464 -10.756 1.00 0.00 C ATOM 2101 O LEU B 688 0.373 -9.774 -11.594 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.611 -8.810 -9.495 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.594 -8.749 -8.323 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -2.707 -7.337 -7.770 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -3.955 -9.255 -8.767 1.00 0.00 C ATOM 0 H LEU B 688 1.049 -8.580 -9.191 1.00 0.00 H new ATOM 0 HA LEU B 688 -0.954 -10.720 -8.785 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.110 -7.846 -9.580 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.175 -8.959 -10.416 1.00 0.00 H new ATOM 0 HG LEU B 688 -2.216 -9.388 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -3.412 -7.327 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -1.730 -7.004 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.060 -6.667 -8.554 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -4.651 -9.210 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -4.326 -8.633 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -3.866 -10.286 -9.109 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.547 -11.723 -10.958 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.293 -12.402 -12.206 1.00 0.00 C ATOM 2119 C LYS B 689 -1.322 -12.008 -13.259 1.00 0.00 C ATOM 2120 O LYS B 689 -2.489 -12.442 -13.150 1.00 0.00 O ATOM 2121 CB LYS B 689 -0.285 -13.903 -11.968 1.00 0.00 C ATOM 2122 CG LYS B 689 0.998 -14.405 -11.333 1.00 0.00 C ATOM 2123 CD LYS B 689 2.232 -14.021 -12.139 1.00 0.00 C ATOM 2124 CE LYS B 689 2.906 -12.778 -11.575 1.00 0.00 C ATOM 2125 NZ LYS B 689 4.299 -12.622 -12.076 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -0.960 -11.261 -14.192 1.00 0.00 O ATOM 0 H LYS B 689 -1.008 -12.302 -10.256 1.00 0.00 H new ATOM 0 HA LYS B 689 0.683 -12.103 -12.587 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -1.126 -14.166 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.436 -14.415 -12.918 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.085 -13.999 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS B 689 0.953 -15.490 -11.237 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.939 -14.850 -12.140 1.00 0.00 H new ATOM 0 HD3 LYS B 689 1.949 -13.843 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS B 689 2.324 -11.897 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS B 689 2.917 -12.834 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.721 -11.764 -11.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 4.863 -13.451 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.288 -12.543 -13.113 1.00 0.00 H new TER 2140 LYS B 689