USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 639 MET CE :methyl 154:sc= -0.795 (180deg=-1.9!) USER MOD Set 1.2: A 656 LYS NZ :NH3+ 163:sc= 0.641 (180deg=1.02) USER MOD Single : A 589 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0227) USER MOD Single : A 592 HIS : no HE2:sc= 0.046 K(o=0.046,f=-0.63) USER MOD Single : A 594 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.074) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 597 GLN :FLIP amide:sc= -0.0774 F(o=-1,f=-0.077) USER MOD Single : A 601 SER OG : rot 8:sc= 0.0855 USER MOD Single : A 602 HIS : no HD1:sc=-0.00402 X(o=-0.004,f=0) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN :FLIP amide:sc= -0.08 F(o=-2.4,f=-0.08) USER MOD Single : A 614 THR OG1 : rot 43:sc= 0.054 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl 133:sc= -0.52 (180deg=-0.817) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 631 TYR OH : rot 30:sc= -0.0691 USER MOD Single : A 633 LYS NZ :NH3+ 160:sc= -0.0512 (180deg=-0.339) USER MOD Single : A 634 LYS NZ :NH3+ -143:sc= -1.55 (180deg=-3.11!) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 166:sc= -0.895 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0704 F(o=-1.2!,f=-0.07) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 80:sc= -0.186 USER MOD Single : A 650 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN :FLIP amide:sc= -0.0146 F(o=-1.7!,f=-0.015) USER MOD Single : A 662 LYS NZ :NH3+ -107:sc= 1.09 (180deg=-0.612) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0.975 (180deg=0.975) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : B 843 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 847 SER OG : rot 180:sc= 0.00255 USER MOD Single : B 850 MET CE :methyl -128:sc= -1.63 (180deg=-3.45!) USER MOD Single : B 855 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00969) USER MOD Single : B 856 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 30.694 5.458 -0.521 1.00 0.00 N ATOM 2 CA GLY A 586 29.789 4.402 -0.129 1.00 0.00 C ATOM 3 C GLY A 586 29.396 4.495 1.326 1.00 0.00 C ATOM 4 O GLY A 586 30.011 5.225 2.109 1.00 0.00 O ATOM 0 HA2 GLY A 586 28.893 4.446 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 586 30.259 3.436 -0.315 1.00 0.00 H new ATOM 8 N VAL A 587 28.370 3.755 1.690 1.00 0.00 N ATOM 9 CA VAL A 587 27.863 3.761 3.047 1.00 0.00 C ATOM 10 C VAL A 587 27.994 2.376 3.670 1.00 0.00 C ATOM 11 O VAL A 587 28.189 1.385 2.964 1.00 0.00 O ATOM 12 CB VAL A 587 26.386 4.205 3.082 1.00 0.00 C ATOM 13 CG1 VAL A 587 26.259 5.671 2.694 1.00 0.00 C ATOM 14 CG2 VAL A 587 25.539 3.336 2.163 1.00 0.00 C ATOM 0 H VAL A 587 27.865 3.135 1.057 1.00 0.00 H new ATOM 0 HA VAL A 587 28.456 4.472 3.622 1.00 0.00 H new ATOM 0 HB VAL A 587 26.019 4.084 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 587 25.210 5.966 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 587 26.828 6.283 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 587 26.647 5.816 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 587 24.501 3.667 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 587 25.907 3.421 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 587 25.601 2.297 2.486 1.00 0.00 H new ATOM 24 N ARG A 588 27.903 2.313 4.991 1.00 0.00 N ATOM 25 CA ARG A 588 27.971 1.034 5.692 1.00 0.00 C ATOM 26 C ARG A 588 26.653 0.282 5.545 1.00 0.00 C ATOM 27 O ARG A 588 26.602 -0.940 5.683 1.00 0.00 O ATOM 28 CB ARG A 588 28.356 1.218 7.182 1.00 0.00 C ATOM 29 CG ARG A 588 27.403 2.074 8.024 1.00 0.00 C ATOM 30 CD ARG A 588 26.146 1.320 8.435 1.00 0.00 C ATOM 31 NE ARG A 588 25.257 2.149 9.246 1.00 0.00 N ATOM 32 CZ ARG A 588 24.151 1.703 9.839 1.00 0.00 C ATOM 33 NH1 ARG A 588 23.770 0.440 9.689 1.00 0.00 N ATOM 34 NH2 ARG A 588 23.420 2.530 10.575 1.00 0.00 N ATOM 0 H ARG A 588 27.783 3.125 5.597 1.00 0.00 H new ATOM 0 HA ARG A 588 28.760 0.437 5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 588 28.429 0.232 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 588 29.349 1.665 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 588 27.924 2.419 8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 588 27.121 2.961 7.457 1.00 0.00 H new ATOM 0 HD2 ARG A 588 25.616 0.983 7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 588 26.424 0.428 8.997 1.00 0.00 H new ATOM 0 HE ARG A 588 25.499 3.133 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 588 24.326 -0.196 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 588 22.922 0.105 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 588 23.706 3.503 10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 588 22.572 2.193 11.031 1.00 0.00 H new ATOM 48 N LYS A 589 25.586 1.022 5.269 1.00 0.00 N ATOM 49 CA LYS A 589 24.288 0.425 5.033 1.00 0.00 C ATOM 50 C LYS A 589 24.142 0.065 3.548 1.00 0.00 C ATOM 51 O LYS A 589 23.295 0.589 2.825 1.00 0.00 O ATOM 52 CB LYS A 589 23.204 1.418 5.511 1.00 0.00 C ATOM 53 CG LYS A 589 23.060 2.679 4.664 1.00 0.00 C ATOM 54 CD LYS A 589 22.111 3.676 5.311 1.00 0.00 C ATOM 55 CE LYS A 589 21.977 4.945 4.484 1.00 0.00 C ATOM 56 NZ LYS A 589 21.239 4.711 3.216 1.00 0.00 N ATOM 0 H LYS A 589 25.600 2.040 5.204 1.00 0.00 H new ATOM 0 HA LYS A 589 24.175 -0.503 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 589 22.244 0.902 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 589 23.430 1.712 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 589 24.038 3.141 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 589 22.691 2.414 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 589 21.130 3.217 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 589 22.473 3.928 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 589 21.460 5.705 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 589 22.969 5.337 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 21.097 5.617 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 21.788 4.070 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 20.315 4.283 3.426 1.00 0.00 H new ATOM 70 N GLY A 590 24.956 -0.884 3.113 1.00 0.00 N ATOM 71 CA GLY A 590 25.020 -1.234 1.712 1.00 0.00 C ATOM 72 C GLY A 590 24.044 -2.326 1.327 1.00 0.00 C ATOM 73 O GLY A 590 24.246 -3.011 0.322 1.00 0.00 O ATOM 0 H GLY A 590 25.580 -1.423 3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 590 24.818 -0.346 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 590 26.032 -1.558 1.471 1.00 0.00 H new ATOM 77 N TRP A 591 22.986 -2.510 2.109 1.00 0.00 N ATOM 78 CA TRP A 591 22.009 -3.532 1.783 1.00 0.00 C ATOM 79 C TRP A 591 20.989 -2.998 0.784 1.00 0.00 C ATOM 80 O TRP A 591 20.825 -3.540 -0.308 1.00 0.00 O ATOM 81 CB TRP A 591 21.267 -4.064 3.015 1.00 0.00 C ATOM 82 CG TRP A 591 21.602 -3.429 4.334 1.00 0.00 C ATOM 83 CD1 TRP A 591 22.439 -3.926 5.293 1.00 0.00 C ATOM 84 CD2 TRP A 591 21.065 -2.210 4.864 1.00 0.00 C ATOM 85 NE1 TRP A 591 22.440 -3.100 6.389 1.00 0.00 N ATOM 86 CE2 TRP A 591 21.610 -2.036 6.148 1.00 0.00 C ATOM 87 CE3 TRP A 591 20.171 -1.252 4.378 1.00 0.00 C ATOM 88 CZ2 TRP A 591 21.289 -0.940 6.951 1.00 0.00 C ATOM 89 CZ3 TRP A 591 19.858 -0.168 5.172 1.00 0.00 C ATOM 90 CH2 TRP A 591 20.414 -0.019 6.446 1.00 0.00 C ATOM 0 H TRP A 591 22.788 -1.975 2.955 1.00 0.00 H new ATOM 0 HA TRP A 591 22.570 -4.359 1.347 1.00 0.00 H new ATOM 0 HB2 TRP A 591 20.197 -3.947 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 591 21.462 -5.133 3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 591 23.015 -4.835 5.202 1.00 0.00 H new ATOM 0 HE1 TRP A 591 22.973 -3.253 7.245 1.00 0.00 H new ATOM 0 HE3 TRP A 591 19.732 -1.359 3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 21.717 -0.824 7.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 19.171 0.579 4.803 1.00 0.00 H new ATOM 0 HH2 TRP A 591 20.147 0.841 7.043 1.00 0.00 H new ATOM 101 N HIS A 592 20.311 -1.925 1.160 1.00 0.00 N ATOM 102 CA HIS A 592 19.211 -1.395 0.371 1.00 0.00 C ATOM 103 C HIS A 592 19.671 -0.288 -0.565 1.00 0.00 C ATOM 104 O HIS A 592 18.847 0.334 -1.222 1.00 0.00 O ATOM 105 CB HIS A 592 18.086 -0.880 1.272 1.00 0.00 C ATOM 106 CG HIS A 592 17.303 -1.964 1.948 1.00 0.00 C ATOM 107 ND1 HIS A 592 17.160 -2.054 3.315 1.00 0.00 N ATOM 108 CD2 HIS A 592 16.595 -2.996 1.431 1.00 0.00 C ATOM 109 CE1 HIS A 592 16.401 -3.090 3.609 1.00 0.00 C ATOM 110 NE2 HIS A 592 16.043 -3.681 2.486 1.00 0.00 N ATOM 0 H HIS A 592 20.506 -1.401 2.013 1.00 0.00 H new ATOM 0 HA HIS A 592 18.830 -2.217 -0.235 1.00 0.00 H new ATOM 0 HB2 HIS A 592 18.514 -0.226 2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 592 17.406 -0.272 0.675 1.00 0.00 H new ATOM 0 HD1 HIS A 592 17.577 -1.417 3.994 1.00 0.00 H new ATOM 0 HD2 HIS A 592 16.485 -3.236 0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 592 16.119 -3.403 4.604 1.00 0.00 H new ATOM 119 N GLU A 593 20.979 -0.027 -0.613 1.00 0.00 N ATOM 120 CA GLU A 593 21.501 1.113 -1.365 1.00 0.00 C ATOM 121 C GLU A 593 21.080 1.072 -2.837 1.00 0.00 C ATOM 122 O GLU A 593 20.850 2.114 -3.446 1.00 0.00 O ATOM 123 CB GLU A 593 23.027 1.191 -1.249 1.00 0.00 C ATOM 124 CG GLU A 593 23.764 0.018 -1.873 1.00 0.00 C ATOM 125 CD GLU A 593 25.255 0.260 -1.972 1.00 0.00 C ATOM 126 OE1 GLU A 593 25.705 0.819 -2.996 1.00 0.00 O ATOM 127 OE2 GLU A 593 25.989 -0.106 -1.036 1.00 0.00 O ATOM 0 H GLU A 593 21.691 -0.586 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 593 21.068 2.011 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.369 2.112 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.296 1.255 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 593 23.583 -0.878 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 593 23.363 -0.172 -2.868 1.00 0.00 H new ATOM 134 N HIS A 594 20.974 -0.128 -3.409 1.00 0.00 N ATOM 135 CA HIS A 594 20.493 -0.278 -4.788 1.00 0.00 C ATOM 136 C HIS A 594 18.979 -0.060 -4.902 1.00 0.00 C ATOM 137 O HIS A 594 18.359 -0.453 -5.890 1.00 0.00 O ATOM 138 CB HIS A 594 20.882 -1.652 -5.365 1.00 0.00 C ATOM 139 CG HIS A 594 20.460 -2.828 -4.530 1.00 0.00 C ATOM 140 ND1 HIS A 594 21.361 -3.664 -3.906 1.00 0.00 N ATOM 141 CD2 HIS A 594 19.232 -3.318 -4.233 1.00 0.00 C ATOM 142 CE1 HIS A 594 20.709 -4.612 -3.263 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.418 -4.423 -3.443 1.00 0.00 N ATOM 0 H HIS A 594 21.212 -1.005 -2.946 1.00 0.00 H new ATOM 0 HA HIS A 594 20.981 0.499 -5.376 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.441 -1.752 -6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.964 -1.684 -5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 594 18.285 -2.914 -4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 594 21.157 -5.408 -2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 594 18.675 -5.006 -3.056 1.00 0.00 H new ATOM 152 N VAL A 595 18.392 0.547 -3.882 1.00 0.00 N ATOM 153 CA VAL A 595 17.001 0.967 -3.921 1.00 0.00 C ATOM 154 C VAL A 595 16.921 2.447 -3.585 1.00 0.00 C ATOM 155 O VAL A 595 17.530 2.903 -2.616 1.00 0.00 O ATOM 156 CB VAL A 595 16.132 0.193 -2.905 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.705 0.734 -2.878 1.00 0.00 C ATOM 158 CG2 VAL A 595 16.128 -1.298 -3.197 1.00 0.00 C ATOM 0 H VAL A 595 18.866 0.762 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 595 16.623 0.764 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 595 16.576 0.342 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.116 0.171 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.720 1.786 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.258 0.632 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.507 -1.811 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.728 -1.472 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 595 17.147 -1.682 -3.142 1.00 0.00 H new ATOM 168 N THR A 596 16.191 3.199 -4.384 1.00 0.00 N ATOM 169 CA THR A 596 15.973 4.601 -4.099 1.00 0.00 C ATOM 170 C THR A 596 14.674 4.798 -3.318 1.00 0.00 C ATOM 171 O THR A 596 13.761 3.972 -3.397 1.00 0.00 O ATOM 172 CB THR A 596 15.961 5.425 -5.409 1.00 0.00 C ATOM 173 OG1 THR A 596 15.521 6.770 -5.170 1.00 0.00 O ATOM 174 CG2 THR A 596 15.076 4.768 -6.458 1.00 0.00 C ATOM 0 H THR A 596 15.740 2.862 -5.235 1.00 0.00 H new ATOM 0 HA THR A 596 16.796 4.959 -3.480 1.00 0.00 H new ATOM 0 HB THR A 596 16.984 5.456 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.524 7.270 -6.013 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.085 5.367 -7.369 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.452 3.769 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.056 4.697 -6.081 1.00 0.00 H new ATOM 182 N GLN A 597 14.597 5.886 -2.561 1.00 0.00 N ATOM 183 CA GLN A 597 13.404 6.208 -1.789 1.00 0.00 C ATOM 184 C GLN A 597 12.219 6.383 -2.729 1.00 0.00 C ATOM 185 O GLN A 597 11.097 5.982 -2.420 1.00 0.00 O ATOM 186 CB GLN A 597 13.620 7.479 -0.964 1.00 0.00 C ATOM 187 CG GLN A 597 12.446 7.832 -0.059 1.00 0.00 C ATOM 188 CD GLN A 597 12.189 6.790 1.018 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.247 6.159 1.507 1.00 0.00 O flip ATOM 190 NE2 GLN A 597 11.048 6.569 1.424 1.00 0.00 N flip ATOM 0 H GLN A 597 15.353 6.564 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 597 13.198 5.388 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.514 7.356 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 597 13.808 8.312 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.636 8.795 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.548 7.947 -0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 597 10.257 7.074 1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 597 10.893 5.881 2.161 1.00 0.00 H new ATOM 199 N ASP A 598 12.495 6.986 -3.881 1.00 0.00 N ATOM 200 CA ASP A 598 11.477 7.219 -4.898 1.00 0.00 C ATOM 201 C ASP A 598 10.800 5.906 -5.287 1.00 0.00 C ATOM 202 O ASP A 598 9.583 5.861 -5.468 1.00 0.00 O ATOM 203 CB ASP A 598 12.080 7.894 -6.133 1.00 0.00 C ATOM 204 CG ASP A 598 11.029 8.266 -7.161 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.260 9.221 -6.912 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.966 7.612 -8.224 1.00 0.00 O ATOM 0 H ASP A 598 13.423 7.324 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 598 10.726 7.888 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.618 8.791 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.810 7.225 -6.589 1.00 0.00 H new ATOM 211 N LEU A 599 11.592 4.837 -5.395 1.00 0.00 N ATOM 212 CA LEU A 599 11.062 3.510 -5.672 1.00 0.00 C ATOM 213 C LEU A 599 10.012 3.118 -4.631 1.00 0.00 C ATOM 214 O LEU A 599 8.920 2.667 -4.977 1.00 0.00 O ATOM 215 CB LEU A 599 12.193 2.470 -5.683 1.00 0.00 C ATOM 216 CG LEU A 599 11.803 1.126 -6.291 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.532 1.301 -7.769 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.889 0.089 -6.056 1.00 0.00 C ATOM 0 H LEU A 599 12.606 4.870 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 599 10.591 3.534 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.038 2.876 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.532 2.308 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 599 10.896 0.766 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.253 0.341 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.718 2.012 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.429 1.676 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.587 -0.860 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.818 0.425 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.041 -0.042 -4.985 1.00 0.00 H new ATOM 230 N ARG A 600 10.350 3.313 -3.361 1.00 0.00 N ATOM 231 CA ARG A 600 9.441 2.994 -2.264 1.00 0.00 C ATOM 232 C ARG A 600 8.160 3.814 -2.362 1.00 0.00 C ATOM 233 O ARG A 600 7.062 3.266 -2.323 1.00 0.00 O ATOM 234 CB ARG A 600 10.118 3.251 -0.915 1.00 0.00 C ATOM 235 CG ARG A 600 11.254 2.291 -0.613 1.00 0.00 C ATOM 236 CD ARG A 600 12.029 2.713 0.626 1.00 0.00 C ATOM 237 NE ARG A 600 11.192 2.778 1.827 1.00 0.00 N ATOM 238 CZ ARG A 600 11.674 3.002 3.050 1.00 0.00 C ATOM 239 NH1 ARG A 600 12.973 3.212 3.224 1.00 0.00 N ATOM 240 NH2 ARG A 600 10.860 3.023 4.095 1.00 0.00 N ATOM 0 H ARG A 600 11.249 3.692 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 600 9.185 1.937 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.501 4.271 -0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.372 3.178 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.854 1.287 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 600 11.929 2.245 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 600 12.845 2.010 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.481 3.689 0.451 1.00 0.00 H new ATOM 0 HE ARG A 600 10.186 2.645 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 600 13.603 3.202 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 600 13.341 3.383 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 600 9.860 2.867 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 600 11.233 3.195 5.029 1.00 0.00 H new ATOM 254 N SER A 601 8.309 5.122 -2.534 1.00 0.00 N ATOM 255 CA SER A 601 7.165 6.019 -2.603 1.00 0.00 C ATOM 256 C SER A 601 6.278 5.688 -3.805 1.00 0.00 C ATOM 257 O SER A 601 5.049 5.761 -3.722 1.00 0.00 O ATOM 258 CB SER A 601 7.632 7.475 -2.651 1.00 0.00 C ATOM 259 OG SER A 601 8.627 7.667 -3.644 1.00 0.00 O ATOM 0 H SER A 601 9.213 5.584 -2.628 1.00 0.00 H new ATOM 0 HA SER A 601 6.566 5.880 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.781 8.125 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.027 7.764 -1.677 1.00 0.00 H new ATOM 0 HG SER A 601 8.721 6.849 -4.175 1.00 0.00 H new ATOM 265 N HIS A 602 6.910 5.333 -4.923 1.00 0.00 N ATOM 266 CA HIS A 602 6.185 4.951 -6.132 1.00 0.00 C ATOM 267 C HIS A 602 5.221 3.807 -5.826 1.00 0.00 C ATOM 268 O HIS A 602 4.039 3.857 -6.179 1.00 0.00 O ATOM 269 CB HIS A 602 7.163 4.527 -7.235 1.00 0.00 C ATOM 270 CG HIS A 602 6.560 4.534 -8.606 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.608 3.453 -9.455 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.909 5.510 -9.278 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.012 3.762 -10.592 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.579 5.005 -10.508 1.00 0.00 N ATOM 0 H HIS A 602 7.925 5.302 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 602 5.617 5.814 -6.481 1.00 0.00 H new ATOM 0 HB2 HIS A 602 8.024 5.195 -7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.534 3.526 -7.015 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.690 6.503 -8.913 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.899 3.109 -11.445 1.00 0.00 H new ATOM 0 HE2 HIS A 602 5.079 5.509 -11.241 1.00 0.00 H new ATOM 283 N LEU A 603 5.739 2.790 -5.149 1.00 0.00 N ATOM 284 CA LEU A 603 4.952 1.630 -4.747 1.00 0.00 C ATOM 285 C LEU A 603 3.870 2.017 -3.743 1.00 0.00 C ATOM 286 O LEU A 603 2.755 1.497 -3.792 1.00 0.00 O ATOM 287 CB LEU A 603 5.858 0.544 -4.167 1.00 0.00 C ATOM 288 CG LEU A 603 7.026 0.141 -5.074 1.00 0.00 C ATOM 289 CD1 LEU A 603 7.994 -0.764 -4.336 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.512 -0.547 -6.329 1.00 0.00 C ATOM 0 H LEU A 603 6.717 2.746 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 603 4.458 1.235 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.257 0.892 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.256 -0.340 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 603 7.558 1.047 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.815 -1.037 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.390 -0.241 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.474 -1.666 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.354 -0.826 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.954 -1.441 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.858 0.133 -6.875 1.00 0.00 H new ATOM 302 N VAL A 604 4.201 2.938 -2.843 1.00 0.00 N ATOM 303 CA VAL A 604 3.264 3.380 -1.812 1.00 0.00 C ATOM 304 C VAL A 604 2.033 4.009 -2.453 1.00 0.00 C ATOM 305 O VAL A 604 0.899 3.712 -2.079 1.00 0.00 O ATOM 306 CB VAL A 604 3.909 4.406 -0.854 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.865 5.018 0.067 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.012 3.758 -0.038 1.00 0.00 C ATOM 0 H VAL A 604 5.112 3.394 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 604 2.979 2.499 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 604 4.345 5.202 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.343 5.737 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.106 5.524 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.397 4.232 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.453 4.498 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.597 2.940 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.780 3.370 -0.707 1.00 0.00 H new ATOM 318 N HIS A 605 2.270 4.872 -3.431 1.00 0.00 N ATOM 319 CA HIS A 605 1.185 5.523 -4.158 1.00 0.00 C ATOM 320 C HIS A 605 0.352 4.495 -4.911 1.00 0.00 C ATOM 321 O HIS A 605 -0.864 4.635 -5.013 1.00 0.00 O ATOM 322 CB HIS A 605 1.705 6.609 -5.106 1.00 0.00 C ATOM 323 CG HIS A 605 2.265 7.799 -4.384 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.577 8.204 -4.492 1.00 0.00 N ATOM 325 CD2 HIS A 605 1.673 8.672 -3.534 1.00 0.00 C ATOM 326 CE1 HIS A 605 3.768 9.271 -3.735 1.00 0.00 C ATOM 327 NE2 HIS A 605 2.629 9.575 -3.146 1.00 0.00 N ATOM 0 H HIS A 605 3.204 5.139 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 605 0.546 6.015 -3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.477 6.184 -5.748 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.893 6.935 -5.757 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.640 8.659 -3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.700 9.804 -3.619 1.00 0.00 H new ATOM 0 HE2 HIS A 605 2.482 10.355 -2.506 1.00 0.00 H new ATOM 336 N LYS A 606 1.011 3.474 -5.454 1.00 0.00 N ATOM 337 CA LYS A 606 0.308 2.373 -6.108 1.00 0.00 C ATOM 338 C LYS A 606 -0.604 1.653 -5.112 1.00 0.00 C ATOM 339 O LYS A 606 -1.729 1.279 -5.444 1.00 0.00 O ATOM 340 CB LYS A 606 1.298 1.383 -6.737 1.00 0.00 C ATOM 341 CG LYS A 606 0.625 0.173 -7.374 1.00 0.00 C ATOM 342 CD LYS A 606 1.588 -0.642 -8.230 1.00 0.00 C ATOM 343 CE LYS A 606 2.747 -1.207 -7.424 1.00 0.00 C ATOM 344 NZ LYS A 606 3.666 -2.010 -8.274 1.00 0.00 N ATOM 0 H LYS A 606 2.027 3.386 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.306 2.792 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.887 1.901 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 606 1.994 1.041 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 606 0.211 -0.463 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -0.211 0.507 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 606 1.045 -1.460 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 606 1.978 -0.014 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 606 3.300 -0.390 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 606 2.360 -1.829 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 4.444 -2.379 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 3.143 -2.803 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 4.054 -1.409 -9.029 1.00 0.00 H new ATOM 358 N LEU A 607 -0.115 1.468 -3.889 1.00 0.00 N ATOM 359 CA LEU A 607 -0.902 0.843 -2.830 1.00 0.00 C ATOM 360 C LEU A 607 -2.110 1.721 -2.497 1.00 0.00 C ATOM 361 O LEU A 607 -3.225 1.225 -2.331 1.00 0.00 O ATOM 362 CB LEU A 607 -0.019 0.613 -1.593 1.00 0.00 C ATOM 363 CG LEU A 607 -0.551 -0.386 -0.556 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.581 -0.856 0.339 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.650 0.236 0.291 1.00 0.00 C ATOM 0 H LEU A 607 0.826 1.743 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.270 -0.126 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.959 0.269 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.133 1.572 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.971 -1.238 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.195 -1.564 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.346 -1.341 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 607 1.016 -0.000 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.008 -0.495 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.256 1.106 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.475 0.543 -0.352 1.00 0.00 H new ATOM 377 N VAL A 608 -1.879 3.029 -2.413 1.00 0.00 N ATOM 378 CA VAL A 608 -2.960 3.999 -2.253 1.00 0.00 C ATOM 379 C VAL A 608 -3.951 3.881 -3.411 1.00 0.00 C ATOM 380 O VAL A 608 -5.163 3.832 -3.209 1.00 0.00 O ATOM 381 CB VAL A 608 -2.404 5.443 -2.199 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.524 6.473 -2.220 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.530 5.632 -0.968 1.00 0.00 C ATOM 0 H VAL A 608 -0.948 3.443 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.469 3.783 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.794 5.597 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.097 7.475 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.104 6.361 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.174 6.321 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.148 6.653 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.120 5.446 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.695 4.933 -1.004 1.00 0.00 H new ATOM 393 N GLN A 609 -3.405 3.818 -4.621 1.00 0.00 N ATOM 394 CA GLN A 609 -4.192 3.661 -5.839 1.00 0.00 C ATOM 395 C GLN A 609 -5.074 2.415 -5.764 1.00 0.00 C ATOM 396 O GLN A 609 -6.212 2.423 -6.231 1.00 0.00 O ATOM 397 CB GLN A 609 -3.258 3.601 -7.058 1.00 0.00 C ATOM 398 CG GLN A 609 -3.956 3.331 -8.377 1.00 0.00 C ATOM 399 CD GLN A 609 -3.661 1.947 -8.935 1.00 0.00 C ATOM 400 OE1 GLN A 609 -3.391 0.988 -8.061 1.00 0.00 O flip ATOM 401 NE2 GLN A 609 -3.667 1.743 -10.148 1.00 0.00 N flip ATOM 0 H GLN A 609 -2.400 3.875 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.851 4.523 -5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.720 4.546 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.513 2.823 -6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -5.032 3.440 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -3.649 4.083 -9.104 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -3.879 2.505 -10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -3.460 0.812 -10.510 1.00 0.00 H new ATOM 410 N ALA A 610 -4.533 1.344 -5.186 1.00 0.00 N ATOM 411 CA ALA A 610 -5.272 0.099 -5.023 1.00 0.00 C ATOM 412 C ALA A 610 -6.545 0.319 -4.210 1.00 0.00 C ATOM 413 O ALA A 610 -7.591 -0.253 -4.516 1.00 0.00 O ATOM 414 CB ALA A 610 -4.396 -0.960 -4.370 1.00 0.00 C ATOM 0 H ALA A 610 -3.581 1.316 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.562 -0.254 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.965 -1.883 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.523 -1.146 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.072 -0.610 -3.390 1.00 0.00 H new ATOM 420 N ILE A 611 -6.457 1.157 -3.178 1.00 0.00 N ATOM 421 CA ILE A 611 -7.607 1.423 -2.321 1.00 0.00 C ATOM 422 C ILE A 611 -8.511 2.479 -2.966 1.00 0.00 C ATOM 423 O ILE A 611 -9.738 2.393 -2.879 1.00 0.00 O ATOM 424 CB ILE A 611 -7.177 1.908 -0.877 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.336 0.849 -0.126 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.386 2.310 -0.027 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.394 1.441 0.902 1.00 0.00 C ATOM 0 H ILE A 611 -5.608 1.659 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.150 0.484 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.552 2.788 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.008 0.148 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.757 0.277 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -8.047 2.637 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.920 3.125 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.053 1.455 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.837 0.640 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.698 2.120 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.968 1.989 1.649 1.00 0.00 H new ATOM 439 N PHE A 612 -7.910 3.449 -3.650 1.00 0.00 N ATOM 440 CA PHE A 612 -8.650 4.577 -4.188 1.00 0.00 C ATOM 441 C PHE A 612 -7.855 5.196 -5.338 1.00 0.00 C ATOM 442 O PHE A 612 -6.899 5.936 -5.108 1.00 0.00 O ATOM 443 CB PHE A 612 -8.910 5.599 -3.070 1.00 0.00 C ATOM 444 CG PHE A 612 -10.051 6.545 -3.333 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.201 6.116 -3.981 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.975 7.865 -2.921 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.247 6.987 -4.213 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.020 8.739 -3.150 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.157 8.300 -3.798 1.00 0.00 C ATOM 0 H PHE A 612 -6.909 3.472 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.614 4.248 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.109 5.060 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.003 6.182 -2.911 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.279 5.089 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -9.088 8.215 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.136 6.641 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.947 9.765 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.974 8.982 -3.980 1.00 0.00 H new ATOM 459 N PRO A 613 -8.226 4.892 -6.596 1.00 0.00 N ATOM 460 CA PRO A 613 -7.412 5.271 -7.761 1.00 0.00 C ATOM 461 C PRO A 613 -7.495 6.760 -8.094 1.00 0.00 C ATOM 462 O PRO A 613 -6.533 7.343 -8.598 1.00 0.00 O ATOM 463 CB PRO A 613 -8.002 4.430 -8.903 1.00 0.00 C ATOM 464 CG PRO A 613 -9.408 4.120 -8.487 1.00 0.00 C ATOM 465 CD PRO A 613 -9.457 4.161 -6.975 1.00 0.00 C ATOM 0 HA PRO A 613 -6.352 5.090 -7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -7.983 4.979 -9.845 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.427 3.516 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.102 4.845 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.708 3.138 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.351 4.673 -6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.473 3.158 -6.549 1.00 0.00 H new ATOM 473 N THR A 614 -8.634 7.370 -7.818 1.00 0.00 N ATOM 474 CA THR A 614 -8.840 8.778 -8.117 1.00 0.00 C ATOM 475 C THR A 614 -8.309 9.673 -6.995 1.00 0.00 C ATOM 476 O THR A 614 -8.697 9.524 -5.834 1.00 0.00 O ATOM 477 CB THR A 614 -10.335 9.079 -8.351 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.121 8.431 -7.341 1.00 0.00 O ATOM 479 CG2 THR A 614 -10.774 8.603 -9.729 1.00 0.00 C ATOM 0 H THR A 614 -9.435 6.910 -7.385 1.00 0.00 H new ATOM 0 HA THR A 614 -8.284 8.996 -9.029 1.00 0.00 H new ATOM 0 HB THR A 614 -10.484 10.157 -8.296 1.00 0.00 H new ATOM 0 HG1 THR A 614 -10.689 8.543 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 614 -11.831 8.826 -9.871 1.00 0.00 H new ATOM 0 HG22 THR A 614 -10.189 9.114 -10.494 1.00 0.00 H new ATOM 0 HG23 THR A 614 -10.616 7.528 -9.810 1.00 0.00 H new ATOM 487 N PRO A 615 -7.393 10.602 -7.321 1.00 0.00 N ATOM 488 CA PRO A 615 -6.911 11.611 -6.369 1.00 0.00 C ATOM 489 C PRO A 615 -7.951 12.712 -6.166 1.00 0.00 C ATOM 490 O PRO A 615 -7.736 13.868 -6.540 1.00 0.00 O ATOM 491 CB PRO A 615 -5.644 12.176 -7.039 1.00 0.00 C ATOM 492 CG PRO A 615 -5.382 11.283 -8.221 1.00 0.00 C ATOM 493 CD PRO A 615 -6.730 10.752 -8.625 1.00 0.00 C ATOM 0 HA PRO A 615 -6.717 11.195 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -5.794 13.209 -7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -4.800 12.172 -6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -4.917 11.837 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -4.703 10.472 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -7.263 11.443 -9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -6.654 9.804 -9.157 1.00 0.00 H new ATOM 501 N ASP A 616 -9.077 12.331 -5.581 1.00 0.00 N ATOM 502 CA ASP A 616 -10.193 13.249 -5.349 1.00 0.00 C ATOM 503 C ASP A 616 -9.772 14.397 -4.438 1.00 0.00 C ATOM 504 O ASP A 616 -9.276 14.171 -3.339 1.00 0.00 O ATOM 505 CB ASP A 616 -11.378 12.502 -4.720 1.00 0.00 C ATOM 506 CG ASP A 616 -12.564 13.415 -4.494 1.00 0.00 C ATOM 507 OD1 ASP A 616 -13.253 13.754 -5.477 1.00 0.00 O ATOM 508 OD2 ASP A 616 -12.811 13.803 -3.333 1.00 0.00 O ATOM 0 H ASP A 616 -9.247 11.380 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.496 13.659 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -11.673 11.677 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.069 12.066 -3.770 1.00 0.00 H new ATOM 513 N PRO A 617 -9.971 15.652 -4.895 1.00 0.00 N ATOM 514 CA PRO A 617 -9.532 16.850 -4.162 1.00 0.00 C ATOM 515 C PRO A 617 -10.161 16.982 -2.775 1.00 0.00 C ATOM 516 O PRO A 617 -9.554 17.556 -1.872 1.00 0.00 O ATOM 517 CB PRO A 617 -9.985 18.017 -5.058 1.00 0.00 C ATOM 518 CG PRO A 617 -11.017 17.439 -5.959 1.00 0.00 C ATOM 519 CD PRO A 617 -10.618 16.007 -6.172 1.00 0.00 C ATOM 0 HA PRO A 617 -8.458 16.818 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.394 18.834 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.149 18.424 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.009 17.506 -5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.057 17.979 -6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -11.481 15.373 -6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -9.935 15.899 -7.015 1.00 0.00 H new ATOM 527 N ALA A 618 -11.367 16.451 -2.600 1.00 0.00 N ATOM 528 CA ALA A 618 -12.056 16.559 -1.324 1.00 0.00 C ATOM 529 C ALA A 618 -11.513 15.528 -0.349 1.00 0.00 C ATOM 530 O ALA A 618 -11.103 15.861 0.764 1.00 0.00 O ATOM 531 CB ALA A 618 -13.556 16.388 -1.505 1.00 0.00 C ATOM 0 H ALA A 618 -11.882 15.946 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.877 17.554 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -14.051 16.472 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.932 17.162 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.761 15.407 -1.933 1.00 0.00 H new ATOM 537 N ALA A 619 -11.513 14.273 -0.785 1.00 0.00 N ATOM 538 CA ALA A 619 -10.929 13.179 -0.017 1.00 0.00 C ATOM 539 C ALA A 619 -9.451 13.440 0.270 1.00 0.00 C ATOM 540 O ALA A 619 -8.912 12.980 1.271 1.00 0.00 O ATOM 541 CB ALA A 619 -11.109 11.863 -0.759 1.00 0.00 C ATOM 0 H ALA A 619 -11.916 13.986 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.448 13.114 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.669 11.054 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.172 11.670 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.615 11.922 -1.729 1.00 0.00 H new ATOM 547 N LEU A 620 -8.821 14.205 -0.615 1.00 0.00 N ATOM 548 CA LEU A 620 -7.404 14.535 -0.495 1.00 0.00 C ATOM 549 C LEU A 620 -7.163 15.342 0.781 1.00 0.00 C ATOM 550 O LEU A 620 -6.100 15.265 1.391 1.00 0.00 O ATOM 551 CB LEU A 620 -6.937 15.343 -1.715 1.00 0.00 C ATOM 552 CG LEU A 620 -5.614 14.902 -2.361 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.476 14.900 -1.350 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.760 13.531 -3.003 1.00 0.00 C ATOM 0 H LEU A 620 -9.275 14.613 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.834 13.607 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.719 15.299 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.840 16.387 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.368 15.625 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.555 14.583 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.346 15.904 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.711 14.211 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -4.812 13.238 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.041 12.802 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.532 13.570 -3.772 1.00 0.00 H new ATOM 566 N LYS A 621 -8.163 16.119 1.177 1.00 0.00 N ATOM 567 CA LYS A 621 -8.062 16.944 2.374 1.00 0.00 C ATOM 568 C LYS A 621 -8.671 16.239 3.587 1.00 0.00 C ATOM 569 O LYS A 621 -8.605 16.748 4.706 1.00 0.00 O ATOM 570 CB LYS A 621 -8.774 18.287 2.153 1.00 0.00 C ATOM 571 CG LYS A 621 -8.237 19.113 0.987 1.00 0.00 C ATOM 572 CD LYS A 621 -6.832 19.642 1.243 1.00 0.00 C ATOM 573 CE LYS A 621 -5.759 18.711 0.696 1.00 0.00 C ATOM 574 NZ LYS A 621 -4.393 19.233 0.960 1.00 0.00 N ATOM 0 H LYS A 621 -9.054 16.195 0.686 1.00 0.00 H new ATOM 0 HA LYS A 621 -7.004 17.118 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -9.834 18.097 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -8.695 18.878 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -8.232 18.501 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -8.909 19.951 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.726 20.625 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -6.685 19.773 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -5.866 17.726 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -5.899 18.585 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -3.688 18.573 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -4.283 20.162 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -4.251 19.330 1.986 1.00 0.00 H new ATOM 588 N ASP A 622 -9.238 15.060 3.366 1.00 0.00 N ATOM 589 CA ASP A 622 -9.963 14.340 4.414 1.00 0.00 C ATOM 590 C ASP A 622 -9.012 13.423 5.188 1.00 0.00 C ATOM 591 O ASP A 622 -8.170 12.743 4.597 1.00 0.00 O ATOM 592 CB ASP A 622 -11.115 13.526 3.788 1.00 0.00 C ATOM 593 CG ASP A 622 -12.032 12.893 4.817 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.603 11.971 5.538 1.00 0.00 O ATOM 595 OD2 ASP A 622 -13.208 13.310 4.897 1.00 0.00 O ATOM 0 H ASP A 622 -9.211 14.577 2.468 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.384 15.061 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.702 14.178 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.696 12.744 3.155 1.00 0.00 H new ATOM 600 N ARG A 623 -9.158 13.421 6.523 1.00 0.00 N ATOM 601 CA ARG A 623 -8.328 12.606 7.413 1.00 0.00 C ATOM 602 C ARG A 623 -8.331 11.131 7.015 1.00 0.00 C ATOM 603 O ARG A 623 -7.308 10.458 7.131 1.00 0.00 O ATOM 604 CB ARG A 623 -8.820 12.729 8.863 1.00 0.00 C ATOM 605 CG ARG A 623 -8.547 14.074 9.528 1.00 0.00 C ATOM 606 CD ARG A 623 -7.109 14.191 10.013 1.00 0.00 C ATOM 607 NE ARG A 623 -6.169 14.476 8.934 1.00 0.00 N ATOM 608 CZ ARG A 623 -4.883 14.128 8.957 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.401 13.398 9.957 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.079 14.502 7.974 1.00 0.00 N ATOM 0 H ARG A 623 -9.854 13.984 7.011 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.309 12.983 7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.894 12.543 8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.350 11.946 9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.757 14.877 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -9.225 14.206 10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -7.046 14.981 10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.820 13.262 10.505 1.00 0.00 H new ATOM 0 HE ARG A 623 -6.517 14.971 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -5.017 13.100 10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.415 13.135 9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -4.444 15.056 7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -3.094 14.236 7.991 1.00 0.00 H new ATOM 624 N ARG A 624 -9.481 10.623 6.573 1.00 0.00 N ATOM 625 CA ARG A 624 -9.628 9.205 6.275 1.00 0.00 C ATOM 626 C ARG A 624 -8.654 8.761 5.187 1.00 0.00 C ATOM 627 O ARG A 624 -8.080 7.673 5.271 1.00 0.00 O ATOM 628 CB ARG A 624 -11.066 8.890 5.861 1.00 0.00 C ATOM 629 CG ARG A 624 -11.369 7.401 5.812 1.00 0.00 C ATOM 630 CD ARG A 624 -12.837 7.141 5.514 1.00 0.00 C ATOM 631 NE ARG A 624 -13.719 7.822 6.459 1.00 0.00 N ATOM 632 CZ ARG A 624 -14.624 7.209 7.223 1.00 0.00 C ATOM 633 NH1 ARG A 624 -14.754 5.889 7.189 1.00 0.00 N ATOM 634 NH2 ARG A 624 -15.399 7.924 8.024 1.00 0.00 N ATOM 0 H ARG A 624 -10.323 11.176 6.414 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.393 8.649 7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.751 9.370 6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.257 9.324 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.752 6.928 5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.103 6.943 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.065 7.474 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.029 6.069 5.548 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.637 8.835 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.159 5.334 6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.449 5.430 7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -15.302 8.939 8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.093 7.460 8.610 1.00 0.00 H new ATOM 648 N MET A 625 -8.463 9.595 4.165 1.00 0.00 N ATOM 649 CA MET A 625 -7.507 9.271 3.114 1.00 0.00 C ATOM 650 C MET A 625 -6.094 9.225 3.677 1.00 0.00 C ATOM 651 O MET A 625 -5.312 8.345 3.325 1.00 0.00 O ATOM 652 CB MET A 625 -7.584 10.240 1.924 1.00 0.00 C ATOM 653 CG MET A 625 -6.404 10.094 0.962 1.00 0.00 C ATOM 654 SD MET A 625 -6.495 11.196 -0.461 1.00 0.00 S ATOM 655 CE MET A 625 -7.845 10.461 -1.377 1.00 0.00 C ATOM 0 H MET A 625 -8.949 10.484 4.045 1.00 0.00 H new ATOM 0 HA MET A 625 -7.774 8.285 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.513 10.067 1.381 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.618 11.264 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.478 10.288 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.357 9.063 0.611 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.541 11.240 -1.688 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.453 9.952 -2.258 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.365 9.742 -0.744 1.00 0.00 H new ATOM 665 N GLU A 626 -5.777 10.150 4.578 1.00 0.00 N ATOM 666 CA GLU A 626 -4.453 10.211 5.171 1.00 0.00 C ATOM 667 C GLU A 626 -4.155 8.926 5.928 1.00 0.00 C ATOM 668 O GLU A 626 -3.039 8.416 5.885 1.00 0.00 O ATOM 669 CB GLU A 626 -4.347 11.413 6.106 1.00 0.00 C ATOM 670 CG GLU A 626 -4.450 12.748 5.389 1.00 0.00 C ATOM 671 CD GLU A 626 -3.285 12.993 4.453 1.00 0.00 C ATOM 672 OE1 GLU A 626 -2.161 13.229 4.946 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.481 12.942 3.225 1.00 0.00 O ATOM 0 H GLU A 626 -6.422 10.866 4.911 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.719 10.324 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.135 11.351 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.397 11.367 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.381 12.782 4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -4.495 13.550 6.126 1.00 0.00 H new ATOM 680 N ASN A 627 -5.169 8.408 6.612 1.00 0.00 N ATOM 681 CA ASN A 627 -5.036 7.167 7.365 1.00 0.00 C ATOM 682 C ASN A 627 -4.695 6.008 6.441 1.00 0.00 C ATOM 683 O ASN A 627 -3.822 5.201 6.748 1.00 0.00 O ATOM 684 CB ASN A 627 -6.326 6.848 8.131 1.00 0.00 C ATOM 685 CG ASN A 627 -6.692 7.919 9.156 1.00 0.00 C ATOM 686 OD1 ASN A 627 -5.705 8.678 9.630 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.862 8.079 9.505 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.096 8.831 6.660 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.225 7.303 8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.146 6.737 7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.213 5.890 8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -8.594 7.481 9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -8.099 8.810 10.176 1.00 0.00 H new ATOM 694 N LEU A 628 -5.384 5.925 5.305 1.00 0.00 N ATOM 695 CA LEU A 628 -5.115 4.857 4.341 1.00 0.00 C ATOM 696 C LEU A 628 -3.713 5.028 3.752 1.00 0.00 C ATOM 697 O LEU A 628 -3.004 4.046 3.530 1.00 0.00 O ATOM 698 CB LEU A 628 -6.226 4.767 3.246 1.00 0.00 C ATOM 699 CG LEU A 628 -6.096 5.660 1.999 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.105 5.080 1.001 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.455 5.823 1.334 1.00 0.00 C ATOM 0 H LEU A 628 -6.122 6.573 5.031 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.141 3.900 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.278 3.732 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.180 4.996 3.721 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.725 6.633 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.037 5.735 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.124 4.996 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.442 4.093 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.355 6.456 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.835 4.845 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.150 6.285 2.035 1.00 0.00 H new ATOM 713 N VAL A 629 -3.309 6.275 3.503 1.00 0.00 N ATOM 714 CA VAL A 629 -1.967 6.554 2.999 1.00 0.00 C ATOM 715 C VAL A 629 -0.919 6.165 4.042 1.00 0.00 C ATOM 716 O VAL A 629 0.130 5.602 3.714 1.00 0.00 O ATOM 717 CB VAL A 629 -1.793 8.042 2.618 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.377 8.316 2.136 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.797 8.443 1.551 1.00 0.00 C ATOM 0 H VAL A 629 -3.890 7.102 3.642 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.827 5.957 2.098 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.975 8.641 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.279 9.369 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.331 8.072 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.166 7.703 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.658 9.494 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.646 7.832 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.808 8.292 1.928 1.00 0.00 H new ATOM 729 N ALA A 630 -1.209 6.477 5.301 1.00 0.00 N ATOM 730 CA ALA A 630 -0.353 6.076 6.407 1.00 0.00 C ATOM 731 C ALA A 630 -0.293 4.552 6.512 1.00 0.00 C ATOM 732 O ALA A 630 0.769 3.988 6.774 1.00 0.00 O ATOM 733 CB ALA A 630 -0.820 6.708 7.714 1.00 0.00 C ATOM 0 H ALA A 630 -2.034 7.008 5.579 1.00 0.00 H new ATOM 0 HA ALA A 630 0.656 6.438 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.164 6.393 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.790 7.794 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.840 6.390 7.928 1.00 0.00 H new ATOM 739 N TYR A 631 -1.437 3.892 6.300 1.00 0.00 N ATOM 740 CA TYR A 631 -1.495 2.427 6.289 1.00 0.00 C ATOM 741 C TYR A 631 -0.581 1.875 5.195 1.00 0.00 C ATOM 742 O TYR A 631 0.110 0.874 5.397 1.00 0.00 O ATOM 743 CB TYR A 631 -2.935 1.917 6.074 1.00 0.00 C ATOM 744 CG TYR A 631 -3.141 0.482 6.502 1.00 0.00 C ATOM 745 CD1 TYR A 631 -3.235 0.162 7.847 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.245 -0.549 5.574 1.00 0.00 C ATOM 747 CE1 TYR A 631 -3.426 -1.138 8.263 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.436 -1.856 5.984 1.00 0.00 C ATOM 749 CZ TYR A 631 -3.524 -2.145 7.331 1.00 0.00 C ATOM 750 OH TYR A 631 -3.714 -3.441 7.751 1.00 0.00 O ATOM 0 H TYR A 631 -2.334 4.349 6.134 1.00 0.00 H new ATOM 0 HA TYR A 631 -1.155 2.074 7.263 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.624 2.555 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.191 2.013 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -3.157 0.947 8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.176 -0.326 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -3.498 -1.365 9.316 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.516 -2.647 5.253 1.00 0.00 H new ATOM 0 HH TYR A 631 -4.213 -3.442 8.595 1.00 0.00 H new ATOM 760 N ALA A 632 -0.581 2.538 4.037 1.00 0.00 N ATOM 761 CA ALA A 632 0.304 2.164 2.936 1.00 0.00 C ATOM 762 C ALA A 632 1.762 2.227 3.381 1.00 0.00 C ATOM 763 O ALA A 632 2.530 1.288 3.163 1.00 0.00 O ATOM 764 CB ALA A 632 0.074 3.068 1.728 1.00 0.00 C ATOM 0 H ALA A 632 -1.184 3.336 3.839 1.00 0.00 H new ATOM 0 HA ALA A 632 0.074 1.139 2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.743 2.772 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.960 2.975 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.275 4.103 2.005 1.00 0.00 H new ATOM 770 N LYS A 633 2.137 3.345 3.998 1.00 0.00 N ATOM 771 CA LYS A 633 3.469 3.501 4.575 1.00 0.00 C ATOM 772 C LYS A 633 3.772 2.416 5.605 1.00 0.00 C ATOM 773 O LYS A 633 4.900 1.937 5.685 1.00 0.00 O ATOM 774 CB LYS A 633 3.629 4.884 5.215 1.00 0.00 C ATOM 775 CG LYS A 633 4.637 5.777 4.506 1.00 0.00 C ATOM 776 CD LYS A 633 4.191 6.104 3.092 1.00 0.00 C ATOM 777 CE LYS A 633 3.151 7.215 3.064 1.00 0.00 C ATOM 778 NZ LYS A 633 3.719 8.519 3.496 1.00 0.00 N ATOM 0 H LYS A 633 1.534 4.160 4.111 1.00 0.00 H new ATOM 0 HA LYS A 633 4.183 3.401 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.660 5.383 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 633 3.935 4.760 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.767 6.700 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.607 5.281 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 633 5.056 6.402 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.778 5.209 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.749 7.311 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.318 6.949 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 3.114 9.292 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.766 8.550 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.676 8.628 3.103 1.00 0.00 H new ATOM 792 N LYS A 634 2.786 2.048 6.411 1.00 0.00 N ATOM 793 CA LYS A 634 2.971 0.972 7.380 1.00 0.00 C ATOM 794 C LYS A 634 3.406 -0.306 6.674 1.00 0.00 C ATOM 795 O LYS A 634 4.373 -0.955 7.082 1.00 0.00 O ATOM 796 CB LYS A 634 1.687 0.721 8.172 1.00 0.00 C ATOM 797 CG LYS A 634 1.272 1.893 9.047 1.00 0.00 C ATOM 798 CD LYS A 634 0.062 1.566 9.914 1.00 0.00 C ATOM 799 CE LYS A 634 0.441 0.786 11.171 1.00 0.00 C ATOM 800 NZ LYS A 634 0.899 -0.599 10.879 1.00 0.00 N ATOM 0 H LYS A 634 1.858 2.472 6.416 1.00 0.00 H new ATOM 0 HA LYS A 634 3.751 1.277 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 634 0.879 0.494 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.824 -0.160 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 634 2.107 2.181 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 634 1.043 2.752 8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 634 -0.437 2.492 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 634 -0.653 0.986 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 634 1.231 1.320 11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 634 -0.419 0.745 11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 0.559 -1.241 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 0.520 -0.903 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 1.938 -0.622 10.850 1.00 0.00 H new ATOM 814 N VAL A 635 2.679 -0.666 5.622 1.00 0.00 N ATOM 815 CA VAL A 635 3.049 -1.804 4.788 1.00 0.00 C ATOM 816 C VAL A 635 4.460 -1.650 4.218 1.00 0.00 C ATOM 817 O VAL A 635 5.288 -2.542 4.380 1.00 0.00 O ATOM 818 CB VAL A 635 2.038 -2.008 3.631 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.636 -2.850 2.514 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.771 -2.671 4.148 1.00 0.00 C ATOM 0 H VAL A 635 1.829 -0.186 5.326 1.00 0.00 H new ATOM 0 HA VAL A 635 3.030 -2.684 5.431 1.00 0.00 H new ATOM 0 HB VAL A 635 1.795 -1.025 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 635 1.901 -2.974 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.520 -2.352 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.915 -3.828 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.070 -2.808 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.018 -3.641 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.315 -2.040 4.911 1.00 0.00 H new ATOM 830 N GLU A 636 4.740 -0.510 3.585 1.00 0.00 N ATOM 831 CA GLU A 636 6.062 -0.278 2.978 1.00 0.00 C ATOM 832 C GLU A 636 7.175 -0.391 4.023 1.00 0.00 C ATOM 833 O GLU A 636 8.238 -0.944 3.744 1.00 0.00 O ATOM 834 CB GLU A 636 6.128 1.064 2.204 1.00 0.00 C ATOM 835 CG GLU A 636 6.312 2.340 3.035 1.00 0.00 C ATOM 836 CD GLU A 636 7.759 2.766 3.183 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.398 3.105 2.166 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.257 2.794 4.328 1.00 0.00 O ATOM 0 H GLU A 636 4.082 0.262 3.477 1.00 0.00 H new ATOM 0 HA GLU A 636 6.220 -1.064 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.950 1.003 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.210 1.166 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 636 5.750 3.150 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 636 5.885 2.183 4.026 1.00 0.00 H new ATOM 845 N GLY A 637 6.922 0.119 5.225 1.00 0.00 N ATOM 846 CA GLY A 637 7.892 -0.003 6.303 1.00 0.00 C ATOM 847 C GLY A 637 8.142 -1.444 6.698 1.00 0.00 C ATOM 848 O GLY A 637 9.289 -1.866 6.837 1.00 0.00 O ATOM 0 H GLY A 637 6.065 0.614 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.832 0.454 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.537 0.552 7.171 1.00 0.00 H new ATOM 852 N ASP A 638 7.070 -2.205 6.880 1.00 0.00 N ATOM 853 CA ASP A 638 7.187 -3.614 7.250 1.00 0.00 C ATOM 854 C ASP A 638 7.872 -4.407 6.139 1.00 0.00 C ATOM 855 O ASP A 638 8.709 -5.278 6.401 1.00 0.00 O ATOM 856 CB ASP A 638 5.808 -4.202 7.546 1.00 0.00 C ATOM 857 CG ASP A 638 5.874 -5.640 8.030 1.00 0.00 C ATOM 858 OD1 ASP A 638 6.108 -5.857 9.242 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.683 -6.557 7.206 1.00 0.00 O ATOM 0 H ASP A 638 6.111 -1.873 6.778 1.00 0.00 H new ATOM 0 HA ASP A 638 7.798 -3.683 8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.312 -3.592 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.196 -4.154 6.645 1.00 0.00 H new ATOM 864 N MET A 639 7.513 -4.091 4.901 1.00 0.00 N ATOM 865 CA MET A 639 8.128 -4.713 3.726 1.00 0.00 C ATOM 866 C MET A 639 9.619 -4.412 3.681 1.00 0.00 C ATOM 867 O MET A 639 10.401 -5.253 3.271 1.00 0.00 O ATOM 868 CB MET A 639 7.477 -4.244 2.409 1.00 0.00 C ATOM 869 CG MET A 639 5.978 -4.512 2.314 1.00 0.00 C ATOM 870 SD MET A 639 5.579 -6.266 2.355 1.00 0.00 S ATOM 871 CE MET A 639 3.801 -6.197 2.186 1.00 0.00 C ATOM 0 H MET A 639 6.794 -3.403 4.680 1.00 0.00 H new ATOM 0 HA MET A 639 7.968 -5.787 3.820 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.650 -3.174 2.294 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.975 -4.739 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.471 -4.009 3.138 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.594 -4.078 1.391 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.442 -7.125 1.741 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.347 -6.066 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.529 -5.358 1.546 1.00 0.00 H new ATOM 881 N TYR A 640 9.990 -3.207 4.100 1.00 0.00 N ATOM 882 CA TYR A 640 11.372 -2.720 3.984 1.00 0.00 C ATOM 883 C TYR A 640 12.386 -3.720 4.566 1.00 0.00 C ATOM 884 O TYR A 640 13.465 -3.904 3.998 1.00 0.00 O ATOM 885 CB TYR A 640 11.521 -1.339 4.655 1.00 0.00 C ATOM 886 CG TYR A 640 12.806 -0.609 4.315 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.341 -0.662 3.032 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.479 0.149 5.272 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.501 0.009 2.715 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.643 0.823 4.957 1.00 0.00 C ATOM 891 CZ TYR A 640 15.150 0.749 3.680 1.00 0.00 C ATOM 892 OH TYR A 640 16.306 1.423 3.362 1.00 0.00 O ATOM 0 H TYR A 640 9.350 -2.539 4.528 1.00 0.00 H new ATOM 0 HA TYR A 640 11.592 -2.617 2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.676 -0.715 4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.466 -1.467 5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.838 -1.240 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.084 0.210 6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.901 -0.044 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.153 1.406 5.710 1.00 0.00 H new ATOM 0 HH TYR A 640 16.637 1.897 4.154 1.00 0.00 H new ATOM 902 N GLU A 641 12.044 -4.378 5.675 1.00 0.00 N ATOM 903 CA GLU A 641 12.938 -5.399 6.244 1.00 0.00 C ATOM 904 C GLU A 641 13.042 -6.603 5.303 1.00 0.00 C ATOM 905 O GLU A 641 14.134 -7.068 4.974 1.00 0.00 O ATOM 906 CB GLU A 641 12.483 -5.860 7.635 1.00 0.00 C ATOM 907 CG GLU A 641 12.933 -4.925 8.775 1.00 0.00 C ATOM 908 CD GLU A 641 12.116 -3.655 8.850 1.00 0.00 C ATOM 909 OE1 GLU A 641 12.416 -2.710 8.100 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.182 -3.594 9.676 1.00 0.00 O ATOM 0 H GLU A 641 11.176 -4.231 6.190 1.00 0.00 H new ATOM 0 HA GLU A 641 13.919 -4.938 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.396 -5.934 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.873 -6.861 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.859 -5.456 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.983 -4.668 8.635 1.00 0.00 H new ATOM 917 N SER A 642 11.883 -7.084 4.879 1.00 0.00 N ATOM 918 CA SER A 642 11.764 -8.218 3.964 1.00 0.00 C ATOM 919 C SER A 642 12.406 -7.904 2.607 1.00 0.00 C ATOM 920 O SER A 642 12.924 -8.794 1.934 1.00 0.00 O ATOM 921 CB SER A 642 10.292 -8.593 3.795 1.00 0.00 C ATOM 922 OG SER A 642 10.146 -9.885 3.229 1.00 0.00 O ATOM 0 H SER A 642 10.984 -6.695 5.163 1.00 0.00 H new ATOM 0 HA SER A 642 12.299 -9.067 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.794 -8.561 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.799 -7.858 3.159 1.00 0.00 H new ATOM 0 HG SER A 642 9.220 -10.188 3.339 1.00 0.00 H new ATOM 928 N ALA A 643 12.298 -6.635 2.207 1.00 0.00 N ATOM 929 CA ALA A 643 12.829 -6.086 0.945 1.00 0.00 C ATOM 930 C ALA A 643 14.338 -6.301 0.736 1.00 0.00 C ATOM 931 O ALA A 643 14.978 -5.551 -0.001 1.00 0.00 O ATOM 932 CB ALA A 643 12.511 -4.607 0.852 1.00 0.00 C ATOM 0 H ALA A 643 11.821 -5.931 2.770 1.00 0.00 H new ATOM 0 HA ALA A 643 12.333 -6.645 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.906 -4.208 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.431 -4.465 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.967 -4.083 1.692 1.00 0.00 H new ATOM 938 N ASN A 644 14.901 -7.300 1.393 1.00 0.00 N ATOM 939 CA ASN A 644 16.333 -7.574 1.293 1.00 0.00 C ATOM 940 C ASN A 644 16.614 -8.226 -0.066 1.00 0.00 C ATOM 941 O ASN A 644 17.763 -8.492 -0.426 1.00 0.00 O ATOM 942 CB ASN A 644 16.805 -8.497 2.442 1.00 0.00 C ATOM 943 CG ASN A 644 18.327 -8.528 2.591 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.984 -7.391 2.374 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.905 -9.564 2.918 1.00 0.00 N flip ATOM 0 H ASN A 644 14.392 -7.939 2.004 1.00 0.00 H new ATOM 0 HA ASN A 644 16.885 -6.638 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.360 -8.160 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.442 -9.509 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.370 -10.418 3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.919 -9.569 3.031 1.00 0.00 H new ATOM 952 N SER A 645 15.542 -8.455 -0.823 1.00 0.00 N ATOM 953 CA SER A 645 15.621 -9.027 -2.151 1.00 0.00 C ATOM 954 C SER A 645 14.641 -8.279 -3.066 1.00 0.00 C ATOM 955 O SER A 645 13.485 -8.062 -2.695 1.00 0.00 O ATOM 956 CB SER A 645 15.269 -10.515 -2.088 1.00 0.00 C ATOM 957 OG SER A 645 16.011 -11.172 -1.068 1.00 0.00 O ATOM 0 H SER A 645 14.590 -8.244 -0.522 1.00 0.00 H new ATOM 0 HA SER A 645 16.631 -8.928 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.202 -10.632 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.475 -10.982 -3.051 1.00 0.00 H new ATOM 0 HG SER A 645 15.768 -12.121 -1.046 1.00 0.00 H new ATOM 963 N ARG A 646 15.117 -7.867 -4.243 1.00 0.00 N ATOM 964 CA ARG A 646 14.301 -7.106 -5.195 1.00 0.00 C ATOM 965 C ARG A 646 13.022 -7.856 -5.556 1.00 0.00 C ATOM 966 O ARG A 646 11.931 -7.286 -5.544 1.00 0.00 O ATOM 967 CB ARG A 646 15.094 -6.821 -6.474 1.00 0.00 C ATOM 968 CG ARG A 646 16.279 -5.884 -6.287 1.00 0.00 C ATOM 969 CD ARG A 646 15.840 -4.452 -6.009 1.00 0.00 C ATOM 970 NE ARG A 646 14.997 -3.909 -7.078 1.00 0.00 N ATOM 971 CZ ARG A 646 14.973 -2.623 -7.440 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.803 -1.745 -6.884 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.129 -2.221 -8.379 1.00 0.00 N ATOM 0 H ARG A 646 16.069 -8.048 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 646 14.032 -6.166 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.455 -7.766 -6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.421 -6.391 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 646 16.895 -6.240 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 646 16.901 -5.905 -7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.293 -4.419 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.721 -3.822 -5.889 1.00 0.00 H new ATOM 0 HE ARG A 646 14.388 -4.556 -7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.467 -2.051 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.775 -0.766 -7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.501 -2.892 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.107 -1.240 -8.659 1.00 0.00 H new ATOM 987 N ASP A 647 13.170 -9.133 -5.881 1.00 0.00 N ATOM 988 CA ASP A 647 12.039 -9.972 -6.266 1.00 0.00 C ATOM 989 C ASP A 647 11.038 -10.092 -5.125 1.00 0.00 C ATOM 990 O ASP A 647 9.824 -10.045 -5.339 1.00 0.00 O ATOM 991 CB ASP A 647 12.528 -11.360 -6.684 1.00 0.00 C ATOM 992 CG ASP A 647 11.393 -12.282 -7.082 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.740 -12.017 -8.114 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.152 -13.281 -6.373 1.00 0.00 O ATOM 0 H ASP A 647 14.069 -9.615 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 647 11.539 -9.501 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.221 -11.261 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.084 -11.809 -5.861 1.00 0.00 H new ATOM 999 N GLU A 648 11.557 -10.235 -3.912 1.00 0.00 N ATOM 1000 CA GLU A 648 10.717 -10.388 -2.729 1.00 0.00 C ATOM 1001 C GLU A 648 9.880 -9.133 -2.496 1.00 0.00 C ATOM 1002 O GLU A 648 8.665 -9.215 -2.306 1.00 0.00 O ATOM 1003 CB GLU A 648 11.576 -10.677 -1.492 1.00 0.00 C ATOM 1004 CG GLU A 648 10.782 -11.219 -0.314 1.00 0.00 C ATOM 1005 CD GLU A 648 10.235 -12.607 -0.577 1.00 0.00 C ATOM 1006 OE1 GLU A 648 9.294 -12.743 -1.383 1.00 0.00 O ATOM 1007 OE2 GLU A 648 10.748 -13.572 0.026 1.00 0.00 O ATOM 0 H GLU A 648 12.559 -10.248 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 648 10.047 -11.231 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.352 -11.395 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.081 -9.760 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.419 -11.244 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.957 -10.542 -0.093 1.00 0.00 H new ATOM 1014 N TYR A 649 10.538 -7.976 -2.542 1.00 0.00 N ATOM 1015 CA TYR A 649 9.884 -6.694 -2.266 1.00 0.00 C ATOM 1016 C TYR A 649 8.657 -6.492 -3.157 1.00 0.00 C ATOM 1017 O TYR A 649 7.572 -6.176 -2.664 1.00 0.00 O ATOM 1018 CB TYR A 649 10.882 -5.542 -2.470 1.00 0.00 C ATOM 1019 CG TYR A 649 10.415 -4.191 -1.952 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.434 -4.082 -0.971 1.00 0.00 C ATOM 1021 CD2 TYR A 649 10.975 -3.017 -2.445 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.024 -2.847 -0.505 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.572 -1.782 -1.981 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.597 -1.701 -1.014 1.00 0.00 C ATOM 1025 OH TYR A 649 9.193 -0.470 -0.550 1.00 0.00 O ATOM 0 H TYR A 649 11.529 -7.898 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 649 9.548 -6.701 -1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.819 -5.800 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.098 -5.452 -3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.985 -4.978 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.740 -3.073 -3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.259 -2.780 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.020 -0.882 -2.375 1.00 0.00 H new ATOM 0 HH TYR A 649 9.632 -0.283 0.306 1.00 0.00 H new ATOM 1035 N TYR A 650 8.821 -6.688 -4.462 1.00 0.00 N ATOM 1036 CA TYR A 650 7.736 -6.535 -5.399 1.00 0.00 C ATOM 1037 C TYR A 650 6.646 -7.580 -5.177 1.00 0.00 C ATOM 1038 O TYR A 650 5.456 -7.270 -5.259 1.00 0.00 O ATOM 1039 CB TYR A 650 8.292 -6.607 -6.816 1.00 0.00 C ATOM 1040 CG TYR A 650 8.952 -5.323 -7.269 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.279 -5.051 -6.965 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.238 -4.379 -7.998 1.00 0.00 C ATOM 1043 CE1 TYR A 650 10.878 -3.874 -7.375 1.00 0.00 C ATOM 1044 CE2 TYR A 650 8.830 -3.202 -8.410 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.149 -2.954 -8.097 1.00 0.00 C ATOM 1046 OH TYR A 650 10.740 -1.781 -8.508 1.00 0.00 O ATOM 0 H TYR A 650 9.708 -6.956 -4.888 1.00 0.00 H new ATOM 0 HA TYR A 650 7.268 -5.563 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.017 -7.419 -6.873 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.483 -6.853 -7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 650 10.853 -5.770 -6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.204 -4.569 -8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 650 11.911 -3.677 -7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 650 8.262 -2.478 -8.975 1.00 0.00 H new ATOM 0 HH TYR A 650 10.089 -1.244 -9.006 1.00 0.00 H new ATOM 1056 N HIS A 651 7.055 -8.808 -4.869 1.00 0.00 N ATOM 1057 CA HIS A 651 6.119 -9.920 -4.738 1.00 0.00 C ATOM 1058 C HIS A 651 5.194 -9.708 -3.542 1.00 0.00 C ATOM 1059 O HIS A 651 3.997 -9.987 -3.609 1.00 0.00 O ATOM 1060 CB HIS A 651 6.883 -11.237 -4.586 1.00 0.00 C ATOM 1061 CG HIS A 651 6.011 -12.452 -4.660 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.827 -13.312 -3.600 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.279 -12.956 -5.681 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.021 -14.291 -3.964 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.674 -14.097 -5.221 1.00 0.00 N ATOM 0 H HIS A 651 8.030 -9.058 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 651 5.510 -9.966 -5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.642 -11.298 -5.365 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.407 -11.234 -3.630 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.188 -12.538 -6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.700 -15.111 -3.339 1.00 0.00 H new ATOM 0 HE2 HIS A 651 4.055 -14.699 -5.764 1.00 0.00 H new ATOM 1074 N LEU A 652 5.769 -9.221 -2.449 1.00 0.00 N ATOM 1075 CA LEU A 652 5.020 -8.980 -1.220 1.00 0.00 C ATOM 1076 C LEU A 652 3.934 -7.934 -1.434 1.00 0.00 C ATOM 1077 O LEU A 652 2.778 -8.136 -1.056 1.00 0.00 O ATOM 1078 CB LEU A 652 5.966 -8.504 -0.122 1.00 0.00 C ATOM 1079 CG LEU A 652 7.087 -9.471 0.247 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.093 -8.778 1.150 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.526 -10.712 0.924 1.00 0.00 C ATOM 0 H LEU A 652 6.759 -8.983 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 652 4.548 -9.917 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.413 -7.561 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.380 -8.297 0.773 1.00 0.00 H new ATOM 0 HG LEU A 652 7.592 -9.785 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.890 -9.475 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.517 -7.919 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.595 -8.442 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.342 -11.388 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.997 -10.423 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.836 -11.215 0.247 1.00 0.00 H new ATOM 1093 N LEU A 653 4.322 -6.809 -2.024 1.00 0.00 N ATOM 1094 CA LEU A 653 3.379 -5.746 -2.343 1.00 0.00 C ATOM 1095 C LEU A 653 2.310 -6.242 -3.313 1.00 0.00 C ATOM 1096 O LEU A 653 1.127 -5.951 -3.140 1.00 0.00 O ATOM 1097 CB LEU A 653 4.118 -4.538 -2.924 1.00 0.00 C ATOM 1098 CG LEU A 653 4.879 -3.691 -1.899 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.083 -3.036 -2.543 1.00 0.00 C ATOM 1100 CD2 LEU A 653 3.972 -2.625 -1.305 1.00 0.00 C ATOM 0 H LEU A 653 5.286 -6.610 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 653 2.882 -5.439 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.823 -4.890 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.396 -3.901 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 653 5.218 -4.351 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.612 -2.438 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.750 -3.805 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.754 -2.393 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.531 -2.034 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.607 -1.974 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.126 -3.102 -0.810 1.00 0.00 H new ATOM 1112 N ALA A 654 2.733 -7.009 -4.318 1.00 0.00 N ATOM 1113 CA ALA A 654 1.807 -7.598 -5.284 1.00 0.00 C ATOM 1114 C ALA A 654 0.733 -8.429 -4.587 1.00 0.00 C ATOM 1115 O ALA A 654 -0.451 -8.337 -4.924 1.00 0.00 O ATOM 1116 CB ALA A 654 2.567 -8.461 -6.281 1.00 0.00 C ATOM 0 H ALA A 654 3.713 -7.237 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 654 1.314 -6.784 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.867 -8.894 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.295 -7.848 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.085 -9.260 -5.750 1.00 0.00 H new ATOM 1122 N GLU A 655 1.159 -9.232 -3.612 1.00 0.00 N ATOM 1123 CA GLU A 655 0.224 -10.065 -2.840 1.00 0.00 C ATOM 1124 C GLU A 655 -0.835 -9.198 -2.163 1.00 0.00 C ATOM 1125 O GLU A 655 -2.031 -9.492 -2.222 1.00 0.00 O ATOM 1126 CB GLU A 655 0.943 -10.917 -1.774 1.00 0.00 C ATOM 1127 CG GLU A 655 0.004 -11.457 -0.702 1.00 0.00 C ATOM 1128 CD GLU A 655 0.734 -12.183 0.402 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.374 -11.512 1.237 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.660 -13.427 0.450 1.00 0.00 O ATOM 0 H GLU A 655 2.136 -9.326 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.251 -10.742 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.444 -11.752 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.718 -10.315 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.565 -10.631 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.715 -12.134 -1.163 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.385 -8.119 -1.537 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.271 -7.243 -0.782 1.00 0.00 C ATOM 1139 C LYS A 656 -2.287 -6.570 -1.697 1.00 0.00 C ATOM 1140 O LYS A 656 -3.458 -6.435 -1.342 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.463 -6.197 -0.012 1.00 0.00 C ATOM 1142 CG LYS A 656 0.515 -6.800 0.986 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.190 -7.684 2.007 1.00 0.00 C ATOM 1144 CE LYS A 656 0.787 -8.259 3.021 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.795 -9.157 2.391 1.00 0.00 N ATOM 0 H LYS A 656 0.593 -7.828 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.819 -7.854 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.088 -5.580 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.150 -5.537 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.263 -7.387 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 656 1.046 -6.001 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.954 -7.104 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.702 -8.497 1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 656 1.299 -7.443 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 656 0.235 -8.813 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 2.594 -9.293 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 1.358 -10.077 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 2.138 -8.728 1.508 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.843 -6.156 -2.878 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.736 -5.526 -3.840 1.00 0.00 C ATOM 1161 C ILE A 657 -3.809 -6.519 -4.296 1.00 0.00 C ATOM 1162 O ILE A 657 -4.974 -6.159 -4.436 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.970 -4.979 -5.069 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.832 -4.060 -4.616 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.920 -4.218 -5.987 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.035 -3.554 -5.750 1.00 0.00 C ATOM 0 H ILE A 657 -0.876 -6.245 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.209 -4.681 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.547 -5.820 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.256 -3.207 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.205 -4.597 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.369 -3.839 -6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.710 -4.887 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.362 -3.383 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.818 -2.910 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.489 -4.400 -6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.577 -2.987 -6.451 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.413 -7.774 -4.514 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.375 -8.825 -4.869 1.00 0.00 C ATOM 1180 C TYR A 658 -5.369 -9.037 -3.728 1.00 0.00 C ATOM 1181 O TYR A 658 -6.552 -9.263 -3.972 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.685 -10.155 -5.233 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.597 -11.158 -5.929 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.471 -10.762 -6.942 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.589 -12.506 -5.568 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.300 -11.676 -7.567 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.417 -13.417 -6.191 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.268 -13.000 -7.186 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.089 -13.915 -7.806 1.00 0.00 O ATOM 0 H TYR A 658 -2.444 -8.088 -4.453 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.909 -8.488 -5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.833 -9.945 -5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.291 -10.608 -4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.501 -9.725 -7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -3.923 -12.842 -4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.970 -11.353 -8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.396 -14.456 -5.897 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.940 -14.803 -7.419 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.885 -8.964 -2.486 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.738 -9.102 -1.326 1.00 0.00 C ATOM 1201 C LYS A 659 -6.837 -8.044 -1.363 1.00 0.00 C ATOM 1202 O LYS A 659 -8.013 -8.348 -1.192 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.894 -8.957 -0.063 1.00 0.00 C ATOM 1204 CG LYS A 659 -5.557 -9.504 1.180 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.831 -10.994 1.058 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.550 -11.800 0.903 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.816 -13.262 0.888 1.00 0.00 N ATOM 0 H LYS A 659 -3.901 -8.809 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.208 -10.085 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -3.943 -9.469 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -4.667 -7.902 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -4.919 -9.320 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -6.493 -8.975 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -6.370 -11.337 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -6.478 -11.174 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -4.049 -11.512 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.870 -11.563 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.919 -13.777 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.271 -13.541 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -5.445 -13.492 0.092 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.431 -6.807 -1.615 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.364 -5.697 -1.788 1.00 0.00 C ATOM 1223 C ILE A 660 -8.321 -5.959 -2.953 1.00 0.00 C ATOM 1224 O ILE A 660 -9.514 -5.663 -2.865 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.598 -4.360 -1.978 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.619 -3.553 -0.688 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.164 -3.517 -3.124 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.726 -2.339 -0.739 1.00 0.00 C ATOM 0 H ILE A 660 -5.450 -6.543 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.964 -5.614 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.571 -4.617 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.641 -3.237 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.308 -4.192 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.592 -2.593 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.096 -4.078 -4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.208 -3.279 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.784 -1.805 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.697 -2.651 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.051 -1.682 -1.546 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.799 -6.546 -4.029 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.612 -6.808 -5.218 1.00 0.00 C ATOM 1242 C GLN A 661 -9.690 -7.826 -4.879 1.00 0.00 C ATOM 1243 O GLN A 661 -10.833 -7.721 -5.326 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.772 -7.303 -6.411 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.807 -6.256 -6.967 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.076 -6.735 -8.205 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -4.913 -7.337 -8.010 1.00 0.00 O flip ATOM 1248 NE2 GLN A 661 -6.544 -6.551 -9.328 1.00 0.00 N flip ATOM 0 H GLN A 661 -6.827 -6.847 -4.103 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.067 -5.865 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.203 -8.180 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.444 -7.623 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.360 -5.348 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.079 -5.994 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -7.444 -6.083 -9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -6.032 -6.867 -10.152 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.306 -8.816 -4.085 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.231 -9.828 -3.612 1.00 0.00 C ATOM 1259 C LYS A 662 -11.287 -9.209 -2.705 1.00 0.00 C ATOM 1260 O LYS A 662 -12.478 -9.447 -2.879 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.480 -10.922 -2.852 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.400 -11.937 -2.194 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.630 -12.921 -1.336 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.571 -13.859 -0.600 1.00 0.00 C ATOM 1265 NZ LYS A 662 -11.461 -14.599 -1.533 1.00 0.00 N ATOM 0 H LYS A 662 -8.349 -8.937 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.724 -10.268 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.812 -11.440 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.855 -10.460 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -11.135 -11.417 -1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.952 -12.479 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -8.951 -13.500 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -9.016 -12.378 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -9.989 -14.570 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -11.177 -13.287 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -12.427 -14.219 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -11.112 -14.489 -2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -11.468 -15.608 -1.280 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.834 -8.398 -1.754 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.713 -7.826 -0.738 1.00 0.00 C ATOM 1281 C GLU A 663 -12.790 -6.954 -1.371 1.00 0.00 C ATOM 1282 O GLU A 663 -13.975 -7.108 -1.073 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.909 -7.004 0.278 1.00 0.00 C ATOM 1284 CG GLU A 663 -9.959 -7.829 1.135 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.674 -8.893 1.940 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.131 -8.586 3.061 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.792 -10.039 1.458 1.00 0.00 O ATOM 0 H GLU A 663 -9.857 -8.120 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.197 -8.653 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.334 -6.248 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.603 -6.475 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.216 -8.303 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.420 -7.167 1.813 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.374 -6.051 -2.255 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.305 -5.155 -2.935 1.00 0.00 C ATOM 1296 C LEU A 664 -14.335 -5.951 -3.731 1.00 0.00 C ATOM 1297 O LEU A 664 -15.532 -5.665 -3.684 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.550 -4.205 -3.875 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.488 -3.327 -3.210 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.728 -2.531 -4.256 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.122 -2.391 -2.195 1.00 0.00 C ATOM 0 H LEU A 664 -11.397 -5.920 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.821 -4.568 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.071 -4.798 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.275 -3.557 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.787 -3.977 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.976 -1.912 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.239 -3.215 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.422 -1.894 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.349 -1.776 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.846 -1.748 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.626 -2.976 -1.426 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.856 -6.951 -4.456 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.713 -7.785 -5.283 1.00 0.00 C ATOM 1315 C GLU A 665 -15.676 -8.604 -4.421 1.00 0.00 C ATOM 1316 O GLU A 665 -16.884 -8.625 -4.664 1.00 0.00 O ATOM 1317 CB GLU A 665 -13.846 -8.715 -6.130 1.00 0.00 C ATOM 1318 CG GLU A 665 -14.581 -9.367 -7.285 1.00 0.00 C ATOM 1319 CD GLU A 665 -15.096 -8.355 -8.284 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -14.351 -7.410 -8.624 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -16.253 -8.489 -8.731 1.00 0.00 O ATOM 0 H GLU A 665 -12.869 -7.205 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.307 -7.143 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.002 -8.148 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.435 -9.495 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -13.913 -10.065 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -15.417 -9.950 -6.898 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.120 -9.270 -3.414 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.878 -10.173 -2.557 1.00 0.00 C ATOM 1330 C GLU A 666 -16.922 -9.426 -1.733 1.00 0.00 C ATOM 1331 O GLU A 666 -18.029 -9.918 -1.534 1.00 0.00 O ATOM 1332 CB GLU A 666 -14.933 -10.946 -1.637 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.613 -12.061 -0.863 1.00 0.00 C ATOM 1334 CD GLU A 666 -14.642 -12.869 -0.031 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -13.913 -13.703 -0.604 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -14.612 -12.680 1.200 1.00 0.00 O ATOM 0 H GLU A 666 -14.132 -9.199 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.406 -10.875 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.125 -11.370 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.478 -10.251 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -16.375 -11.633 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.125 -12.723 -1.561 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.569 -8.256 -1.221 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.513 -7.469 -0.439 1.00 0.00 C ATOM 1345 C LYS A 667 -18.679 -7.000 -1.309 1.00 0.00 C ATOM 1346 O LYS A 667 -19.833 -7.023 -0.878 1.00 0.00 O ATOM 1347 CB LYS A 667 -16.824 -6.282 0.249 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.406 -5.157 -0.684 1.00 0.00 C ATOM 1349 CD LYS A 667 -15.606 -4.091 0.050 1.00 0.00 C ATOM 1350 CE LYS A 667 -16.361 -3.543 1.251 1.00 0.00 C ATOM 1351 NZ LYS A 667 -17.619 -2.846 0.864 1.00 0.00 N ATOM 0 H LYS A 667 -15.647 -7.834 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 667 -17.911 -8.113 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -17.498 -5.877 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -15.941 -6.647 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -15.809 -5.563 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -17.292 -4.705 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -14.656 -4.512 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -15.373 -3.276 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -16.597 -4.361 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -15.718 -2.851 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -18.096 -2.491 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -17.395 -2.048 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -18.246 -3.511 0.368 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.375 -6.600 -2.543 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.380 -6.068 -3.450 1.00 0.00 C ATOM 1367 C ARG A 668 -20.372 -7.142 -3.854 1.00 0.00 C ATOM 1368 O ARG A 668 -21.460 -6.856 -4.350 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.714 -5.490 -4.698 1.00 0.00 C ATOM 1370 CG ARG A 668 -19.577 -4.494 -5.457 1.00 0.00 C ATOM 1371 CD ARG A 668 -19.119 -4.344 -6.899 1.00 0.00 C ATOM 1372 NE ARG A 668 -17.662 -4.326 -7.017 1.00 0.00 N ATOM 1373 CZ ARG A 668 -16.966 -5.233 -7.702 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -17.595 -6.183 -8.385 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -15.641 -5.181 -7.719 1.00 0.00 N ATOM 0 H ARG A 668 -17.434 -6.636 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 668 -19.918 -5.277 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -17.784 -5.001 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -18.448 -6.308 -5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -20.616 -4.822 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -19.539 -3.525 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -19.520 -5.165 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -19.527 -3.422 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 668 -17.150 -3.578 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -18.614 -6.220 -8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -17.059 -6.875 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -15.153 -4.446 -7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -15.110 -5.876 -8.244 1.00 0.00 H new ATOM 1389 N ARG A 669 -19.956 -8.365 -3.633 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.729 -9.560 -3.971 1.00 0.00 C ATOM 1391 C ARG A 669 -22.169 -9.484 -3.472 1.00 0.00 C ATOM 1392 O ARG A 669 -23.085 -9.961 -4.143 1.00 0.00 O ATOM 1393 CB ARG A 669 -20.035 -10.791 -3.395 1.00 0.00 C ATOM 1394 CG ARG A 669 -20.724 -12.112 -3.693 1.00 0.00 C ATOM 1395 CD ARG A 669 -19.976 -13.270 -3.051 1.00 0.00 C ATOM 1396 NE ARG A 669 -19.865 -13.106 -1.599 1.00 0.00 N ATOM 1397 CZ ARG A 669 -18.991 -13.760 -0.830 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -18.129 -14.616 -1.370 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -18.973 -13.543 0.482 1.00 0.00 N ATOM 0 H ARG A 669 -19.054 -8.574 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 669 -20.775 -9.630 -5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -19.018 -10.832 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -19.958 -10.674 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -21.748 -12.085 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -20.780 -12.263 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -20.492 -14.204 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -18.979 -13.345 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 669 -20.498 -12.448 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -18.133 -14.776 -2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -17.464 -15.112 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -19.626 -12.879 0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -18.307 -14.041 1.072 1.00 0.00 H new ATOM 1413 N SER A 670 -22.383 -8.882 -2.310 1.00 0.00 N ATOM 1414 CA SER A 670 -23.739 -8.749 -1.808 1.00 0.00 C ATOM 1415 C SER A 670 -24.334 -7.378 -2.160 1.00 0.00 C ATOM 1416 O SER A 670 -25.445 -7.327 -2.687 1.00 0.00 O ATOM 1417 CB SER A 670 -23.799 -9.049 -0.294 1.00 0.00 C ATOM 1418 OG SER A 670 -24.830 -8.317 0.350 1.00 0.00 O ATOM 0 H SER A 670 -21.656 -8.488 -1.713 1.00 0.00 H new ATOM 0 HA SER A 670 -24.361 -9.493 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 670 -23.962 -10.116 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 670 -22.840 -8.804 0.163 1.00 0.00 H new ATOM 0 HG SER A 670 -24.838 -8.534 1.306 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.602 -6.277 -1.906 1.00 0.00 N ATOM 1425 CA ARG A 671 -23.995 -4.963 -2.413 1.00 0.00 C ATOM 1426 C ARG A 671 -23.012 -3.880 -1.976 1.00 0.00 C ATOM 1427 O ARG A 671 -23.266 -3.163 -1.006 1.00 0.00 O ATOM 1428 CB ARG A 671 -25.400 -4.580 -1.935 1.00 0.00 C ATOM 1429 CG ARG A 671 -26.354 -4.236 -3.068 1.00 0.00 C ATOM 1430 CD ARG A 671 -25.837 -3.080 -3.908 1.00 0.00 C ATOM 1431 NE ARG A 671 -26.711 -2.799 -5.043 1.00 0.00 N ATOM 1432 CZ ARG A 671 -26.492 -1.826 -5.927 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -25.445 -1.025 -5.785 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -27.323 -1.658 -6.947 1.00 0.00 N ATOM 0 H ARG A 671 -22.743 -6.278 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 671 -23.990 -5.033 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -25.816 -5.406 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -25.326 -3.726 -1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -26.496 -5.111 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -27.330 -3.979 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -25.752 -2.189 -3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -24.836 -3.313 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 671 -27.539 -3.382 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -24.807 -1.154 -4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -25.277 -0.280 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -28.129 -2.273 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -27.156 -0.913 -7.624 1.00 0.00 H new ATOM 1448 N LEU A 672 -21.893 -3.787 -2.688 1.00 0.00 N ATOM 1449 CA LEU A 672 -20.912 -2.711 -2.483 1.00 0.00 C ATOM 1450 C LEU A 672 -20.226 -2.845 -1.126 1.00 0.00 C ATOM 1451 O LEU A 672 -19.333 -3.704 -0.997 1.00 0.00 O ATOM 1452 CB LEU A 672 -21.598 -1.346 -2.592 1.00 0.00 C ATOM 1453 CG LEU A 672 -22.081 -0.947 -3.989 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -22.843 0.364 -3.922 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -20.914 -0.830 -4.955 1.00 0.00 C ATOM 1456 OXT LEU A 672 -20.572 -2.093 -0.198 1.00 0.00 O ATOM 0 H LEU A 672 -21.636 -4.448 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 672 -20.151 -2.793 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -22.454 -1.337 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -20.904 -0.584 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 672 -22.748 -1.727 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -23.182 0.639 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -23.705 0.251 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -22.190 1.145 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -21.284 -0.546 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -20.219 -0.071 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -20.401 -1.789 -5.023 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 2.925 -7.307 11.420 1.00 0.00 N ATOM 1470 CA ASP B 840 1.596 -6.741 11.595 1.00 0.00 C ATOM 1471 C ASP B 840 1.350 -5.658 10.557 1.00 0.00 C ATOM 1472 O ASP B 840 0.906 -4.557 10.883 1.00 0.00 O ATOM 1473 CB ASP B 840 1.408 -6.162 13.007 1.00 0.00 C ATOM 1474 CG ASP B 840 1.364 -7.224 14.085 1.00 0.00 C ATOM 1475 OD1 ASP B 840 0.264 -7.751 14.365 1.00 0.00 O ATOM 1476 OD2 ASP B 840 2.424 -7.526 14.676 1.00 0.00 O ATOM 0 HA ASP B 840 0.873 -7.546 11.463 1.00 0.00 H new ATOM 0 HB2 ASP B 840 2.223 -5.470 13.221 1.00 0.00 H new ATOM 0 HB3 ASP B 840 0.484 -5.585 13.036 1.00 0.00 H new ATOM 1481 N ALA B 841 1.651 -5.972 9.305 1.00 0.00 N ATOM 1482 CA ALA B 841 1.473 -5.021 8.215 1.00 0.00 C ATOM 1483 C ALA B 841 0.087 -5.144 7.603 1.00 0.00 C ATOM 1484 O ALA B 841 -0.383 -4.240 6.916 1.00 0.00 O ATOM 1485 CB ALA B 841 2.530 -5.230 7.146 1.00 0.00 C ATOM 0 H ALA B 841 2.020 -6.879 9.018 1.00 0.00 H new ATOM 0 HA ALA B 841 1.580 -4.018 8.628 1.00 0.00 H new ATOM 0 HB1 ALA B 841 2.380 -4.511 6.341 1.00 0.00 H new ATOM 0 HB2 ALA B 841 3.520 -5.088 7.580 1.00 0.00 H new ATOM 0 HB3 ALA B 841 2.450 -6.242 6.748 1.00 0.00 H new ATOM 1491 N GLY B 842 -0.559 -6.267 7.871 1.00 0.00 N ATOM 1492 CA GLY B 842 -1.867 -6.522 7.327 1.00 0.00 C ATOM 1493 C GLY B 842 -1.841 -7.582 6.248 1.00 0.00 C ATOM 1494 O GLY B 842 -1.680 -7.272 5.069 1.00 0.00 O ATOM 0 H GLY B 842 -0.192 -7.012 8.463 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.536 -6.837 8.127 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -2.274 -5.598 6.916 1.00 0.00 H new ATOM 1498 N ASN B 843 -1.971 -8.840 6.657 1.00 0.00 N ATOM 1499 CA ASN B 843 -2.051 -9.946 5.701 1.00 0.00 C ATOM 1500 C ASN B 843 -3.318 -9.811 4.872 1.00 0.00 C ATOM 1501 O ASN B 843 -3.334 -10.103 3.675 1.00 0.00 O ATOM 1502 CB ASN B 843 -2.021 -11.306 6.415 1.00 0.00 C ATOM 1503 CG ASN B 843 -0.616 -11.747 6.808 1.00 0.00 C ATOM 1504 OD1 ASN B 843 0.288 -10.794 7.011 1.00 0.00 O flip ATOM 1505 ND2 ASN B 843 -0.341 -12.943 6.918 1.00 0.00 N flip ATOM 0 H ASN B 843 -2.023 -9.121 7.636 1.00 0.00 H new ATOM 0 HA ASN B 843 -1.181 -9.899 5.046 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -2.642 -11.253 7.309 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -2.463 -12.061 5.764 1.00 0.00 H new ATOM 0 HD21 ASN B 843 -1.059 -13.649 6.755 1.00 0.00 H new ATOM 0 HD22 ASN B 843 0.605 -13.228 7.172 1.00 0.00 H new ATOM 1512 N ILE B 844 -4.378 -9.364 5.526 1.00 0.00 N ATOM 1513 CA ILE B 844 -5.603 -8.984 4.842 1.00 0.00 C ATOM 1514 C ILE B 844 -5.935 -7.540 5.205 1.00 0.00 C ATOM 1515 O ILE B 844 -5.948 -7.187 6.387 1.00 0.00 O ATOM 1516 CB ILE B 844 -6.804 -9.897 5.201 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -6.416 -11.375 5.065 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -7.988 -9.579 4.296 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -7.551 -12.335 5.352 1.00 0.00 C ATOM 0 H ILE B 844 -4.414 -9.255 6.540 1.00 0.00 H new ATOM 0 HA ILE B 844 -5.433 -9.094 3.771 1.00 0.00 H new ATOM 0 HB ILE B 844 -7.088 -9.709 6.237 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -6.049 -11.553 4.054 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -5.592 -11.588 5.745 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -8.827 -10.225 4.555 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -8.278 -8.537 4.429 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -7.707 -9.748 3.256 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -7.199 -13.360 5.235 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -7.904 -12.187 6.373 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -8.369 -12.151 4.655 1.00 0.00 H new ATOM 1531 N LEU B 845 -6.186 -6.702 4.205 1.00 0.00 N ATOM 1532 CA LEU B 845 -6.387 -5.284 4.447 1.00 0.00 C ATOM 1533 C LEU B 845 -7.799 -5.012 4.962 1.00 0.00 C ATOM 1534 O LEU B 845 -8.775 -5.560 4.447 1.00 0.00 O ATOM 1535 CB LEU B 845 -6.089 -4.471 3.180 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.624 -4.510 2.727 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -4.418 -5.525 1.608 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -4.157 -3.129 2.295 1.00 0.00 C ATOM 0 H LEU B 845 -6.254 -6.981 3.226 1.00 0.00 H new ATOM 0 HA LEU B 845 -5.688 -4.967 5.221 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.716 -4.842 2.370 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -6.374 -3.434 3.354 1.00 0.00 H new ATOM 0 HG LEU B 845 -4.020 -4.826 3.578 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.370 -5.529 1.309 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.698 -6.517 1.961 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -5.038 -5.255 0.753 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -3.115 -3.180 1.978 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.772 -2.780 1.466 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -4.248 -2.436 3.131 1.00 0.00 H new ATOM 1550 N PRO B 846 -7.895 -4.163 6.006 1.00 0.00 N ATOM 1551 CA PRO B 846 -9.142 -3.865 6.731 1.00 0.00 C ATOM 1552 C PRO B 846 -10.352 -3.624 5.836 1.00 0.00 C ATOM 1553 O PRO B 846 -10.317 -2.800 4.915 1.00 0.00 O ATOM 1554 CB PRO B 846 -8.797 -2.584 7.482 1.00 0.00 C ATOM 1555 CG PRO B 846 -7.343 -2.692 7.751 1.00 0.00 C ATOM 1556 CD PRO B 846 -6.754 -3.414 6.572 1.00 0.00 C ATOM 0 HA PRO B 846 -9.438 -4.709 7.353 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -9.026 -1.701 6.886 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -9.367 -2.501 8.407 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.894 -1.706 7.868 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -7.157 -3.239 8.675 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -6.334 -2.717 5.846 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.948 -4.083 6.875 1.00 0.00 H new ATOM 1564 N SER B 847 -11.428 -4.340 6.150 1.00 0.00 N ATOM 1565 CA SER B 847 -12.697 -4.221 5.452 1.00 0.00 C ATOM 1566 C SER B 847 -13.227 -2.789 5.507 1.00 0.00 C ATOM 1567 O SER B 847 -13.775 -2.290 4.530 1.00 0.00 O ATOM 1568 CB SER B 847 -13.709 -5.185 6.071 1.00 0.00 C ATOM 1569 OG SER B 847 -13.701 -5.088 7.486 1.00 0.00 O ATOM 0 H SER B 847 -11.440 -5.026 6.905 1.00 0.00 H new ATOM 0 HA SER B 847 -12.543 -4.477 4.404 1.00 0.00 H new ATOM 0 HB2 SER B 847 -14.707 -4.963 5.693 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.475 -6.206 5.771 1.00 0.00 H new ATOM 0 HG SER B 847 -14.357 -5.712 7.860 1.00 0.00 H new ATOM 1575 N ASP B 848 -13.057 -2.140 6.659 1.00 0.00 N ATOM 1576 CA ASP B 848 -13.563 -0.782 6.876 1.00 0.00 C ATOM 1577 C ASP B 848 -13.035 0.193 5.823 1.00 0.00 C ATOM 1578 O ASP B 848 -13.797 0.979 5.258 1.00 0.00 O ATOM 1579 CB ASP B 848 -13.174 -0.279 8.267 1.00 0.00 C ATOM 1580 CG ASP B 848 -13.865 1.021 8.624 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.325 2.100 8.304 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -14.951 0.969 9.237 1.00 0.00 O ATOM 0 H ASP B 848 -12.569 -2.536 7.463 1.00 0.00 H new ATOM 0 HA ASP B 848 -14.649 -0.828 6.792 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -13.426 -1.037 9.008 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -12.094 -0.137 8.311 1.00 0.00 H new ATOM 1587 N ILE B 849 -11.729 0.143 5.566 1.00 0.00 N ATOM 1588 CA ILE B 849 -11.118 1.013 4.562 1.00 0.00 C ATOM 1589 C ILE B 849 -11.670 0.671 3.177 1.00 0.00 C ATOM 1590 O ILE B 849 -11.955 1.556 2.371 1.00 0.00 O ATOM 1591 CB ILE B 849 -9.568 0.899 4.552 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -9.008 0.952 5.983 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.958 2.017 3.709 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -9.245 2.265 6.710 1.00 0.00 C ATOM 0 H ILE B 849 -11.077 -0.486 6.035 1.00 0.00 H new ATOM 0 HA ILE B 849 -11.370 2.041 4.822 1.00 0.00 H new ATOM 0 HB ILE B 849 -9.301 -0.062 4.111 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -9.455 0.145 6.564 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.935 0.761 5.946 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.872 1.924 3.712 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -9.326 1.943 2.686 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -9.240 2.983 4.127 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -8.816 2.210 7.710 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.773 3.077 6.157 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -10.316 2.451 6.784 1.00 0.00 H new ATOM 1606 N MET B 850 -11.837 -0.626 2.930 1.00 0.00 N ATOM 1607 CA MET B 850 -12.391 -1.123 1.669 1.00 0.00 C ATOM 1608 C MET B 850 -13.827 -0.636 1.479 1.00 0.00 C ATOM 1609 O MET B 850 -14.237 -0.288 0.371 1.00 0.00 O ATOM 1610 CB MET B 850 -12.367 -2.660 1.644 1.00 0.00 C ATOM 1611 CG MET B 850 -10.982 -3.288 1.769 1.00 0.00 C ATOM 1612 SD MET B 850 -9.906 -2.953 0.358 1.00 0.00 S ATOM 1613 CE MET B 850 -9.142 -1.404 0.837 1.00 0.00 C ATOM 0 H MET B 850 -11.594 -1.361 3.594 1.00 0.00 H new ATOM 0 HA MET B 850 -11.775 -0.738 0.856 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.992 -3.031 2.457 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.820 -3.000 0.713 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.504 -2.917 2.676 1.00 0.00 H new ATOM 0 HG3 MET B 850 -11.090 -4.366 1.885 1.00 0.00 H new ATOM 0 HE1 MET B 850 -9.258 -0.677 0.033 1.00 0.00 H new ATOM 0 HE2 MET B 850 -9.621 -1.026 1.740 1.00 0.00 H new ATOM 0 HE3 MET B 850 -8.081 -1.566 1.030 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.590 -0.634 2.565 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.986 -0.207 2.533 1.00 0.00 C ATOM 1625 C ASP B 851 -16.129 1.229 2.060 1.00 0.00 C ATOM 1626 O ASP B 851 -17.052 1.537 1.312 1.00 0.00 O ATOM 1627 CB ASP B 851 -16.655 -0.367 3.909 1.00 0.00 C ATOM 1628 CG ASP B 851 -17.283 -1.734 4.085 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -18.256 -2.037 3.357 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -16.812 -2.513 4.936 1.00 0.00 O ATOM 0 H ASP B 851 -14.263 -0.925 3.486 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.491 -0.856 1.818 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -15.914 -0.206 4.692 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -17.419 0.400 4.031 1.00 0.00 H new ATOM 1635 N PHE B 852 -15.217 2.096 2.484 1.00 0.00 N ATOM 1636 CA PHE B 852 -15.321 3.522 2.182 1.00 0.00 C ATOM 1637 C PHE B 852 -15.437 3.768 0.677 1.00 0.00 C ATOM 1638 O PHE B 852 -16.338 4.478 0.233 1.00 0.00 O ATOM 1639 CB PHE B 852 -14.121 4.288 2.757 1.00 0.00 C ATOM 1640 CG PHE B 852 -14.189 5.781 2.545 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -15.359 6.479 2.809 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -13.085 6.487 2.083 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -15.427 7.845 2.615 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -13.150 7.853 1.888 1.00 0.00 C ATOM 1645 CZ PHE B 852 -14.322 8.532 2.154 1.00 0.00 C ATOM 0 H PHE B 852 -14.399 1.839 3.036 1.00 0.00 H new ATOM 0 HA PHE B 852 -16.231 3.892 2.654 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -14.052 4.086 3.826 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -13.207 3.907 2.301 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -16.227 5.948 3.171 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -12.165 5.961 1.874 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -16.344 8.375 2.824 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -12.285 8.389 1.528 1.00 0.00 H new ATOM 0 HZ PHE B 852 -14.374 9.600 2.002 1.00 0.00 H new ATOM 1655 N VAL B 853 -14.547 3.167 -0.106 1.00 0.00 N ATOM 1656 CA VAL B 853 -14.561 3.371 -1.552 1.00 0.00 C ATOM 1657 C VAL B 853 -15.826 2.787 -2.202 1.00 0.00 C ATOM 1658 O VAL B 853 -16.404 3.394 -3.103 1.00 0.00 O ATOM 1659 CB VAL B 853 -13.287 2.813 -2.240 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -13.144 1.309 -2.049 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -13.292 3.166 -3.721 1.00 0.00 C ATOM 0 H VAL B 853 -13.815 2.542 0.230 1.00 0.00 H new ATOM 0 HA VAL B 853 -14.571 4.450 -1.704 1.00 0.00 H new ATOM 0 HB VAL B 853 -12.425 3.280 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -12.238 0.963 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -13.082 1.082 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -14.010 0.804 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -12.393 2.769 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -14.172 2.732 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -13.314 4.250 -3.837 1.00 0.00 H new ATOM 1671 N LEU B 854 -16.239 1.600 -1.762 1.00 0.00 N ATOM 1672 CA LEU B 854 -17.452 0.971 -2.288 1.00 0.00 C ATOM 1673 C LEU B 854 -18.709 1.751 -1.896 1.00 0.00 C ATOM 1674 O LEU B 854 -19.610 1.934 -2.712 1.00 0.00 O ATOM 1675 CB LEU B 854 -17.582 -0.488 -1.812 1.00 0.00 C ATOM 1676 CG LEU B 854 -16.858 -1.571 -2.644 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -17.481 -1.740 -4.027 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -15.381 -1.262 -2.779 1.00 0.00 C ATOM 0 H LEU B 854 -15.756 1.056 -1.047 1.00 0.00 H new ATOM 0 HA LEU B 854 -17.361 0.980 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -17.210 -0.544 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -18.642 -0.739 -1.780 1.00 0.00 H new ATOM 0 HG LEU B 854 -16.974 -2.510 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -16.941 -2.511 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -18.526 -2.033 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -17.422 -0.797 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -14.899 -2.041 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -15.254 -0.300 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -14.926 -1.222 -1.789 1.00 0.00 H new ATOM 1690 N LYS B 855 -18.766 2.210 -0.647 1.00 0.00 N ATOM 1691 CA LYS B 855 -19.991 2.821 -0.122 1.00 0.00 C ATOM 1692 C LYS B 855 -20.122 4.294 -0.521 1.00 0.00 C ATOM 1693 O LYS B 855 -21.232 4.780 -0.742 1.00 0.00 O ATOM 1694 CB LYS B 855 -20.070 2.665 1.409 1.00 0.00 C ATOM 1695 CG LYS B 855 -21.404 3.112 2.014 1.00 0.00 C ATOM 1696 CD LYS B 855 -22.593 2.434 1.338 1.00 0.00 C ATOM 1697 CE LYS B 855 -22.525 0.913 1.428 1.00 0.00 C ATOM 1698 NZ LYS B 855 -22.606 0.423 2.829 1.00 0.00 N ATOM 0 H LYS B 855 -17.991 2.173 0.015 1.00 0.00 H new ATOM 0 HA LYS B 855 -20.829 2.289 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -19.898 1.620 1.666 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -19.265 3.242 1.864 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -21.414 2.883 3.080 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -21.501 4.194 1.919 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -23.517 2.781 1.801 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -22.630 2.732 0.290 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -23.340 0.481 0.847 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -21.595 0.567 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -22.607 -0.617 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -21.786 0.771 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -23.482 0.772 3.269 1.00 0.00 H new ATOM 1712 N ASN B 856 -19.008 5.006 -0.621 1.00 0.00 N ATOM 1713 CA ASN B 856 -19.052 6.410 -1.016 1.00 0.00 C ATOM 1714 C ASN B 856 -18.871 6.527 -2.523 1.00 0.00 C ATOM 1715 O ASN B 856 -17.947 5.950 -3.093 1.00 0.00 O ATOM 1716 CB ASN B 856 -17.964 7.207 -0.289 1.00 0.00 C ATOM 1717 CG ASN B 856 -18.017 8.700 -0.577 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -19.214 9.243 -0.749 1.00 0.00 O flip ATOM 1719 ND2 ASN B 856 -16.983 9.368 -0.616 1.00 0.00 N flip ATOM 0 H ASN B 856 -18.073 4.642 -0.437 1.00 0.00 H new ATOM 0 HA ASN B 856 -20.022 6.822 -0.740 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -18.063 7.048 0.785 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -16.986 6.823 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -16.079 8.916 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -17.031 10.373 -0.785 1.00 0.00 H new ATOM 1726 N THR B 857 -19.774 7.248 -3.165 1.00 0.00 N ATOM 1727 CA THR B 857 -19.733 7.421 -4.603 1.00 0.00 C ATOM 1728 C THR B 857 -19.266 8.833 -4.960 1.00 0.00 C ATOM 1729 O THR B 857 -20.057 9.779 -4.933 1.00 0.00 O ATOM 1730 CB THR B 857 -21.122 7.160 -5.215 1.00 0.00 C ATOM 1731 OG1 THR B 857 -21.661 5.944 -4.678 1.00 0.00 O ATOM 1732 CG2 THR B 857 -21.043 7.051 -6.731 1.00 0.00 C ATOM 0 H THR B 857 -20.550 7.726 -2.707 1.00 0.00 H new ATOM 0 HA THR B 857 -19.024 6.702 -5.013 1.00 0.00 H new ATOM 0 HB THR B 857 -21.770 8.000 -4.964 1.00 0.00 H new ATOM 0 HG1 THR B 857 -22.546 5.779 -5.066 1.00 0.00 H new ATOM 0 HG21 THR B 857 -22.038 6.867 -7.135 1.00 0.00 H new ATOM 0 HG22 THR B 857 -20.651 7.981 -7.143 1.00 0.00 H new ATOM 0 HG23 THR B 857 -20.383 6.227 -7.003 1.00 0.00 H new ATOM 1740 N PRO B 858 -17.970 8.997 -5.273 1.00 0.00 N ATOM 1741 CA PRO B 858 -17.395 10.293 -5.636 1.00 0.00 C ATOM 1742 C PRO B 858 -17.833 10.737 -7.027 1.00 0.00 C ATOM 1743 O PRO B 858 -18.734 11.599 -7.125 1.00 0.00 O ATOM 1744 CB PRO B 858 -15.875 10.054 -5.599 1.00 0.00 C ATOM 1745 CG PRO B 858 -15.691 8.695 -5.006 1.00 0.00 C ATOM 1746 CD PRO B 858 -16.953 7.939 -5.297 1.00 0.00 C ATOM 1747 OXT PRO B 858 -17.300 10.199 -8.021 1.00 0.00 O ATOM 0 HA PRO B 858 -17.719 11.084 -4.960 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -15.447 10.105 -6.600 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -15.374 10.814 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -14.827 8.193 -5.442 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -15.514 8.759 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -16.912 7.438 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -17.148 7.172 -4.548 1.00 0.00 H new TER 1755 PRO B 858