USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 583 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 Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.24) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc=-0.00106 K(o=-0.0011,f=-2.1!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.035 18.094 8.817 1.00 0.00 N ATOM 575 CA ASN A 56 -2.160 17.330 7.909 1.00 0.00 C ATOM 576 C ASN A 56 -1.843 15.913 8.438 1.00 0.00 C ATOM 577 O ASN A 56 -1.478 15.030 7.662 1.00 0.00 O ATOM 578 CB ASN A 56 -0.872 18.123 7.603 1.00 0.00 C ATOM 579 CG ASN A 56 -1.068 19.217 6.568 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.844 19.032 5.380 1.00 0.00 O ATOM 581 ND2 ASN A 56 -1.476 20.397 6.978 1.00 0.00 N ATOM 0 HA ASN A 56 -2.707 17.189 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.501 18.569 8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.105 17.433 7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.605 21.154 6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.664 20.556 7.968 1.00 0.00 H new ATOM 588 N SER A 57 -2.037 15.655 9.737 1.00 0.00 N ATOM 589 CA SER A 57 -1.878 14.327 10.350 1.00 0.00 C ATOM 590 C SER A 57 -2.834 13.302 9.721 1.00 0.00 C ATOM 591 O SER A 57 -2.456 12.154 9.485 1.00 0.00 O ATOM 592 CB SER A 57 -2.109 14.413 11.862 1.00 0.00 C ATOM 593 OG SER A 57 -1.244 15.382 12.437 1.00 0.00 O ATOM 0 H SER A 57 -2.314 16.375 10.405 1.00 0.00 H new ATOM 0 HA SER A 57 -0.858 13.990 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.147 14.676 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.932 13.440 12.320 1.00 0.00 H new ATOM 0 HG SER A 57 -1.402 15.429 13.403 1.00 0.00 H new ATOM 599 N HIS A 58 -4.065 13.721 9.384 1.00 0.00 N ATOM 600 CA HIS A 58 -5.046 12.880 8.680 1.00 0.00 C ATOM 601 C HIS A 58 -4.598 12.589 7.240 1.00 0.00 C ATOM 602 O HIS A 58 -4.716 11.452 6.781 1.00 0.00 O ATOM 603 CB HIS A 58 -6.432 13.550 8.704 1.00 0.00 C ATOM 604 CG HIS A 58 -7.460 12.832 7.858 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.230 13.407 6.863 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.742 11.493 7.896 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.968 12.428 6.299 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.688 11.257 6.911 1.00 0.00 N ATOM 0 H HIS A 58 -4.409 14.658 9.594 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.114 11.924 9.199 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.787 13.596 9.733 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.337 14.578 8.353 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.311 10.762 8.564 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.670 12.560 5.489 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.102 10.352 6.686 1.00 0.00 H new ATOM 617 N PHE A 59 -4.043 13.589 6.541 1.00 0.00 N ATOM 618 CA PHE A 59 -3.515 13.431 5.180 1.00 0.00 C ATOM 619 C PHE A 59 -2.478 12.309 5.103 1.00 0.00 C ATOM 620 O PHE A 59 -2.575 11.457 4.221 1.00 0.00 O ATOM 621 CB PHE A 59 -2.920 14.746 4.654 1.00 0.00 C ATOM 622 CG PHE A 59 -2.587 14.688 3.174 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.339 14.198 2.737 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.546 15.091 2.226 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.057 14.107 1.362 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.261 15.009 0.851 1.00 0.00 C ATOM 627 CZ PHE A 59 -2.017 14.514 0.418 1.00 0.00 C ATOM 0 H PHE A 59 -3.948 14.536 6.907 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.356 13.157 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.627 15.556 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.017 14.982 5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.598 13.892 3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.504 15.465 2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.103 13.724 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.997 15.326 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.800 14.447 -0.638 1.00 0.00 H new ATOM 637 N PHE A 60 -1.530 12.271 6.050 1.00 0.00 N ATOM 638 CA PHE A 60 -0.539 11.199 6.164 1.00 0.00 C ATOM 639 C PHE A 60 -1.203 9.822 6.242 1.00 0.00 C ATOM 640 O PHE A 60 -0.896 8.952 5.434 1.00 0.00 O ATOM 641 CB PHE A 60 0.348 11.417 7.396 1.00 0.00 C ATOM 642 CG PHE A 60 1.200 10.204 7.732 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.065 9.676 6.759 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.057 9.540 8.970 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.757 8.484 7.010 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.774 8.357 9.227 1.00 0.00 C ATOM 647 CZ PHE A 60 2.615 7.822 8.237 1.00 0.00 C ATOM 0 H PHE A 60 -1.431 12.992 6.764 1.00 0.00 H new ATOM 0 HA PHE A 60 0.077 11.228 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.998 12.275 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.281 11.662 8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.196 10.189 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.395 9.942 9.723 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.406 8.072 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.678 7.862 10.182 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.151 6.903 8.421 1.00 0.00 H new ATOM 657 N VAL A 61 -2.132 9.627 7.183 1.00 0.00 N ATOM 658 CA VAL A 61 -2.856 8.357 7.353 1.00 0.00 C ATOM 659 C VAL A 61 -3.549 7.937 6.050 1.00 0.00 C ATOM 660 O VAL A 61 -3.501 6.764 5.690 1.00 0.00 O ATOM 661 CB VAL A 61 -3.851 8.452 8.526 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.653 7.153 8.684 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.141 8.746 9.859 1.00 0.00 C ATOM 0 H VAL A 61 -2.406 10.346 7.852 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.132 7.579 7.596 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.523 9.276 8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.346 7.252 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.213 6.958 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.970 6.325 8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.879 8.805 10.659 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.432 7.948 10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.608 9.694 9.786 1.00 0.00 H new ATOM 673 N ALA A 62 -4.121 8.885 5.301 1.00 0.00 N ATOM 674 CA ALA A 62 -4.727 8.653 3.983 1.00 0.00 C ATOM 675 C ALA A 62 -3.706 8.196 2.916 1.00 0.00 C ATOM 676 O ALA A 62 -3.852 7.112 2.344 1.00 0.00 O ATOM 677 CB ALA A 62 -5.498 9.911 3.547 1.00 0.00 C ATOM 0 H ALA A 62 -4.178 9.859 5.600 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.426 7.822 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.948 9.741 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.280 10.128 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.812 10.756 3.488 1.00 0.00 H new ATOM 683 N THR A 63 -2.676 9.003 2.634 1.00 0.00 N ATOM 684 CA THR A 63 -1.636 8.682 1.635 1.00 0.00 C ATOM 685 C THR A 63 -0.878 7.391 1.983 1.00 0.00 C ATOM 686 O THR A 63 -0.657 6.539 1.118 1.00 0.00 O ATOM 687 CB THR A 63 -0.684 9.874 1.408 1.00 0.00 C ATOM 688 OG1 THR A 63 0.189 9.602 0.334 1.00 0.00 O ATOM 689 CG2 THR A 63 0.171 10.265 2.599 1.00 0.00 C ATOM 0 H THR A 63 -2.535 9.903 3.092 1.00 0.00 H new ATOM 0 HA THR A 63 -2.145 8.494 0.690 1.00 0.00 H new ATOM 0 HB THR A 63 -1.352 10.711 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.788 10.366 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.802 11.112 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.473 10.542 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.799 9.422 2.889 1.00 0.00 H new ATOM 697 N PHE A 64 -0.569 7.182 3.268 1.00 0.00 N ATOM 698 CA PHE A 64 0.052 5.968 3.785 1.00 0.00 C ATOM 699 C PHE A 64 -0.866 4.754 3.598 1.00 0.00 C ATOM 700 O PHE A 64 -0.412 3.728 3.096 1.00 0.00 O ATOM 701 CB PHE A 64 0.436 6.175 5.258 1.00 0.00 C ATOM 702 CG PHE A 64 1.253 5.034 5.821 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.600 3.863 6.237 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.659 5.105 5.868 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.347 2.750 6.640 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.400 3.991 6.295 1.00 0.00 C ATOM 707 CZ PHE A 64 2.744 2.812 6.673 1.00 0.00 C ATOM 0 H PHE A 64 -0.751 7.876 3.993 1.00 0.00 H new ATOM 0 HA PHE A 64 0.961 5.762 3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.002 7.102 5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.471 6.293 5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.479 3.821 6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.166 6.013 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.842 1.839 6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.478 4.043 6.332 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.316 1.952 6.989 1.00 0.00 H new ATOM 717 N ALA A 65 -2.154 4.855 3.954 1.00 0.00 N ATOM 718 CA ALA A 65 -3.135 3.786 3.760 1.00 0.00 C ATOM 719 C ALA A 65 -3.244 3.337 2.298 1.00 0.00 C ATOM 720 O ALA A 65 -3.183 2.137 2.034 1.00 0.00 O ATOM 721 CB ALA A 65 -4.502 4.202 4.310 1.00 0.00 C ATOM 0 H ALA A 65 -2.545 5.691 4.389 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.778 2.923 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.217 3.394 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.416 4.413 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.847 5.096 3.790 1.00 0.00 H new ATOM 727 N ARG A 66 -3.365 4.267 1.342 1.00 0.00 N ATOM 728 CA ARG A 66 -3.407 3.926 -0.091 1.00 0.00 C ATOM 729 C ARG A 66 -2.168 3.142 -0.536 1.00 0.00 C ATOM 730 O ARG A 66 -2.298 2.147 -1.248 1.00 0.00 O ATOM 731 CB ARG A 66 -3.630 5.199 -0.925 1.00 0.00 C ATOM 732 CG ARG A 66 -3.679 4.951 -2.444 1.00 0.00 C ATOM 733 CD ARG A 66 -4.751 3.930 -2.859 1.00 0.00 C ATOM 734 NE ARG A 66 -4.815 3.773 -4.325 1.00 0.00 N ATOM 735 CZ ARG A 66 -5.431 4.555 -5.195 1.00 0.00 C ATOM 736 NH1 ARG A 66 -6.089 5.618 -4.827 1.00 0.00 N ATOM 737 NH2 ARG A 66 -5.391 4.282 -6.467 1.00 0.00 N ATOM 0 H ARG A 66 -3.436 5.266 1.534 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.251 3.258 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.564 5.667 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.831 5.908 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.870 5.896 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.703 4.600 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.533 2.966 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.723 4.250 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.326 2.966 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.141 5.870 -3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.552 6.198 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.883 3.461 -6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.868 4.889 -7.134 1.00 0.00 H new ATOM 751 N GLU A 67 -0.982 3.556 -0.094 1.00 0.00 N ATOM 752 CA GLU A 67 0.267 2.842 -0.353 1.00 0.00 C ATOM 753 C GLU A 67 0.271 1.459 0.318 1.00 0.00 C ATOM 754 O GLU A 67 0.326 0.450 -0.388 1.00 0.00 O ATOM 755 CB GLU A 67 1.461 3.697 0.091 1.00 0.00 C ATOM 756 CG GLU A 67 1.833 4.801 -0.913 1.00 0.00 C ATOM 757 CD GLU A 67 2.323 4.266 -2.278 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.973 3.195 -2.345 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.066 4.929 -3.312 1.00 0.00 O ATOM 0 H GLU A 67 -0.860 4.404 0.459 1.00 0.00 H new ATOM 0 HA GLU A 67 0.354 2.669 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.232 4.155 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.325 3.050 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.964 5.440 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.612 5.427 -0.478 1.00 0.00 H new ATOM 766 N ARG A 68 0.169 1.378 1.658 1.00 0.00 N ATOM 767 CA ARG A 68 0.237 0.108 2.412 1.00 0.00 C ATOM 768 C ARG A 68 -0.770 -0.930 1.909 1.00 0.00 C ATOM 769 O ARG A 68 -0.432 -2.105 1.798 1.00 0.00 O ATOM 770 CB ARG A 68 0.161 0.324 3.948 1.00 0.00 C ATOM 771 CG ARG A 68 -1.166 0.851 4.516 1.00 0.00 C ATOM 772 CD ARG A 68 -1.768 0.033 5.676 1.00 0.00 C ATOM 773 NE ARG A 68 -1.326 0.494 7.010 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.753 1.554 7.682 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.693 2.331 7.225 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.227 1.880 8.828 1.00 0.00 N ATOM 0 H ARG A 68 0.036 2.196 2.253 1.00 0.00 H new ATOM 0 HA ARG A 68 1.223 -0.312 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.384 -0.626 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.950 1.020 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.013 1.874 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.896 0.892 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.855 0.087 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.494 -1.015 5.553 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.609 -0.070 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.125 2.132 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.997 3.138 7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.474 1.316 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.568 2.699 9.331 1.00 0.00 H new ATOM 790 N ALA A 69 -1.969 -0.488 1.534 1.00 0.00 N ATOM 791 CA ALA A 69 -3.035 -1.319 0.972 1.00 0.00 C ATOM 792 C ALA A 69 -2.651 -1.942 -0.381 1.00 0.00 C ATOM 793 O ALA A 69 -2.801 -3.153 -0.567 1.00 0.00 O ATOM 794 CB ALA A 69 -4.303 -0.469 0.835 1.00 0.00 C ATOM 0 H ALA A 69 -2.235 0.493 1.616 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.210 -2.153 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.105 -1.077 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.601 -0.100 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.106 0.375 0.174 1.00 0.00 H new ATOM 800 N ALA A 70 -2.138 -1.138 -1.320 1.00 0.00 N ATOM 801 CA ALA A 70 -1.678 -1.625 -2.621 1.00 0.00 C ATOM 802 C ALA A 70 -0.554 -2.663 -2.474 1.00 0.00 C ATOM 803 O ALA A 70 -0.601 -3.713 -3.118 1.00 0.00 O ATOM 804 CB ALA A 70 -1.240 -0.434 -3.484 1.00 0.00 C ATOM 0 H ALA A 70 -2.031 -0.131 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.504 -2.135 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.897 -0.794 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.083 0.242 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.429 0.097 -2.986 1.00 0.00 H new ATOM 810 N VAL A 71 0.424 -2.407 -1.593 1.00 0.00 N ATOM 811 CA VAL A 71 1.494 -3.373 -1.287 1.00 0.00 C ATOM 812 C VAL A 71 0.932 -4.669 -0.699 1.00 0.00 C ATOM 813 O VAL A 71 1.347 -5.744 -1.119 1.00 0.00 O ATOM 814 CB VAL A 71 2.575 -2.784 -0.363 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.751 -3.758 -0.229 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.103 -1.454 -0.906 1.00 0.00 C ATOM 0 H VAL A 71 0.497 -1.532 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 71 1.973 -3.607 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 71 2.115 -2.617 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.507 -3.327 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.398 -4.699 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.185 -3.941 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.865 -1.063 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.538 -1.611 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.283 -0.740 -0.980 1.00 0.00 H new ATOM 826 N GLU A 72 -0.043 -4.593 0.213 1.00 0.00 N ATOM 827 CA GLU A 72 -0.705 -5.765 0.804 1.00 0.00 C ATOM 828 C GLU A 72 -1.389 -6.662 -0.249 1.00 0.00 C ATOM 829 O GLU A 72 -1.309 -7.888 -0.173 1.00 0.00 O ATOM 830 CB GLU A 72 -1.743 -5.322 1.853 1.00 0.00 C ATOM 831 CG GLU A 72 -1.740 -6.249 3.076 1.00 0.00 C ATOM 832 CD GLU A 72 -3.064 -6.185 3.870 1.00 0.00 C ATOM 833 OE1 GLU A 72 -4.154 -6.390 3.281 1.00 0.00 O ATOM 834 OE2 GLU A 72 -3.024 -5.962 5.105 1.00 0.00 O ATOM 0 H GLU A 72 -0.400 -3.706 0.567 1.00 0.00 H new ATOM 0 HA GLU A 72 0.078 -6.357 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.529 -4.301 2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.736 -5.315 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.565 -7.274 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.913 -5.977 3.732 1.00 0.00 H new ATOM 841 N GLU A 73 -2.047 -6.067 -1.253 1.00 0.00 N ATOM 842 CA GLU A 73 -2.670 -6.808 -2.361 1.00 0.00 C ATOM 843 C GLU A 73 -1.634 -7.397 -3.335 1.00 0.00 C ATOM 844 O GLU A 73 -1.832 -8.483 -3.884 1.00 0.00 O ATOM 845 CB GLU A 73 -3.640 -5.900 -3.133 1.00 0.00 C ATOM 846 CG GLU A 73 -4.718 -6.736 -3.850 1.00 0.00 C ATOM 847 CD GLU A 73 -5.527 -5.944 -4.901 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.577 -4.691 -4.857 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.140 -6.587 -5.789 1.00 0.00 O ATOM 0 H GLU A 73 -2.163 -5.056 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.214 -7.640 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.114 -5.199 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.088 -5.307 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.240 -7.585 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.405 -7.140 -3.106 1.00 0.00 H new ATOM 856 N LEU A 74 -0.499 -6.712 -3.526 1.00 0.00 N ATOM 857 CA LEU A 74 0.607 -7.179 -4.365 1.00 0.00 C ATOM 858 C LEU A 74 1.099 -8.569 -3.914 1.00 0.00 C ATOM 859 O LEU A 74 1.440 -9.403 -4.749 1.00 0.00 O ATOM 860 CB LEU A 74 1.712 -6.099 -4.386 1.00 0.00 C ATOM 861 CG LEU A 74 2.574 -6.095 -5.662 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.322 -4.767 -5.784 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.584 -7.249 -5.747 1.00 0.00 C ATOM 0 H LEU A 74 -0.323 -5.805 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 74 0.270 -7.319 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.248 -5.119 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.362 -6.245 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 74 1.875 -6.231 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.929 -4.773 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.604 -3.948 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.967 -4.631 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.149 -7.170 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.269 -7.197 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.052 -8.200 -5.725 1.00 0.00 H new ATOM 875 N LEU A 75 1.051 -8.853 -2.609 1.00 0.00 N ATOM 876 CA LEU A 75 1.450 -10.137 -2.016 1.00 0.00 C ATOM 877 C LEU A 75 0.535 -11.309 -2.424 1.00 0.00 C ATOM 878 O LEU A 75 0.996 -12.446 -2.502 1.00 0.00 O ATOM 879 CB LEU A 75 1.493 -10.039 -0.477 1.00 0.00 C ATOM 880 CG LEU A 75 2.006 -8.719 0.127 1.00 0.00 C ATOM 881 CD1 LEU A 75 2.163 -8.859 1.634 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.341 -8.270 -0.452 1.00 0.00 C ATOM 0 H LEU A 75 0.725 -8.179 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 75 2.445 -10.348 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.486 -10.216 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.120 -10.848 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 75 1.261 -7.964 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.526 -7.920 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.199 -9.105 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.877 -9.653 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.645 -7.334 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.096 -9.033 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.240 -8.121 -1.527 1.00 0.00 H new ATOM 894 N GLU A 76 -0.753 -11.054 -2.689 1.00 0.00 N ATOM 895 CA GLU A 76 -1.703 -12.055 -3.187 1.00 0.00 C ATOM 896 C GLU A 76 -1.447 -12.399 -4.663 1.00 0.00 C ATOM 897 O GLU A 76 -1.379 -13.581 -5.013 1.00 0.00 O ATOM 898 CB GLU A 76 -3.153 -11.568 -3.008 1.00 0.00 C ATOM 899 CG GLU A 76 -3.763 -11.994 -1.664 1.00 0.00 C ATOM 900 CD GLU A 76 -5.299 -11.822 -1.618 1.00 0.00 C ATOM 901 OE1 GLU A 76 -5.860 -10.929 -2.302 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.967 -12.588 -0.882 1.00 0.00 O ATOM 0 H GLU A 76 -1.170 -10.132 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.554 -12.960 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.178 -10.481 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.766 -11.959 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.514 -13.038 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.313 -11.406 -0.864 1.00 0.00 H new ATOM 909 N ARG A 77 -1.297 -11.388 -5.538 1.00 0.00 N ATOM 910 CA ARG A 77 -0.991 -11.612 -6.968 1.00 0.00 C ATOM 911 C ARG A 77 0.426 -12.161 -7.217 1.00 0.00 C ATOM 912 O ARG A 77 0.655 -12.810 -8.238 1.00 0.00 O ATOM 913 CB ARG A 77 -1.280 -10.356 -7.815 1.00 0.00 C ATOM 914 CG ARG A 77 -0.374 -9.159 -7.486 1.00 0.00 C ATOM 915 CD ARG A 77 -0.063 -8.267 -8.697 1.00 0.00 C ATOM 916 NE ARG A 77 1.322 -7.752 -8.613 1.00 0.00 N ATOM 917 CZ ARG A 77 1.921 -6.851 -9.372 1.00 0.00 C ATOM 918 NH1 ARG A 77 1.307 -6.256 -10.352 1.00 0.00 N ATOM 919 NH2 ARG A 77 3.169 -6.542 -9.152 1.00 0.00 N ATOM 0 H ARG A 77 -1.382 -10.404 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.670 -12.398 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.165 -10.607 -8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.320 -10.063 -7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.851 -8.555 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.563 -9.528 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.192 -8.835 -9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.766 -7.435 -8.735 1.00 0.00 H new ATOM 0 HE ARG A 77 1.893 -8.147 -7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.333 -6.480 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.800 -5.565 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.681 -6.996 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.633 -5.847 -9.737 1.00 0.00 H new ATOM 933 N ALA A 78 1.374 -11.909 -6.310 1.00 0.00 N ATOM 934 CA ALA A 78 2.759 -12.372 -6.387 1.00 0.00 C ATOM 935 C ALA A 78 2.877 -13.906 -6.261 1.00 0.00 C ATOM 936 O ALA A 78 2.750 -14.474 -5.175 1.00 0.00 O ATOM 937 CB ALA A 78 3.606 -11.638 -5.339 1.00 0.00 C ATOM 0 H ALA A 78 1.190 -11.357 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 78 3.145 -12.131 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.638 -11.984 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.572 -10.565 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.211 -11.842 -4.344 1.00 0.00 H new ATOM 943 N GLU A 79 3.141 -14.573 -7.388 1.00 0.00 N ATOM 944 CA GLU A 79 3.297 -16.033 -7.511 1.00 0.00 C ATOM 945 C GLU A 79 4.723 -16.470 -7.902 1.00 0.00 C ATOM 946 O GLU A 79 5.056 -17.652 -7.803 1.00 0.00 O ATOM 947 CB GLU A 79 2.276 -16.573 -8.529 1.00 0.00 C ATOM 948 CG GLU A 79 2.578 -16.135 -9.977 1.00 0.00 C ATOM 949 CD GLU A 79 1.595 -16.701 -11.024 1.00 0.00 C ATOM 950 OE1 GLU A 79 0.812 -17.637 -10.727 1.00 0.00 O ATOM 951 OE2 GLU A 79 1.618 -16.218 -12.183 1.00 0.00 O ATOM 0 H GLU A 79 3.258 -14.093 -8.281 1.00 0.00 H new ATOM 0 HA GLU A 79 3.112 -16.457 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.264 -17.662 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.279 -16.230 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.559 -15.046 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.589 -16.448 -10.237 1.00 0.00 H new ATOM 958 N SER A 80 5.556 -15.515 -8.330 1.00 0.00 N ATOM 959 CA SER A 80 6.956 -15.678 -8.745 1.00 0.00 C ATOM 960 C SER A 80 7.853 -14.737 -7.941 1.00 0.00 C ATOM 961 O SER A 80 7.410 -13.675 -7.493 1.00 0.00 O ATOM 962 CB SER A 80 7.119 -15.389 -10.244 1.00 0.00 C ATOM 963 OG SER A 80 6.443 -16.363 -11.024 1.00 0.00 O ATOM 0 H SER A 80 5.252 -14.544 -8.401 1.00 0.00 H new ATOM 0 HA SER A 80 7.249 -16.711 -8.555 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.726 -14.398 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.178 -15.380 -10.504 1.00 0.00 H new ATOM 0 HG SER A 80 6.559 -16.158 -11.975 1.00 0.00 H new ATOM 969 N VAL A 81 9.135 -15.095 -7.801 1.00 0.00 N ATOM 970 CA VAL A 81 10.146 -14.329 -7.042 1.00 0.00 C ATOM 971 C VAL A 81 10.239 -12.873 -7.527 1.00 0.00 C ATOM 972 O VAL A 81 10.399 -11.968 -6.718 1.00 0.00 O ATOM 973 CB VAL A 81 11.526 -15.025 -7.107 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.585 -14.281 -6.280 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.503 -16.478 -6.598 1.00 0.00 C ATOM 0 H VAL A 81 9.513 -15.945 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 81 9.825 -14.304 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 81 11.779 -15.014 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.538 -14.804 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.698 -13.266 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.272 -14.244 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.503 -16.905 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.177 -16.494 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.812 -17.065 -7.203 1.00 0.00 H new ATOM 985 N GLU A 82 10.060 -12.618 -8.828 1.00 0.00 N ATOM 986 CA GLU A 82 10.027 -11.276 -9.427 1.00 0.00 C ATOM 987 C GLU A 82 8.931 -10.368 -8.831 1.00 0.00 C ATOM 988 O GLU A 82 9.224 -9.290 -8.310 1.00 0.00 O ATOM 989 CB GLU A 82 9.879 -11.432 -10.951 1.00 0.00 C ATOM 990 CG GLU A 82 9.722 -10.088 -11.673 1.00 0.00 C ATOM 991 CD GLU A 82 10.347 -10.125 -13.080 1.00 0.00 C ATOM 992 OE1 GLU A 82 9.661 -10.532 -14.049 1.00 0.00 O ATOM 993 OE2 GLU A 82 11.534 -9.741 -13.226 1.00 0.00 O ATOM 0 H GLU A 82 9.930 -13.361 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 82 10.962 -10.768 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.753 -11.951 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.013 -12.058 -11.165 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.664 -9.837 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.194 -9.301 -11.085 1.00 0.00 H new ATOM 1000 N ARG A 83 7.662 -10.793 -8.903 1.00 0.00 N ATOM 1001 CA ARG A 83 6.509 -10.055 -8.349 1.00 0.00 C ATOM 1002 C ARG A 83 6.630 -9.898 -6.828 1.00 0.00 C ATOM 1003 O ARG A 83 6.338 -8.831 -6.292 1.00 0.00 O ATOM 1004 CB ARG A 83 5.199 -10.774 -8.722 1.00 0.00 C ATOM 1005 CG ARG A 83 4.915 -10.937 -10.230 1.00 0.00 C ATOM 1006 CD ARG A 83 4.468 -9.656 -10.950 1.00 0.00 C ATOM 1007 NE ARG A 83 5.586 -8.734 -11.238 1.00 0.00 N ATOM 1008 CZ ARG A 83 5.540 -7.655 -12.002 1.00 0.00 C ATOM 1009 NH1 ARG A 83 4.447 -7.273 -12.602 1.00 0.00 N ATOM 1010 NH2 ARG A 83 6.605 -6.932 -12.187 1.00 0.00 N ATOM 0 H ARG A 83 7.400 -11.670 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 83 6.498 -9.055 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.211 -11.764 -8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.369 -10.227 -8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.816 -11.313 -10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.143 -11.696 -10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.976 -9.924 -11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.728 -9.141 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 83 6.483 -8.951 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.589 -7.812 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.451 -6.435 -13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.484 -7.195 -11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.561 -6.101 -12.778 1.00 0.00 H new ATOM 1024 N LEU A 84 7.102 -10.944 -6.151 1.00 0.00 N ATOM 1025 CA LEU A 84 7.373 -10.966 -4.714 1.00 0.00 C ATOM 1026 C LEU A 84 8.424 -9.912 -4.299 1.00 0.00 C ATOM 1027 O LEU A 84 8.189 -9.127 -3.381 1.00 0.00 O ATOM 1028 CB LEU A 84 7.809 -12.398 -4.358 1.00 0.00 C ATOM 1029 CG LEU A 84 7.870 -12.657 -2.848 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.507 -13.088 -2.296 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.934 -13.703 -2.524 1.00 0.00 C ATOM 0 H LEU A 84 7.314 -11.832 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 84 6.475 -10.697 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.115 -13.105 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.790 -12.590 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 84 8.143 -11.720 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.588 -13.263 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.774 -12.302 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.188 -14.006 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.962 -13.873 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.693 -14.637 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.908 -13.348 -2.860 1.00 0.00 H new ATOM 1043 N GLU A 85 9.573 -9.863 -4.981 1.00 0.00 N ATOM 1044 CA GLU A 85 10.621 -8.857 -4.751 1.00 0.00 C ATOM 1045 C GLU A 85 10.153 -7.424 -5.046 1.00 0.00 C ATOM 1046 O GLU A 85 10.536 -6.503 -4.325 1.00 0.00 O ATOM 1047 CB GLU A 85 11.881 -9.143 -5.588 1.00 0.00 C ATOM 1048 CG GLU A 85 12.780 -10.237 -4.994 1.00 0.00 C ATOM 1049 CD GLU A 85 14.220 -10.148 -5.547 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.413 -10.021 -6.780 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.181 -10.201 -4.739 1.00 0.00 O ATOM 0 H GLU A 85 9.806 -10.528 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 85 10.857 -8.932 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.580 -9.438 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.458 -8.224 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.800 -10.144 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.361 -11.217 -5.222 1.00 0.00 H new ATOM 1058 N GLU A 86 9.315 -7.212 -6.069 1.00 0.00 N ATOM 1059 CA GLU A 86 8.754 -5.887 -6.375 1.00 0.00 C ATOM 1060 C GLU A 86 7.990 -5.312 -5.167 1.00 0.00 C ATOM 1061 O GLU A 86 8.237 -4.174 -4.763 1.00 0.00 O ATOM 1062 CB GLU A 86 7.887 -5.948 -7.644 1.00 0.00 C ATOM 1063 CG GLU A 86 7.597 -4.545 -8.195 1.00 0.00 C ATOM 1064 CD GLU A 86 6.781 -4.607 -9.503 1.00 0.00 C ATOM 1065 OE1 GLU A 86 5.566 -4.924 -9.457 1.00 0.00 O ATOM 1066 OE2 GLU A 86 7.354 -4.330 -10.585 1.00 0.00 O ATOM 0 H GLU A 86 9.008 -7.948 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 86 9.576 -5.200 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.395 -6.541 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.948 -6.454 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.049 -3.967 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.537 -4.023 -8.376 1.00 0.00 H new ATOM 1073 N ALA A 87 7.126 -6.110 -4.529 1.00 0.00 N ATOM 1074 CA ALA A 87 6.413 -5.726 -3.306 1.00 0.00 C ATOM 1075 C ALA A 87 7.356 -5.300 -2.163 1.00 0.00 C ATOM 1076 O ALA A 87 7.058 -4.352 -1.430 1.00 0.00 O ATOM 1077 CB ALA A 87 5.511 -6.886 -2.868 1.00 0.00 C ATOM 0 H ALA A 87 6.900 -7.051 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 87 5.810 -4.847 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.977 -6.609 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.793 -7.107 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.121 -7.769 -2.675 1.00 0.00 H new ATOM 1083 N ALA A 88 8.515 -5.952 -2.031 1.00 0.00 N ATOM 1084 CA ALA A 88 9.516 -5.620 -1.014 1.00 0.00 C ATOM 1085 C ALA A 88 10.158 -4.233 -1.227 1.00 0.00 C ATOM 1086 O ALA A 88 10.663 -3.624 -0.284 1.00 0.00 O ATOM 1087 CB ALA A 88 10.569 -6.733 -0.960 1.00 0.00 C ATOM 0 H ALA A 88 8.786 -6.731 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 88 9.009 -5.555 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.316 -6.490 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.088 -7.677 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.053 -6.824 -1.933 1.00 0.00 H new ATOM 1093 N SER A 89 10.112 -3.712 -2.456 1.00 0.00 N ATOM 1094 CA SER A 89 10.581 -2.369 -2.811 1.00 0.00 C ATOM 1095 C SER A 89 9.500 -1.328 -2.503 1.00 0.00 C ATOM 1096 O SER A 89 9.788 -0.278 -1.923 1.00 0.00 O ATOM 1097 CB SER A 89 10.952 -2.323 -4.298 1.00 0.00 C ATOM 1098 OG SER A 89 11.560 -1.082 -4.614 1.00 0.00 O ATOM 0 H SER A 89 9.738 -4.226 -3.253 1.00 0.00 H new ATOM 0 HA SER A 89 11.465 -2.136 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.633 -3.140 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.059 -2.464 -4.907 1.00 0.00 H new ATOM 0 HG SER A 89 11.794 -1.065 -5.566 1.00 0.00 H new ATOM 1104 N ARG A 90 8.231 -1.648 -2.805 1.00 0.00 N ATOM 1105 CA ARG A 90 7.078 -0.788 -2.496 1.00 0.00 C ATOM 1106 C ARG A 90 6.977 -0.463 -1.002 1.00 0.00 C ATOM 1107 O ARG A 90 6.792 0.701 -0.646 1.00 0.00 O ATOM 1108 CB ARG A 90 5.770 -1.410 -3.010 1.00 0.00 C ATOM 1109 CG ARG A 90 5.703 -1.745 -4.510 1.00 0.00 C ATOM 1110 CD ARG A 90 6.037 -0.564 -5.430 1.00 0.00 C ATOM 1111 NE ARG A 90 5.114 0.571 -5.225 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.263 1.811 -5.654 1.00 0.00 C ATOM 1113 NH1 ARG A 90 6.286 2.172 -6.378 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.381 2.720 -5.358 1.00 0.00 N ATOM 0 H ARG A 90 7.975 -2.517 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 90 7.240 0.155 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.586 -2.326 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.954 -0.725 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.393 -2.562 -4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.702 -2.105 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.060 -0.238 -5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.989 -0.888 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 90 4.267 0.375 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.000 1.488 -6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.372 3.138 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.568 2.477 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.502 3.676 -5.692 1.00 0.00 H new ATOM 1128 N LEU A 91 7.156 -1.456 -0.122 1.00 0.00 N ATOM 1129 CA LEU A 91 7.163 -1.224 1.332 1.00 0.00 C ATOM 1130 C LEU A 91 8.375 -0.397 1.795 1.00 0.00 C ATOM 1131 O LEU A 91 8.239 0.459 2.663 1.00 0.00 O ATOM 1132 CB LEU A 91 7.006 -2.559 2.083 1.00 0.00 C ATOM 1133 CG LEU A 91 8.291 -3.366 2.343 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.962 -2.992 3.670 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.939 -4.848 2.379 1.00 0.00 C ATOM 0 H LEU A 91 7.298 -2.430 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 91 6.300 -0.607 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.533 -2.354 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.319 -3.188 1.517 1.00 0.00 H new ATOM 0 HG LEU A 91 8.992 -3.138 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.863 -3.591 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.227 -1.935 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.273 -3.184 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.841 -5.432 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.219 -5.032 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.505 -5.142 1.424 1.00 0.00 H new ATOM 1147 N GLN A 92 9.558 -0.605 1.205 1.00 0.00 N ATOM 1148 CA GLN A 92 10.762 0.172 1.525 1.00 0.00 C ATOM 1149 C GLN A 92 10.630 1.660 1.158 1.00 0.00 C ATOM 1150 O GLN A 92 11.172 2.527 1.846 1.00 0.00 O ATOM 1151 CB GLN A 92 11.988 -0.472 0.848 1.00 0.00 C ATOM 1152 CG GLN A 92 12.612 -1.594 1.695 1.00 0.00 C ATOM 1153 CD GLN A 92 13.215 -1.094 3.009 1.00 0.00 C ATOM 1154 OE1 GLN A 92 13.911 -0.089 3.077 1.00 0.00 O ATOM 1155 NE2 GLN A 92 12.979 -1.774 4.112 1.00 0.00 N ATOM 0 H GLN A 92 9.708 -1.318 0.491 1.00 0.00 H new ATOM 0 HA GLN A 92 10.895 0.147 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.693 -0.875 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.739 0.295 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.850 -2.342 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.388 -2.091 1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.402 -2.614 4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.373 -1.460 4.999 1.00 0.00 H new ATOM 1164 N GLY A 93 9.844 1.964 0.125 1.00 0.00 N ATOM 1165 CA GLY A 93 9.529 3.329 -0.310 1.00 0.00 C ATOM 1166 C GLY A 93 8.546 4.061 0.610 1.00 0.00 C ATOM 1167 O GLY A 93 8.616 5.285 0.722 1.00 0.00 O ATOM 0 H GLY A 93 9.396 1.250 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.453 3.904 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.112 3.292 -1.316 1.00 0.00 H new ATOM 1171 N LEU A 94 7.673 3.339 1.327 1.00 0.00 N ATOM 1172 CA LEU A 94 6.755 3.928 2.315 1.00 0.00 C ATOM 1173 C LEU A 94 7.502 4.642 3.450 1.00 0.00 C ATOM 1174 O LEU A 94 6.996 5.621 3.988 1.00 0.00 O ATOM 1175 CB LEU A 94 5.824 2.847 2.900 1.00 0.00 C ATOM 1176 CG LEU A 94 4.389 2.869 2.360 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.623 1.699 2.974 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.659 4.170 2.716 1.00 0.00 C ATOM 0 H LEU A 94 7.583 2.327 1.238 1.00 0.00 H new ATOM 0 HA LEU A 94 6.160 4.675 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.257 1.867 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.791 2.964 3.983 1.00 0.00 H new ATOM 0 HG LEU A 94 4.435 2.794 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.599 1.699 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.109 0.762 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.614 1.800 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.647 4.141 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.615 4.278 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.195 5.017 2.288 1.00 0.00 H new ATOM 1190 N GLN A 95 8.718 4.204 3.795 1.00 0.00 N ATOM 1191 CA GLN A 95 9.516 4.818 4.861 1.00 0.00 C ATOM 1192 C GLN A 95 9.889 6.270 4.526 1.00 0.00 C ATOM 1193 O GLN A 95 9.954 7.120 5.415 1.00 0.00 O ATOM 1194 CB GLN A 95 10.775 3.973 5.134 1.00 0.00 C ATOM 1195 CG GLN A 95 11.169 4.041 6.618 1.00 0.00 C ATOM 1196 CD GLN A 95 12.270 3.050 6.991 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.121 2.214 7.874 1.00 0.00 O ATOM 1198 NE2 GLN A 95 13.423 3.098 6.356 1.00 0.00 N ATOM 0 H GLN A 95 9.176 3.413 3.342 1.00 0.00 H new ATOM 0 HA GLN A 95 8.908 4.844 5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.591 2.937 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.599 4.332 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.503 5.052 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.289 3.845 7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.570 3.786 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.169 2.447 6.603 1.00 0.00 H new ATOM 1207 N LYS A 96 10.078 6.572 3.234 1.00 0.00 N ATOM 1208 CA LYS A 96 10.427 7.899 2.706 1.00 0.00 C ATOM 1209 C LYS A 96 9.334 8.947 2.957 1.00 0.00 C ATOM 1210 O LYS A 96 9.655 10.108 3.205 1.00 0.00 O ATOM 1211 CB LYS A 96 10.769 7.754 1.213 1.00 0.00 C ATOM 1212 CG LYS A 96 11.561 8.957 0.682 1.00 0.00 C ATOM 1213 CD LYS A 96 12.100 8.670 -0.728 1.00 0.00 C ATOM 1214 CE LYS A 96 12.930 9.841 -1.274 1.00 0.00 C ATOM 1215 NZ LYS A 96 14.268 9.936 -0.628 1.00 0.00 N ATOM 0 H LYS A 96 9.988 5.871 2.499 1.00 0.00 H new ATOM 0 HA LYS A 96 11.298 8.275 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.349 6.843 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.848 7.645 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.921 9.839 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.389 9.180 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.714 7.770 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.266 8.471 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.056 9.723 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.386 10.773 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.791 10.741 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.150 10.075 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.799 9.058 -0.799 1.00 0.00 H new ATOM 1229 N LEU A 97 8.061 8.537 2.957 1.00 0.00 N ATOM 1230 CA LEU A 97 6.913 9.385 3.280 1.00 0.00 C ATOM 1231 C LEU A 97 7.025 9.901 4.723 1.00 0.00 C ATOM 1232 O LEU A 97 6.932 11.106 4.960 1.00 0.00 O ATOM 1233 CB LEU A 97 5.629 8.569 3.031 1.00 0.00 C ATOM 1234 CG LEU A 97 4.347 9.134 3.647 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.007 10.560 3.209 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.193 8.181 3.336 1.00 0.00 C ATOM 0 H LEU A 97 7.796 7.580 2.726 1.00 0.00 H new ATOM 0 HA LEU A 97 6.885 10.269 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.482 8.478 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.781 7.561 3.418 1.00 0.00 H new ATOM 0 HG LEU A 97 4.515 9.207 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.084 10.879 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.817 11.231 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.877 10.587 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.272 8.571 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.076 8.091 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.407 7.200 3.761 1.00 0.00 H new ATOM 1248 N ILE A 98 7.261 8.998 5.684 1.00 0.00 N ATOM 1249 CA ILE A 98 7.441 9.385 7.090 1.00 0.00 C ATOM 1250 C ILE A 98 8.749 10.143 7.292 1.00 0.00 C ATOM 1251 O ILE A 98 8.742 11.159 7.972 1.00 0.00 O ATOM 1252 CB ILE A 98 7.353 8.192 8.062 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.055 7.393 7.826 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.411 8.707 9.505 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.341 6.094 7.080 1.00 0.00 C ATOM 0 H ILE A 98 7.332 7.995 5.514 1.00 0.00 H new ATOM 0 HA ILE A 98 6.609 10.048 7.328 1.00 0.00 H new ATOM 0 HB ILE A 98 8.196 7.524 7.884 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.582 7.171 8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.351 7.997 7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.349 7.865 10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.349 9.238 9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.576 9.384 9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.409 5.550 6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.792 6.321 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.027 5.481 7.666 1.00 0.00 H new ATOM 1267 N ASN A 99 9.852 9.705 6.679 1.00 0.00 N ATOM 1268 CA ASN A 99 11.163 10.351 6.800 1.00 0.00 C ATOM 1269 C ASN A 99 11.151 11.844 6.403 1.00 0.00 C ATOM 1270 O ASN A 99 11.952 12.622 6.919 1.00 0.00 O ATOM 1271 CB ASN A 99 12.176 9.556 5.961 1.00 0.00 C ATOM 1272 CG ASN A 99 13.607 9.998 6.226 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.168 9.756 7.285 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.251 10.638 5.276 1.00 0.00 N ATOM 0 H ASN A 99 9.860 8.882 6.077 1.00 0.00 H new ATOM 0 HA ASN A 99 11.451 10.341 7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.077 8.494 6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.948 9.682 4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.217 10.932 5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.785 10.841 4.392 1.00 0.00 H new ATOM 1281 N ASP A 100 10.237 12.258 5.519 1.00 0.00 N ATOM 1282 CA ASP A 100 10.053 13.666 5.140 1.00 0.00 C ATOM 1283 C ASP A 100 9.409 14.504 6.266 1.00 0.00 C ATOM 1284 O ASP A 100 9.937 15.554 6.641 1.00 0.00 O ATOM 1285 CB ASP A 100 9.223 13.751 3.851 1.00 0.00 C ATOM 1286 CG ASP A 100 9.327 15.150 3.219 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.430 15.513 2.741 1.00 0.00 O ATOM 1288 OD2 ASP A 100 8.313 15.885 3.177 1.00 0.00 O ATOM 0 H ASP A 100 9.598 11.622 5.042 1.00 0.00 H new ATOM 0 HA ASP A 100 11.040 14.093 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.570 13.001 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.180 13.524 4.070 1.00 0.00 H new ATOM 1293 N SER A 101 8.296 14.023 6.832 1.00 0.00 N ATOM 1294 CA SER A 101 7.484 14.696 7.868 1.00 0.00 C ATOM 1295 C SER A 101 7.690 14.092 9.271 1.00 0.00 C ATOM 1296 O SER A 101 6.814 14.165 10.131 1.00 0.00 O ATOM 1297 CB SER A 101 5.992 14.717 7.474 1.00 0.00 C ATOM 1298 OG SER A 101 5.815 15.045 6.101 1.00 0.00 O ATOM 0 H SER A 101 7.915 13.113 6.573 1.00 0.00 H new ATOM 0 HA SER A 101 7.835 15.726 7.925 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.549 13.742 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.462 15.442 8.092 1.00 0.00 H new ATOM 0 HG SER A 101 4.859 15.047 5.886 1.00 0.00 H new ATOM 1304 N VAL A 102 8.843 13.473 9.535 1.00 0.00 N ATOM 1305 CA VAL A 102 9.139 12.726 10.774 1.00 0.00 C ATOM 1306 C VAL A 102 9.071 13.600 12.028 1.00 0.00 C ATOM 1307 O VAL A 102 8.511 13.192 13.044 1.00 0.00 O ATOM 1308 CB VAL A 102 10.500 12.007 10.663 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.669 12.958 10.374 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.804 11.200 11.927 1.00 0.00 C ATOM 0 H VAL A 102 9.623 13.474 8.878 1.00 0.00 H new ATOM 0 HA VAL A 102 8.357 11.975 10.886 1.00 0.00 H new ATOM 0 HB VAL A 102 10.405 11.336 9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.595 12.387 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.493 13.474 9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.750 13.690 11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.769 10.705 11.819 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.833 11.869 12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.026 10.451 12.076 1.00 0.00 H new ATOM 1320 N PHE A 103 9.592 14.827 11.946 1.00 0.00 N ATOM 1321 CA PHE A 103 9.538 15.834 13.013 1.00 0.00 C ATOM 1322 C PHE A 103 8.158 16.510 13.122 1.00 0.00 C ATOM 1323 O PHE A 103 7.912 17.279 14.055 1.00 0.00 O ATOM 1324 CB PHE A 103 10.635 16.881 12.760 1.00 0.00 C ATOM 1325 CG PHE A 103 12.026 16.313 12.513 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.551 15.307 13.349 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.790 16.777 11.424 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.818 14.755 13.085 1.00 0.00 C ATOM 1329 CE2 PHE A 103 14.062 16.233 11.167 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.573 15.218 11.993 1.00 0.00 C ATOM 0 H PHE A 103 10.077 15.158 11.112 1.00 0.00 H new ATOM 0 HA PHE A 103 9.707 15.331 13.965 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.348 17.484 11.899 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.680 17.551 13.618 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.978 14.958 14.196 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.398 17.553 10.784 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.211 13.976 13.721 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.646 16.596 10.334 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.545 14.794 11.789 1.00 0.00 H new ATOM 1340 N PHE A 104 7.258 16.222 12.177 1.00 0.00 N ATOM 1341 CA PHE A 104 5.878 16.725 12.151 1.00 0.00 C ATOM 1342 C PHE A 104 4.905 15.715 12.779 1.00 0.00 C ATOM 1343 O PHE A 104 4.067 16.090 13.605 1.00 0.00 O ATOM 1344 CB PHE A 104 5.495 17.099 10.708 1.00 0.00 C ATOM 1345 CG PHE A 104 4.007 17.139 10.450 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.273 18.298 10.756 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.349 15.990 9.969 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.876 18.293 10.620 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.952 15.984 9.836 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.222 17.129 10.183 1.00 0.00 C ATOM 0 H PHE A 104 7.474 15.615 11.386 1.00 0.00 H new ATOM 0 HA PHE A 104 5.810 17.626 12.760 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.919 18.075 10.474 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.951 16.381 10.026 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.782 19.189 11.094 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.920 15.113 9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.306 19.181 10.850 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.444 15.104 9.469 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.144 17.116 10.114 1.00 0.00 H new ATOM 1360 N LEU A 105 5.023 14.434 12.418 1.00 0.00 N ATOM 1361 CA LEU A 105 4.241 13.341 12.992 1.00 0.00 C ATOM 1362 C LEU A 105 4.551 13.161 14.486 1.00 0.00 C ATOM 1363 O LEU A 105 5.715 13.110 14.893 1.00 0.00 O ATOM 1364 CB LEU A 105 4.507 12.046 12.202 1.00 0.00 C ATOM 1365 CG LEU A 105 4.018 12.101 10.741 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.450 10.844 9.991 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.502 12.273 10.647 1.00 0.00 C ATOM 0 H LEU A 105 5.680 14.124 11.702 1.00 0.00 H new ATOM 0 HA LEU A 105 3.182 13.586 12.914 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.577 11.839 12.210 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.017 11.214 12.709 1.00 0.00 H new ATOM 0 HG LEU A 105 4.476 12.975 10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.098 10.896 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.538 10.771 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.023 9.966 10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.204 12.307 9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.009 11.434 11.138 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.210 13.202 11.137 1.00 0.00 H new ATOM 1379 N ALA A 106 3.501 13.067 15.306 1.00 0.00 N ATOM 1380 CA ALA A 106 3.623 12.788 16.738 1.00 0.00 C ATOM 1381 C ALA A 106 4.307 11.428 16.969 1.00 0.00 C ATOM 1382 O ALA A 106 4.216 10.537 16.123 1.00 0.00 O ATOM 1383 CB ALA A 106 2.217 12.811 17.356 1.00 0.00 C ATOM 0 H ALA A 106 2.537 13.183 14.993 1.00 0.00 H new ATOM 0 HA ALA A 106 4.244 13.547 17.215 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.286 12.605 18.424 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.769 13.793 17.204 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.597 12.051 16.879 1.00 0.00 H new ATOM 1389 N ALA A 107 4.921 11.217 18.139 1.00 0.00 N ATOM 1390 CA ALA A 107 5.571 9.943 18.483 1.00 0.00 C ATOM 1391 C ALA A 107 4.608 8.736 18.377 1.00 0.00 C ATOM 1392 O ALA A 107 5.017 7.632 18.011 1.00 0.00 O ATOM 1393 CB ALA A 107 6.189 10.070 19.880 1.00 0.00 C ATOM 0 H ALA A 107 4.982 11.922 18.874 1.00 0.00 H new ATOM 0 HA ALA A 107 6.359 9.741 17.757 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.675 9.132 20.149 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.925 10.874 19.880 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.407 10.294 20.605 1.00 0.00 H new ATOM 1399 N TYR A 108 3.318 8.971 18.642 1.00 0.00 N ATOM 1400 CA TYR A 108 2.220 8.012 18.506 1.00 0.00 C ATOM 1401 C TYR A 108 1.999 7.612 17.036 1.00 0.00 C ATOM 1402 O TYR A 108 2.012 6.430 16.696 1.00 0.00 O ATOM 1403 CB TYR A 108 0.960 8.635 19.130 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.327 7.873 18.873 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.587 6.668 19.552 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.265 8.377 17.949 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.786 5.967 19.314 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.464 7.680 17.709 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.731 6.474 18.393 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.901 5.815 18.167 1.00 0.00 O ATOM 0 H TYR A 108 2.997 9.881 18.973 1.00 0.00 H new ATOM 0 HA TYR A 108 2.466 7.089 19.032 1.00 0.00 H new ATOM 0 HB2 TYR A 108 1.108 8.716 20.207 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.847 9.649 18.747 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.134 6.280 20.257 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.063 9.299 17.425 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.983 5.042 19.835 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.181 8.068 17.001 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.431 6.307 17.505 1.00 0.00 H new ATOM 1420 N ASP A 109 1.828 8.598 16.153 1.00 0.00 N ATOM 1421 CA ASP A 109 1.563 8.398 14.722 1.00 0.00 C ATOM 1422 C ASP A 109 2.786 7.857 13.963 1.00 0.00 C ATOM 1423 O ASP A 109 2.664 7.013 13.074 1.00 0.00 O ATOM 1424 CB ASP A 109 1.101 9.723 14.098 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.171 9.547 13.247 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.230 8.612 12.418 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.120 10.347 13.424 1.00 0.00 O ATOM 0 H ASP A 109 1.870 9.582 16.417 1.00 0.00 H new ATOM 0 HA ASP A 109 0.779 7.646 14.636 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.911 10.449 14.888 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.899 10.129 13.477 1.00 0.00 H new ATOM 1432 N LEU A 110 3.984 8.311 14.345 1.00 0.00 N ATOM 1433 CA LEU A 110 5.257 7.833 13.813 1.00 0.00 C ATOM 1434 C LEU A 110 5.358 6.315 14.004 1.00 0.00 C ATOM 1435 O LEU A 110 5.559 5.579 13.037 1.00 0.00 O ATOM 1436 CB LEU A 110 6.399 8.611 14.498 1.00 0.00 C ATOM 1437 CG LEU A 110 7.826 8.158 14.131 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.059 8.148 12.629 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.841 9.131 14.721 1.00 0.00 C ATOM 0 H LEU A 110 4.094 9.039 15.051 1.00 0.00 H new ATOM 0 HA LEU A 110 5.332 8.015 12.741 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.296 9.667 14.248 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.276 8.526 15.578 1.00 0.00 H new ATOM 0 HG LEU A 110 7.942 7.149 14.527 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.078 7.822 12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.355 7.463 12.156 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.911 9.152 12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.849 8.808 14.460 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.664 10.129 14.320 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.736 9.152 15.806 1.00 0.00 H new ATOM 1451 N ARG A 111 5.136 5.833 15.235 1.00 0.00 N ATOM 1452 CA ARG A 111 5.101 4.398 15.554 1.00 0.00 C ATOM 1453 C ARG A 111 3.978 3.623 14.860 1.00 0.00 C ATOM 1454 O ARG A 111 4.178 2.458 14.533 1.00 0.00 O ATOM 1455 CB ARG A 111 5.066 4.205 17.084 1.00 0.00 C ATOM 1456 CG ARG A 111 6.442 4.392 17.751 1.00 0.00 C ATOM 1457 CD ARG A 111 7.336 3.162 17.531 1.00 0.00 C ATOM 1458 NE ARG A 111 8.619 3.269 18.257 1.00 0.00 N ATOM 1459 CZ ARG A 111 9.464 2.285 18.517 1.00 0.00 C ATOM 1460 NH1 ARG A 111 9.240 1.059 18.134 1.00 0.00 N ATOM 1461 NH2 ARG A 111 10.565 2.510 19.175 1.00 0.00 N ATOM 0 H ARG A 111 4.974 6.433 16.044 1.00 0.00 H new ATOM 0 HA ARG A 111 6.018 3.967 15.152 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.360 4.914 17.517 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.693 3.206 17.309 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.930 5.277 17.343 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.311 4.564 18.819 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.808 2.267 17.860 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.532 3.043 16.465 1.00 0.00 H new ATOM 0 HE ARG A 111 8.880 4.197 18.592 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.391 0.834 17.616 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.914 0.325 18.352 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.784 3.453 19.496 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.209 1.743 19.369 1.00 0.00 H new ATOM 1475 N GLN A 112 2.851 4.267 14.572 1.00 0.00 N ATOM 1476 CA GLN A 112 1.703 3.689 13.843 1.00 0.00 C ATOM 1477 C GLN A 112 1.982 3.461 12.343 1.00 0.00 C ATOM 1478 O GLN A 112 1.546 2.451 11.787 1.00 0.00 O ATOM 1479 CB GLN A 112 0.454 4.574 14.010 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.238 4.438 15.378 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.310 3.347 15.390 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -2.369 3.470 14.787 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.103 2.247 16.080 1.00 0.00 N ATOM 0 H GLN A 112 2.696 5.238 14.844 1.00 0.00 H new ATOM 0 HA GLN A 112 1.527 2.709 14.287 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.738 5.616 13.861 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.262 4.324 13.227 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.510 4.215 16.139 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.692 5.391 15.647 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.229 2.122 16.590 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.817 1.519 16.105 1.00 0.00 H new ATOM 1492 N GLY A 113 2.717 4.360 11.677 1.00 0.00 N ATOM 1493 CA GLY A 113 3.130 4.189 10.277 1.00 0.00 C ATOM 1494 C GLY A 113 4.343 3.268 10.130 1.00 0.00 C ATOM 1495 O GLY A 113 4.338 2.341 9.323 1.00 0.00 O ATOM 0 H GLY A 113 3.044 5.231 12.095 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.297 3.782 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.365 5.164 9.850 1.00 0.00 H new ATOM 1499 N GLN A 114 5.381 3.490 10.937 1.00 0.00 N ATOM 1500 CA GLN A 114 6.624 2.710 10.905 1.00 0.00 C ATOM 1501 C GLN A 114 6.393 1.208 11.157 1.00 0.00 C ATOM 1502 O GLN A 114 6.957 0.377 10.445 1.00 0.00 O ATOM 1503 CB GLN A 114 7.603 3.286 11.936 1.00 0.00 C ATOM 1504 CG GLN A 114 8.152 4.668 11.545 1.00 0.00 C ATOM 1505 CD GLN A 114 9.312 4.577 10.565 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.159 4.709 9.360 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.513 4.350 11.053 1.00 0.00 N ATOM 0 H GLN A 114 5.384 4.227 11.642 1.00 0.00 H new ATOM 0 HA GLN A 114 7.043 2.790 9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.102 3.361 12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.436 2.594 12.063 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.352 5.261 11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.479 5.193 12.443 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.642 4.240 12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.314 4.285 10.425 1.00 0.00 H new ATOM 1516 N GLU A 115 5.549 0.835 12.129 1.00 0.00 N ATOM 1517 CA GLU A 115 5.226 -0.577 12.396 1.00 0.00 C ATOM 1518 C GLU A 115 4.469 -1.267 11.254 1.00 0.00 C ATOM 1519 O GLU A 115 4.621 -2.468 11.021 1.00 0.00 O ATOM 1520 CB GLU A 115 4.467 -0.714 13.723 1.00 0.00 C ATOM 1521 CG GLU A 115 2.992 -0.287 13.663 1.00 0.00 C ATOM 1522 CD GLU A 115 2.296 -0.256 15.042 1.00 0.00 C ATOM 1523 OE1 GLU A 115 2.869 -0.714 16.062 1.00 0.00 O ATOM 1524 OE2 GLU A 115 1.128 0.198 15.109 1.00 0.00 O ATOM 0 H GLU A 115 5.075 1.494 12.747 1.00 0.00 H new ATOM 0 HA GLU A 115 6.180 -1.098 12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.518 -1.753 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.974 -0.116 14.480 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.928 0.703 13.212 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.452 -0.971 13.009 1.00 0.00 H new ATOM 1531 N ALA A 116 3.676 -0.494 10.515 1.00 0.00 N ATOM 1532 CA ALA A 116 2.918 -0.974 9.366 1.00 0.00 C ATOM 1533 C ALA A 116 3.835 -1.487 8.248 1.00 0.00 C ATOM 1534 O ALA A 116 3.547 -2.549 7.704 1.00 0.00 O ATOM 1535 CB ALA A 116 1.937 0.089 8.872 1.00 0.00 C ATOM 0 H ALA A 116 3.541 0.500 10.702 1.00 0.00 H new ATOM 0 HA ALA A 116 2.328 -1.830 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.385 -0.296 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.239 0.339 9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.487 0.983 8.578 1.00 0.00 H new ATOM 1541 N LEU A 117 4.950 -0.809 7.931 1.00 0.00 N ATOM 1542 CA LEU A 117 5.922 -1.313 6.939 1.00 0.00 C ATOM 1543 C LEU A 117 6.344 -2.757 7.254 1.00 0.00 C ATOM 1544 O LEU A 117 6.358 -3.622 6.376 1.00 0.00 O ATOM 1545 CB LEU A 117 7.194 -0.450 6.908 1.00 0.00 C ATOM 1546 CG LEU A 117 7.145 0.750 5.960 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.298 1.897 6.502 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.563 1.254 5.748 1.00 0.00 C ATOM 0 H LEU A 117 5.203 0.088 8.345 1.00 0.00 H new ATOM 0 HA LEU A 117 5.421 -1.271 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.393 -0.088 7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.036 -1.082 6.625 1.00 0.00 H new ATOM 0 HG LEU A 117 6.688 0.416 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.300 2.720 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.275 1.553 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.713 2.239 7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.548 2.110 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.990 1.553 6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.170 0.460 5.312 1.00 0.00 H new ATOM 1560 N ALA A 118 6.657 -3.014 8.528 1.00 0.00 N ATOM 1561 CA ALA A 118 7.049 -4.332 9.020 1.00 0.00 C ATOM 1562 C ALA A 118 5.931 -5.368 8.835 1.00 0.00 C ATOM 1563 O ALA A 118 6.202 -6.519 8.499 1.00 0.00 O ATOM 1564 CB ALA A 118 7.428 -4.227 10.500 1.00 0.00 C ATOM 0 H ALA A 118 6.644 -2.299 9.255 1.00 0.00 H new ATOM 0 HA ALA A 118 7.906 -4.671 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.721 -5.209 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.260 -3.533 10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.572 -3.865 11.070 1.00 0.00 H new ATOM 1570 N ARG A 119 4.668 -4.959 9.019 1.00 0.00 N ATOM 1571 CA ARG A 119 3.478 -5.804 8.851 1.00 0.00 C ATOM 1572 C ARG A 119 3.346 -6.337 7.416 1.00 0.00 C ATOM 1573 O ARG A 119 3.107 -7.528 7.220 1.00 0.00 O ATOM 1574 CB ARG A 119 2.234 -5.011 9.298 1.00 0.00 C ATOM 1575 CG ARG A 119 1.051 -5.908 9.684 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.085 -5.050 10.257 1.00 0.00 C ATOM 1577 NE ARG A 119 -1.235 -5.875 10.682 1.00 0.00 N ATOM 1578 CZ ARG A 119 -2.234 -5.507 11.465 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.311 -4.311 11.980 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -3.191 -6.343 11.752 1.00 0.00 N ATOM 0 H ARG A 119 4.440 -4.004 9.297 1.00 0.00 H new ATOM 0 HA ARG A 119 3.577 -6.688 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.498 -4.383 10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.928 -4.344 8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.699 -6.458 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.368 -6.647 10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.285 -4.477 11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.412 -4.331 9.506 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.261 -6.833 10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.584 -3.623 11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.098 -4.064 12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.173 -7.289 11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.959 -6.051 12.357 1.00 0.00 H new ATOM 1594 N LEU A 120 3.557 -5.474 6.415 1.00 0.00 N ATOM 1595 CA LEU A 120 3.571 -5.840 4.988 1.00 0.00 C ATOM 1596 C LEU A 120 4.800 -6.716 4.648 1.00 0.00 C ATOM 1597 O LEU A 120 4.687 -7.686 3.900 1.00 0.00 O ATOM 1598 CB LEU A 120 3.551 -4.572 4.104 1.00 0.00 C ATOM 1599 CG LEU A 120 2.588 -3.453 4.542 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.752 -2.224 3.653 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.116 -3.869 4.568 1.00 0.00 C ATOM 0 H LEU A 120 3.727 -4.481 6.574 1.00 0.00 H new ATOM 0 HA LEU A 120 2.674 -6.424 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.560 -4.162 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.293 -4.867 3.087 1.00 0.00 H new ATOM 0 HG LEU A 120 2.865 -3.220 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.063 -1.445 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.776 -1.857 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.535 -2.491 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.505 -3.025 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.809 -4.183 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.984 -4.696 5.266 1.00 0.00 H new ATOM 1613 N GLN A 121 5.970 -6.405 5.222 1.00 0.00 N ATOM 1614 CA GLN A 121 7.219 -7.153 5.045 1.00 0.00 C ATOM 1615 C GLN A 121 7.167 -8.571 5.646 1.00 0.00 C ATOM 1616 O GLN A 121 7.683 -9.518 5.052 1.00 0.00 O ATOM 1617 CB GLN A 121 8.360 -6.311 5.644 1.00 0.00 C ATOM 1618 CG GLN A 121 9.728 -6.995 5.530 1.00 0.00 C ATOM 1619 CD GLN A 121 10.858 -6.054 5.113 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.427 -6.164 4.036 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.242 -5.105 5.938 1.00 0.00 N ATOM 0 H GLN A 121 6.075 -5.601 5.841 1.00 0.00 H new ATOM 0 HA GLN A 121 7.390 -7.315 3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.398 -5.347 5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.145 -6.111 6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.979 -7.445 6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.658 -7.807 4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.780 -4.997 6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.002 -4.477 5.675 1.00 0.00 H new ATOM 1630 N ALA A 122 6.517 -8.751 6.796 1.00 0.00 N ATOM 1631 CA ALA A 122 6.314 -10.056 7.423 1.00 0.00 C ATOM 1632 C ALA A 122 5.517 -11.018 6.520 1.00 0.00 C ATOM 1633 O ALA A 122 5.938 -12.160 6.314 1.00 0.00 O ATOM 1634 CB ALA A 122 5.637 -9.840 8.780 1.00 0.00 C ATOM 0 H ALA A 122 6.110 -7.981 7.326 1.00 0.00 H new ATOM 0 HA ALA A 122 7.280 -10.538 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.477 -10.803 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.274 -9.219 9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.678 -9.344 8.633 1.00 0.00 H new ATOM 1640 N ALA A 123 4.422 -10.545 5.908 1.00 0.00 N ATOM 1641 CA ALA A 123 3.638 -11.324 4.950 1.00 0.00 C ATOM 1642 C ALA A 123 4.481 -11.781 3.737 1.00 0.00 C ATOM 1643 O ALA A 123 4.256 -12.865 3.195 1.00 0.00 O ATOM 1644 CB ALA A 123 2.412 -10.496 4.555 1.00 0.00 C ATOM 0 H ALA A 123 4.057 -9.606 6.067 1.00 0.00 H new ATOM 0 HA ALA A 123 3.303 -12.252 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.810 -11.056 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.816 -10.282 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.736 -9.559 4.101 1.00 0.00 H new ATOM 1650 N LEU A 124 5.483 -10.988 3.337 1.00 0.00 N ATOM 1651 CA LEU A 124 6.429 -11.340 2.277 1.00 0.00 C ATOM 1652 C LEU A 124 7.422 -12.412 2.724 1.00 0.00 C ATOM 1653 O LEU A 124 7.581 -13.412 2.029 1.00 0.00 O ATOM 1654 CB LEU A 124 7.205 -10.098 1.810 1.00 0.00 C ATOM 1655 CG LEU A 124 6.549 -9.352 0.651 1.00 0.00 C ATOM 1656 CD1 LEU A 124 7.452 -8.181 0.290 1.00 0.00 C ATOM 1657 CD2 LEU A 124 6.405 -10.261 -0.567 1.00 0.00 C ATOM 0 H LEU A 124 5.660 -10.071 3.748 1.00 0.00 H new ATOM 0 HA LEU A 124 5.841 -11.742 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.316 -9.414 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.209 -10.401 1.511 1.00 0.00 H new ATOM 0 HG LEU A 124 5.555 -9.015 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.012 -7.624 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.559 -7.524 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.432 -8.555 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.935 -9.708 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.390 -10.604 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.787 -11.121 -0.308 1.00 0.00 H new ATOM 1669 N ALA A 125 8.088 -12.225 3.867 1.00 0.00 N ATOM 1670 CA ALA A 125 9.034 -13.201 4.412 1.00 0.00 C ATOM 1671 C ALA A 125 8.389 -14.591 4.620 1.00 0.00 C ATOM 1672 O ALA A 125 9.038 -15.622 4.439 1.00 0.00 O ATOM 1673 CB ALA A 125 9.645 -12.633 5.696 1.00 0.00 C ATOM 0 H ALA A 125 7.985 -11.389 4.442 1.00 0.00 H new ATOM 0 HA ALA A 125 9.833 -13.368 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.352 -13.351 6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.165 -11.702 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.854 -12.441 6.421 1.00 0.00 H new ATOM 1679 N GLU A 126 7.096 -14.626 4.949 1.00 0.00 N ATOM 1680 CA GLU A 126 6.304 -15.855 5.086 1.00 0.00 C ATOM 1681 C GLU A 126 6.072 -16.542 3.723 1.00 0.00 C ATOM 1682 O GLU A 126 6.173 -17.766 3.628 1.00 0.00 O ATOM 1683 CB GLU A 126 4.964 -15.518 5.759 1.00 0.00 C ATOM 1684 CG GLU A 126 5.132 -15.332 7.274 1.00 0.00 C ATOM 1685 CD GLU A 126 3.878 -14.705 7.919 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.767 -15.275 7.777 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.994 -13.661 8.605 1.00 0.00 O ATOM 0 H GLU A 126 6.555 -13.781 5.133 1.00 0.00 H new ATOM 0 HA GLU A 126 6.860 -16.559 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.554 -14.608 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.247 -16.316 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.335 -16.297 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.996 -14.697 7.468 1.00 0.00 H new ATOM 1694 N ARG A 127 5.805 -15.776 2.654 1.00 0.00 N ATOM 1695 CA ARG A 127 5.664 -16.278 1.270 1.00 0.00 C ATOM 1696 C ARG A 127 6.998 -16.669 0.626 1.00 0.00 C ATOM 1697 O ARG A 127 7.035 -17.627 -0.150 1.00 0.00 O ATOM 1698 CB ARG A 127 4.935 -15.227 0.411 1.00 0.00 C ATOM 1699 CG ARG A 127 3.417 -15.220 0.657 1.00 0.00 C ATOM 1700 CD ARG A 127 2.729 -16.368 -0.095 1.00 0.00 C ATOM 1701 NE ARG A 127 1.294 -16.455 0.236 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.363 -17.115 -0.431 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.623 -17.764 -1.532 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.865 -17.142 0.003 1.00 0.00 N ATOM 0 H ARG A 127 5.677 -14.766 2.725 1.00 0.00 H new ATOM 0 HA ARG A 127 5.075 -17.194 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.340 -14.239 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.129 -15.425 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.218 -15.310 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.998 -14.267 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.846 -16.222 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.218 -17.310 0.154 1.00 0.00 H new ATOM 0 HE ARG A 127 0.987 -15.952 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.572 -17.774 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.122 -18.262 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.113 -16.652 0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.578 -17.653 -0.517 1.00 0.00 H new ATOM 1718 N ARG A 128 8.102 -15.998 0.980 1.00 0.00 N ATOM 1719 CA ARG A 128 9.468 -16.308 0.509 1.00 0.00 C ATOM 1720 C ARG A 128 9.856 -17.769 0.736 1.00 0.00 C ATOM 1721 O ARG A 128 10.521 -18.330 -0.124 1.00 0.00 O ATOM 1722 CB ARG A 128 10.510 -15.380 1.164 1.00 0.00 C ATOM 1723 CG ARG A 128 10.616 -14.031 0.440 1.00 0.00 C ATOM 1724 CD ARG A 128 11.587 -13.053 1.107 1.00 0.00 C ATOM 1725 NE ARG A 128 12.981 -13.539 1.079 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.057 -12.861 1.430 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.983 -11.661 1.932 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.242 -13.371 1.267 1.00 0.00 N ATOM 0 H ARG A 128 8.074 -15.203 1.618 1.00 0.00 H new ATOM 0 HA ARG A 128 9.461 -16.134 -0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.240 -15.211 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.484 -15.870 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.936 -14.204 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 128 9.627 -13.574 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.531 -12.088 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.282 -12.890 2.141 1.00 0.00 H new ATOM 0 HE ARG A 128 13.127 -14.495 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.073 -11.219 2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.835 -11.164 2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.345 -14.303 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.068 -12.839 1.541 1.00 0.00 H new