USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 59 TYR OH : rot 147:sc= 0.69 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.0337 K(o=0.66,f=0.037) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 62 THR OG1 : rot 58:sc= 0.0142 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.531 K(o=-0.53,f=-1.1) USER MOD Single : A 69 THR OG1 : rot -170:sc= -2.89! USER MOD Single : A 70 CYS SG : rot 3:sc= 0.787 USER MOD Single : A 74 SER OG : rot 154:sc= -2.82! USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.647 -0.103 -14.305 1.00 0.00 N ATOM 592 CA THR A 58 -15.301 -0.080 -12.893 1.00 0.00 C ATOM 593 C THR A 58 -13.902 -0.662 -12.679 1.00 0.00 C ATOM 594 O THR A 58 -13.748 -1.871 -12.513 1.00 0.00 O ATOM 595 CB THR A 58 -16.394 -0.825 -12.126 1.00 0.00 C ATOM 596 OG1 THR A 58 -16.042 -0.644 -10.757 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.326 -2.340 -12.332 1.00 0.00 C ATOM 0 HA THR A 58 -15.256 0.940 -12.512 1.00 0.00 H new ATOM 0 HB THR A 58 -17.372 -0.460 -12.441 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.700 -1.095 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.124 -2.820 -11.766 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.444 -2.569 -13.391 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.361 -2.711 -11.986 1.00 0.00 H new ATOM 605 N TYR A 59 -12.919 0.225 -12.688 1.00 0.00 N ATOM 606 CA TYR A 59 -11.538 -0.187 -12.496 1.00 0.00 C ATOM 607 C TYR A 59 -11.065 0.129 -11.076 1.00 0.00 C ATOM 608 O TYR A 59 -11.725 0.868 -10.347 1.00 0.00 O ATOM 609 CB TYR A 59 -10.712 0.634 -13.490 1.00 0.00 C ATOM 610 CG TYR A 59 -10.897 2.146 -13.354 1.00 0.00 C ATOM 611 CD1 TYR A 59 -11.941 2.775 -14.003 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.021 2.883 -12.582 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.115 4.198 -13.876 1.00 0.00 C ATOM 614 CE2 TYR A 59 -10.196 4.307 -12.455 1.00 0.00 C ATOM 615 CZ TYR A 59 -11.234 4.893 -13.108 1.00 0.00 C ATOM 616 OH TYR A 59 -11.398 6.238 -12.988 1.00 0.00 O ATOM 0 H TYR A 59 -13.050 1.227 -12.825 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.432 -1.261 -12.650 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.657 0.394 -13.356 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.980 0.335 -14.503 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.627 2.199 -14.606 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.205 2.392 -12.073 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.927 4.702 -14.379 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.518 4.896 -11.855 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.110 6.524 -12.096 1.00 0.00 H new ATOM 625 N CYS A 60 -9.926 -0.449 -10.724 1.00 0.00 N ATOM 626 CA CYS A 60 -9.356 -0.239 -9.403 1.00 0.00 C ATOM 627 C CYS A 60 -9.522 1.238 -9.038 1.00 0.00 C ATOM 628 O CYS A 60 -9.245 2.117 -9.852 1.00 0.00 O ATOM 629 CB CYS A 60 -7.893 -0.683 -9.342 1.00 0.00 C ATOM 630 SG CYS A 60 -7.549 -2.303 -10.117 1.00 0.00 S ATOM 0 H CYS A 60 -9.382 -1.063 -11.330 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.884 -0.853 -8.673 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.278 0.074 -9.828 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.584 -0.723 -8.298 1.00 0.00 H new ATOM 634 N ASN A 61 -9.973 1.463 -7.813 1.00 0.00 N ATOM 635 CA ASN A 61 -10.178 2.819 -7.330 1.00 0.00 C ATOM 636 C ASN A 61 -8.955 3.259 -6.525 1.00 0.00 C ATOM 637 O ASN A 61 -8.060 2.457 -6.260 1.00 0.00 O ATOM 638 CB ASN A 61 -11.400 2.897 -6.414 1.00 0.00 C ATOM 639 CG ASN A 61 -11.880 4.343 -6.260 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.296 4.990 -7.207 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.796 4.810 -5.019 1.00 0.00 N ATOM 0 H ASN A 61 -10.202 0.731 -7.141 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.332 3.466 -8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.204 2.285 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.152 2.486 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.090 5.765 -4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.438 4.214 -4.273 1.00 0.00 H new ATOM 647 N THR A 62 -8.955 4.532 -6.156 1.00 0.00 N ATOM 648 CA THR A 62 -7.857 5.089 -5.385 1.00 0.00 C ATOM 649 C THR A 62 -8.095 4.881 -3.888 1.00 0.00 C ATOM 650 O THR A 62 -9.175 5.183 -3.381 1.00 0.00 O ATOM 651 CB THR A 62 -7.701 6.559 -5.778 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.735 7.063 -4.860 1.00 0.00 O ATOM 653 CG2 THR A 62 -8.958 7.380 -5.484 1.00 0.00 C ATOM 0 H THR A 62 -9.699 5.194 -6.377 1.00 0.00 H new ATOM 0 HA THR A 62 -6.920 4.578 -5.606 1.00 0.00 H new ATOM 0 HB THR A 62 -7.463 6.628 -6.839 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.908 6.544 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.794 8.416 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.799 6.971 -6.043 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.178 7.339 -4.417 1.00 0.00 H new ATOM 661 N THR A 63 -7.071 4.367 -3.223 1.00 0.00 N ATOM 662 CA THR A 63 -7.156 4.116 -1.795 1.00 0.00 C ATOM 663 C THR A 63 -5.766 3.842 -1.218 1.00 0.00 C ATOM 664 O THR A 63 -4.783 3.787 -1.956 1.00 0.00 O ATOM 665 CB THR A 63 -8.142 2.966 -1.575 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.717 3.241 -0.300 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.440 1.620 -1.385 1.00 0.00 C ATOM 0 H THR A 63 -6.178 4.117 -3.647 1.00 0.00 H new ATOM 0 HA THR A 63 -7.529 4.990 -1.261 1.00 0.00 H new ATOM 0 HB THR A 63 -8.822 2.903 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.370 2.545 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.185 0.839 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.849 1.390 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.785 1.671 -0.515 1.00 0.00 H new ATOM 675 N LEU A 64 -5.728 3.678 0.097 1.00 0.00 N ATOM 676 CA LEU A 64 -4.475 3.412 0.782 1.00 0.00 C ATOM 677 C LEU A 64 -4.546 2.038 1.451 1.00 0.00 C ATOM 678 O LEU A 64 -5.628 1.573 1.806 1.00 0.00 O ATOM 679 CB LEU A 64 -4.139 4.551 1.747 1.00 0.00 C ATOM 680 CG LEU A 64 -3.535 5.808 1.118 1.00 0.00 C ATOM 681 CD1 LEU A 64 -3.795 7.037 1.991 1.00 0.00 C ATOM 682 CD2 LEU A 64 -2.045 5.614 0.828 1.00 0.00 C ATOM 0 H LEU A 64 -6.545 3.724 0.706 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.651 3.377 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.050 4.835 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.442 4.173 2.495 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.028 5.983 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.355 7.917 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.869 7.184 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.346 6.887 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.640 6.522 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.518 5.401 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.914 4.781 0.138 1.00 0.00 H new ATOM 693 N ASP A 65 -3.380 1.429 1.605 1.00 0.00 N ATOM 694 CA ASP A 65 -3.297 0.119 2.227 1.00 0.00 C ATOM 695 C ASP A 65 -2.028 0.041 3.077 1.00 0.00 C ATOM 696 O ASP A 65 -1.534 1.061 3.557 1.00 0.00 O ATOM 697 CB ASP A 65 -3.227 -0.987 1.172 1.00 0.00 C ATOM 698 CG ASP A 65 -3.922 -2.296 1.560 1.00 0.00 C ATOM 699 OD1 ASP A 65 -5.151 -2.368 1.350 1.00 0.00 O ATOM 700 OD2 ASP A 65 -3.206 -3.192 2.057 1.00 0.00 O ATOM 0 H ASP A 65 -2.485 1.819 1.310 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.188 -0.020 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.672 -0.616 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.179 -1.199 0.958 1.00 0.00 H new ATOM 704 N GLN A 66 -1.535 -1.178 3.238 1.00 0.00 N ATOM 705 CA GLN A 66 -0.332 -1.401 4.023 1.00 0.00 C ATOM 706 C GLN A 66 0.758 -0.409 3.617 1.00 0.00 C ATOM 707 O GLN A 66 1.612 -0.052 4.428 1.00 0.00 O ATOM 708 CB GLN A 66 0.157 -2.843 3.878 1.00 0.00 C ATOM 709 CG GLN A 66 0.166 -3.559 5.231 1.00 0.00 C ATOM 710 CD GLN A 66 -1.199 -3.455 5.914 1.00 0.00 C ATOM 711 OE1 GLN A 66 -1.445 -2.588 6.737 1.00 0.00 O ATOM 712 NE2 GLN A 66 -2.068 -4.384 5.530 1.00 0.00 N ATOM 0 H GLN A 66 -1.946 -2.022 2.839 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.571 -1.237 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.487 -3.381 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.161 -2.849 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.427 -4.608 5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.932 -3.123 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.796 -5.081 4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.007 -4.400 5.929 1.00 0.00 H new ATOM 719 N ILE A 67 0.695 0.011 2.361 1.00 0.00 N ATOM 720 CA ILE A 67 1.667 0.956 1.837 1.00 0.00 C ATOM 721 C ILE A 67 0.981 2.301 1.589 1.00 0.00 C ATOM 722 O ILE A 67 0.164 2.426 0.678 1.00 0.00 O ATOM 723 CB ILE A 67 2.360 0.380 0.600 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.451 1.326 0.094 1.00 0.00 C ATOM 725 CG2 ILE A 67 1.343 0.044 -0.491 1.00 0.00 C ATOM 726 CD1 ILE A 67 4.830 0.669 0.185 1.00 0.00 C ATOM 0 H ILE A 67 -0.014 -0.286 1.691 1.00 0.00 H new ATOM 0 HA ILE A 67 2.459 1.132 2.564 1.00 0.00 H new ATOM 0 HB ILE A 67 2.847 -0.553 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.245 1.606 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.442 2.245 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.862 -0.363 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.634 -0.693 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.807 0.948 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.588 1.362 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.043 0.413 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.843 -0.236 -0.422 1.00 0.00 H new ATOM 737 N GLY A 68 1.340 3.272 2.415 1.00 0.00 N ATOM 738 CA GLY A 68 0.769 4.604 2.296 1.00 0.00 C ATOM 739 C GLY A 68 0.873 5.119 0.860 1.00 0.00 C ATOM 740 O GLY A 68 0.328 6.171 0.532 1.00 0.00 O ATOM 0 H GLY A 68 2.018 3.164 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.276 4.584 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.287 5.287 2.969 1.00 0.00 H new ATOM 744 N THR A 69 1.578 4.353 0.040 1.00 0.00 N ATOM 745 CA THR A 69 1.761 4.718 -1.354 1.00 0.00 C ATOM 746 C THR A 69 0.413 4.763 -2.076 1.00 0.00 C ATOM 747 O THR A 69 0.110 3.889 -2.888 1.00 0.00 O ATOM 748 CB THR A 69 2.751 3.732 -1.977 1.00 0.00 C ATOM 749 OG1 THR A 69 3.828 3.687 -1.044 1.00 0.00 O ATOM 750 CG2 THR A 69 3.389 4.271 -3.258 1.00 0.00 C ATOM 0 H THR A 69 2.029 3.481 0.315 1.00 0.00 H new ATOM 0 HA THR A 69 2.178 5.721 -1.447 1.00 0.00 H new ATOM 0 HB THR A 69 2.240 2.794 -2.195 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.581 3.199 -1.437 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.083 3.531 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.611 4.475 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.928 5.192 -3.036 1.00 0.00 H new ATOM 758 N CYS A 70 -0.362 5.788 -1.753 1.00 0.00 N ATOM 759 CA CYS A 70 -1.671 5.957 -2.361 1.00 0.00 C ATOM 760 C CYS A 70 -1.571 5.562 -3.835 1.00 0.00 C ATOM 761 O CYS A 70 -0.704 6.053 -4.556 1.00 0.00 O ATOM 762 CB CYS A 70 -2.195 7.384 -2.186 1.00 0.00 C ATOM 763 SG CYS A 70 -1.775 8.528 -3.552 1.00 0.00 S ATOM 0 H CYS A 70 -0.109 6.510 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.393 5.311 -1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.279 7.348 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.798 7.790 -1.256 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.136 7.880 -4.480 1.00 0.00 H new ATOM 767 N TRP A 71 -2.471 4.678 -4.241 1.00 0.00 N ATOM 768 CA TRP A 71 -2.496 4.212 -5.616 1.00 0.00 C ATOM 769 C TRP A 71 -3.620 4.949 -6.346 1.00 0.00 C ATOM 770 O TRP A 71 -4.793 4.789 -6.009 1.00 0.00 O ATOM 771 CB TRP A 71 -2.641 2.690 -5.677 1.00 0.00 C ATOM 772 CG TRP A 71 -1.631 1.934 -4.810 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.765 1.547 -3.534 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.319 1.486 -5.212 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.640 0.885 -3.085 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.266 0.846 -4.138 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.349 1.615 -6.441 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.549 0.287 -4.185 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.630 1.050 -6.473 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.234 0.404 -5.401 1.00 0.00 C ATOM 0 H TRP A 71 -3.189 4.272 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.553 4.435 -6.115 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.649 2.418 -5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.531 2.366 -6.712 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.643 1.730 -2.932 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.500 0.496 -2.152 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.091 2.111 -7.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.986 -0.207 -3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.187 1.121 -7.395 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.228 -0.006 -5.505 1.00 0.00 H new ATOM 790 N PRO A 72 -3.214 5.762 -7.357 1.00 0.00 N ATOM 791 CA PRO A 72 -4.174 6.524 -8.137 1.00 0.00 C ATOM 792 C PRO A 72 -4.923 5.621 -9.118 1.00 0.00 C ATOM 793 O PRO A 72 -4.654 5.644 -10.318 1.00 0.00 O ATOM 794 CB PRO A 72 -3.353 7.600 -8.828 1.00 0.00 C ATOM 795 CG PRO A 72 -1.912 7.120 -8.781 1.00 0.00 C ATOM 796 CD PRO A 72 -1.834 5.976 -7.783 1.00 0.00 C ATOM 0 HA PRO A 72 -4.955 6.971 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.684 7.743 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.462 8.559 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.588 6.789 -9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.249 7.932 -8.483 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.417 5.079 -8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.194 6.230 -6.938 1.00 0.00 H new ATOM 801 N GLN A 73 -5.850 4.847 -8.572 1.00 0.00 N ATOM 802 CA GLN A 73 -6.640 3.938 -9.384 1.00 0.00 C ATOM 803 C GLN A 73 -5.726 3.053 -10.233 1.00 0.00 C ATOM 804 O GLN A 73 -4.514 3.262 -10.270 1.00 0.00 O ATOM 805 CB GLN A 73 -7.630 4.707 -10.262 1.00 0.00 C ATOM 806 CG GLN A 73 -8.955 4.929 -9.529 1.00 0.00 C ATOM 807 CD GLN A 73 -9.434 6.374 -9.691 1.00 0.00 C ATOM 808 OE1 GLN A 73 -10.475 6.649 -10.265 1.00 0.00 O ATOM 809 NE2 GLN A 73 -8.620 7.277 -9.154 1.00 0.00 N ATOM 0 H GLN A 73 -6.071 4.831 -7.576 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.218 3.296 -8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.201 5.668 -10.544 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.809 4.155 -11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.710 4.246 -9.919 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.833 4.699 -8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.764 6.978 -8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.852 8.269 -9.208 1.00 0.00 H new ATOM 816 N SER A 74 -6.340 2.084 -10.895 1.00 0.00 N ATOM 817 CA SER A 74 -5.597 1.167 -11.742 1.00 0.00 C ATOM 818 C SER A 74 -6.538 0.510 -12.754 1.00 0.00 C ATOM 819 O SER A 74 -7.604 1.044 -13.054 1.00 0.00 O ATOM 820 CB SER A 74 -4.886 0.100 -10.907 1.00 0.00 C ATOM 821 OG SER A 74 -4.268 0.654 -9.748 1.00 0.00 O ATOM 0 H SER A 74 -7.345 1.914 -10.862 1.00 0.00 H new ATOM 0 HA SER A 74 -4.837 1.736 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.604 -0.663 -10.606 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.132 -0.396 -11.518 1.00 0.00 H new ATOM 0 HG SER A 74 -4.191 -0.036 -9.057 1.00 0.00 H new ATOM 826 N ALA A 75 -6.108 -0.640 -13.253 1.00 0.00 N ATOM 827 CA ALA A 75 -6.898 -1.376 -14.224 1.00 0.00 C ATOM 828 C ALA A 75 -7.028 -2.832 -13.773 1.00 0.00 C ATOM 829 O ALA A 75 -6.162 -3.345 -13.065 1.00 0.00 O ATOM 830 CB ALA A 75 -6.255 -1.249 -15.607 1.00 0.00 C ATOM 0 H ALA A 75 -5.222 -1.080 -13.003 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.904 -0.962 -14.292 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.848 -1.801 -16.336 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.214 -0.198 -15.894 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.245 -1.657 -15.577 1.00 0.00 H new ATOM 836 N PRO A 76 -8.145 -3.473 -14.212 1.00 0.00 N ATOM 837 CA PRO A 76 -8.398 -4.860 -13.861 1.00 0.00 C ATOM 838 C PRO A 76 -7.499 -5.803 -14.663 1.00 0.00 C ATOM 839 O PRO A 76 -7.274 -5.587 -15.854 1.00 0.00 O ATOM 840 CB PRO A 76 -9.878 -5.071 -14.138 1.00 0.00 C ATOM 841 CG PRO A 76 -10.294 -3.942 -15.066 1.00 0.00 C ATOM 842 CD PRO A 76 -9.190 -2.897 -15.052 1.00 0.00 C ATOM 0 HA PRO A 76 -8.165 -5.079 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.054 -6.042 -14.601 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.455 -5.049 -13.214 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.452 -4.317 -16.077 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.237 -3.505 -14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.823 -2.695 -16.058 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.546 -1.950 -14.647 1.00 0.00 H new ATOM 847 N GLY A 77 -7.010 -6.826 -13.980 1.00 0.00 N ATOM 848 CA GLY A 77 -6.139 -7.802 -14.615 1.00 0.00 C ATOM 849 C GLY A 77 -4.771 -7.195 -14.930 1.00 0.00 C ATOM 850 O GLY A 77 -4.043 -7.705 -15.780 1.00 0.00 O ATOM 0 H GLY A 77 -7.200 -7.001 -12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.016 -8.665 -13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.601 -8.163 -15.534 1.00 0.00 H new ATOM 854 N ALA A 78 -4.464 -6.113 -14.230 1.00 0.00 N ATOM 855 CA ALA A 78 -3.197 -5.430 -14.425 1.00 0.00 C ATOM 856 C ALA A 78 -2.484 -5.292 -13.078 1.00 0.00 C ATOM 857 O ALA A 78 -3.121 -5.342 -12.027 1.00 0.00 O ATOM 858 CB ALA A 78 -3.443 -4.078 -15.096 1.00 0.00 C ATOM 0 H ALA A 78 -5.071 -5.692 -13.527 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.548 -6.007 -15.084 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.492 -3.566 -15.242 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.924 -4.233 -16.062 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.089 -3.470 -14.463 1.00 0.00 H new ATOM 864 N LEU A 79 -1.172 -5.120 -13.153 1.00 0.00 N ATOM 865 CA LEU A 79 -0.366 -4.974 -11.954 1.00 0.00 C ATOM 866 C LEU A 79 0.415 -3.660 -12.026 1.00 0.00 C ATOM 867 O LEU A 79 1.330 -3.523 -12.837 1.00 0.00 O ATOM 868 CB LEU A 79 0.518 -6.206 -11.749 1.00 0.00 C ATOM 869 CG LEU A 79 0.550 -7.208 -12.904 1.00 0.00 C ATOM 870 CD1 LEU A 79 -0.842 -7.786 -13.169 1.00 0.00 C ATOM 871 CD2 LEU A 79 1.157 -6.576 -14.160 1.00 0.00 C ATOM 0 H LEU A 79 -0.647 -5.079 -14.027 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.003 -4.918 -11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.537 -5.870 -11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.180 -6.726 -10.852 1.00 0.00 H new ATOM 0 HG LEU A 79 1.194 -8.040 -12.617 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.790 -8.495 -13.995 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.201 -8.296 -12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.528 -6.979 -13.426 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.168 -7.309 -14.967 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.559 -5.716 -14.460 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.176 -6.253 -13.949 1.00 0.00 H new ATOM 882 N VAL A 80 0.027 -2.730 -11.167 1.00 0.00 N ATOM 883 CA VAL A 80 0.680 -1.432 -11.125 1.00 0.00 C ATOM 884 C VAL A 80 2.105 -1.602 -10.595 1.00 0.00 C ATOM 885 O VAL A 80 2.445 -1.080 -9.535 1.00 0.00 O ATOM 886 CB VAL A 80 -0.153 -0.454 -10.294 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.595 0.865 -10.087 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.520 -0.214 -10.938 1.00 0.00 C ATOM 0 H VAL A 80 -0.731 -2.849 -10.495 1.00 0.00 H new ATOM 0 HA VAL A 80 0.752 -1.008 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.318 -0.903 -9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.019 1.542 -9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.533 0.674 -9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.805 1.320 -11.055 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.092 0.485 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.384 0.203 -11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.059 -1.159 -11.010 1.00 0.00 H new ATOM 898 N GLU A 81 2.904 -2.334 -11.360 1.00 0.00 N ATOM 899 CA GLU A 81 4.284 -2.578 -10.982 1.00 0.00 C ATOM 900 C GLU A 81 5.137 -1.336 -11.253 1.00 0.00 C ATOM 901 O GLU A 81 5.088 -0.771 -12.344 1.00 0.00 O ATOM 902 CB GLU A 81 4.846 -3.798 -11.715 1.00 0.00 C ATOM 903 CG GLU A 81 4.688 -3.649 -13.229 1.00 0.00 C ATOM 904 CD GLU A 81 5.667 -4.558 -13.975 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.345 -5.759 -14.100 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.716 -4.030 -14.403 1.00 0.00 O ATOM 0 H GLU A 81 2.620 -2.765 -12.240 1.00 0.00 H new ATOM 0 HA GLU A 81 4.315 -2.790 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.900 -3.922 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.331 -4.698 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.666 -3.895 -13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.859 -2.611 -13.516 1.00 0.00 H new ATOM 911 N ARG A 82 5.899 -0.949 -10.240 1.00 0.00 N ATOM 912 CA ARG A 82 6.760 0.215 -10.355 1.00 0.00 C ATOM 913 C ARG A 82 8.166 -0.112 -9.848 1.00 0.00 C ATOM 914 O ARG A 82 8.505 0.191 -8.705 1.00 0.00 O ATOM 915 CB ARG A 82 6.201 1.395 -9.558 1.00 0.00 C ATOM 916 CG ARG A 82 6.451 2.718 -10.288 1.00 0.00 C ATOM 917 CD ARG A 82 5.133 3.425 -10.608 1.00 0.00 C ATOM 918 NE ARG A 82 4.248 2.523 -11.379 1.00 0.00 N ATOM 919 CZ ARG A 82 4.346 2.322 -12.700 1.00 0.00 C ATOM 920 NH1 ARG A 82 5.292 2.959 -13.405 1.00 0.00 N ATOM 921 NH2 ARG A 82 3.501 1.485 -13.315 1.00 0.00 N ATOM 0 H ARG A 82 5.938 -1.421 -9.337 1.00 0.00 H new ATOM 0 HA ARG A 82 6.804 0.491 -11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.131 1.258 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.666 1.426 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.075 3.365 -9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.000 2.530 -11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.640 3.729 -9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.327 4.333 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 82 3.517 2.023 -10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.936 3.596 -12.936 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.368 2.807 -14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.782 1.000 -12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.576 1.332 -14.321 1.00 0.00 H new ATOM 1166 N ALA A 99 7.472 -0.222 -6.375 1.00 0.00 N ATOM 1167 CA ALA A 99 6.643 -1.214 -5.711 1.00 0.00 C ATOM 1168 C ALA A 99 6.067 -2.172 -6.757 1.00 0.00 C ATOM 1169 O ALA A 99 6.416 -2.095 -7.933 1.00 0.00 O ATOM 1170 CB ALA A 99 5.551 -0.509 -4.903 1.00 0.00 C ATOM 0 HA ALA A 99 7.236 -1.805 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.929 -1.253 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.011 0.138 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.934 0.091 -5.572 1.00 0.00 H new ATOM 1176 N TYR A 100 5.195 -3.052 -6.288 1.00 0.00 N ATOM 1177 CA TYR A 100 4.567 -4.025 -7.167 1.00 0.00 C ATOM 1178 C TYR A 100 3.217 -4.476 -6.610 1.00 0.00 C ATOM 1179 O TYR A 100 3.162 -5.232 -5.641 1.00 0.00 O ATOM 1180 CB TYR A 100 5.515 -5.225 -7.212 1.00 0.00 C ATOM 1181 CG TYR A 100 6.974 -4.857 -7.485 1.00 0.00 C ATOM 1182 CD1 TYR A 100 7.783 -4.430 -6.451 1.00 0.00 C ATOM 1183 CD2 TYR A 100 7.482 -4.952 -8.765 1.00 0.00 C ATOM 1184 CE1 TYR A 100 9.157 -4.083 -6.708 1.00 0.00 C ATOM 1185 CE2 TYR A 100 8.856 -4.605 -9.022 1.00 0.00 C ATOM 1186 CZ TYR A 100 9.625 -4.188 -7.981 1.00 0.00 C ATOM 1187 OH TYR A 100 10.923 -3.860 -8.223 1.00 0.00 O ATOM 0 H TYR A 100 4.908 -3.112 -5.311 1.00 0.00 H new ATOM 0 HA TYR A 100 4.390 -3.595 -8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.457 -5.756 -6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.175 -5.915 -7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.386 -4.356 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.849 -5.287 -9.574 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.801 -3.747 -5.909 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.266 -4.674 -10.019 1.00 0.00 H new ATOM 0 HH TYR A 100 11.120 -3.984 -9.175 1.00 0.00 H new ATOM 1196 N ARG A 101 2.158 -3.993 -7.246 1.00 0.00 N ATOM 1197 CA ARG A 101 0.811 -4.339 -6.825 1.00 0.00 C ATOM 1198 C ARG A 101 0.025 -4.931 -7.997 1.00 0.00 C ATOM 1199 O ARG A 101 0.182 -4.496 -9.136 1.00 0.00 O ATOM 1200 CB ARG A 101 0.070 -3.110 -6.291 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.475 -3.369 -4.884 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.608 -2.397 -4.550 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.628 -3.076 -3.719 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.574 -3.161 -2.383 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -1.549 -2.612 -1.717 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.544 -3.798 -1.712 1.00 0.00 N ATOM 0 H ARG A 101 2.206 -3.366 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 101 0.891 -5.077 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.744 -2.254 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.750 -2.855 -6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.838 -4.395 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.327 -3.263 -4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.211 -1.532 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.063 -2.026 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.422 -3.506 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.809 -2.129 -2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.508 -2.677 -0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.323 -4.218 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.503 -3.863 -0.695 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.804 -5.912 -7.675 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.615 -6.569 -8.687 1.00 0.00 C ATOM 1219 C GLU A 102 -3.090 -6.204 -8.502 1.00 0.00 C ATOM 1220 O GLU A 102 -3.523 -5.898 -7.393 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.416 -8.086 -8.650 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.880 -8.668 -7.314 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.708 -10.188 -7.289 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.668 -10.875 -7.700 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.620 -10.627 -6.858 1.00 0.00 O ATOM 0 H GLU A 102 -0.932 -6.268 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.294 -6.218 -9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.972 -8.549 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.364 -8.322 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.309 -8.220 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.927 -8.414 -7.146 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.819 -6.251 -9.607 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.236 -5.930 -9.581 1.00 0.00 C ATOM 1232 C CYS A 103 -6.000 -7.074 -10.250 1.00 0.00 C ATOM 1233 O CYS A 103 -5.626 -7.526 -11.331 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.524 -4.583 -10.250 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.162 -3.289 -9.125 1.00 0.00 S ATOM 0 H CYS A 103 -3.456 -6.506 -10.525 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.569 -5.827 -8.548 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.607 -4.221 -10.715 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.248 -4.738 -11.050 1.00 0.00 H new ATOM 1239 N LEU A 104 -7.058 -7.508 -9.582 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.877 -8.591 -10.098 1.00 0.00 C ATOM 1241 C LEU A 104 -8.573 -8.131 -11.381 1.00 0.00 C ATOM 1242 O LEU A 104 -8.562 -6.945 -11.706 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.843 -9.093 -9.022 1.00 0.00 C ATOM 1244 CG LEU A 104 -8.229 -9.965 -7.924 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -9.186 -10.111 -6.740 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.795 -11.322 -8.482 1.00 0.00 C ATOM 0 H LEU A 104 -7.367 -7.129 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.255 -9.447 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.313 -8.229 -8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.635 -9.661 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.333 -9.468 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.725 -10.735 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.403 -9.127 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.113 -10.575 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.362 -11.923 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.661 -11.839 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.053 -11.172 -9.266 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.161 -9.094 -12.075 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.860 -8.803 -13.314 1.00 0.00 C ATOM 1259 C GLU A 105 -11.251 -8.235 -13.020 1.00 0.00 C ATOM 1260 O GLU A 105 -12.014 -7.944 -13.940 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.953 -10.048 -14.198 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.104 -9.890 -15.461 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.560 -10.858 -16.553 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.778 -10.859 -16.839 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -8.682 -11.576 -17.080 1.00 0.00 O ATOM 0 H GLU A 105 -9.167 -10.077 -11.802 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.290 -8.051 -13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.619 -10.921 -13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.992 -10.225 -14.474 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.175 -8.865 -15.826 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.056 -10.072 -15.224 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.537 -8.095 -11.734 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.822 -7.568 -11.307 1.00 0.00 C ATOM 1272 C ASN A 106 -12.696 -6.062 -11.066 1.00 0.00 C ATOM 1273 O ASN A 106 -13.679 -5.397 -10.744 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.277 -8.220 -9.999 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.801 -8.343 -9.951 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.500 -7.510 -9.396 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.276 -9.425 -10.558 1.00 0.00 N ATOM 0 H ASN A 106 -10.901 -8.337 -10.974 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.551 -7.781 -12.089 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.825 -9.207 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.929 -7.628 -9.153 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.281 -9.598 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.636 -10.082 -11.003 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.477 -5.569 -11.230 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.209 -4.155 -11.035 1.00 0.00 C ATOM 1285 C GLY A 107 -11.007 -3.835 -9.553 1.00 0.00 C ATOM 1286 O GLY A 107 -11.360 -2.749 -9.094 1.00 0.00 O ATOM 0 H GLY A 107 -10.664 -6.124 -11.496 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.320 -3.869 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.038 -3.566 -11.428 1.00 0.00 H new ATOM 1290 N THR A 108 -10.439 -4.799 -8.844 1.00 0.00 N ATOM 1291 CA THR A 108 -10.186 -4.634 -7.423 1.00 0.00 C ATOM 1292 C THR A 108 -8.700 -4.835 -7.120 1.00 0.00 C ATOM 1293 O THR A 108 -7.966 -5.392 -7.934 1.00 0.00 O ATOM 1294 CB THR A 108 -11.097 -5.601 -6.664 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.680 -6.890 -7.109 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.556 -5.506 -7.113 1.00 0.00 C ATOM 0 H THR A 108 -10.147 -5.698 -9.227 1.00 0.00 H new ATOM 0 HA THR A 108 -10.419 -3.621 -7.095 1.00 0.00 H new ATOM 0 HB THR A 108 -11.033 -5.397 -5.595 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.218 -7.579 -6.665 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.159 -6.213 -6.543 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.924 -4.494 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.626 -5.743 -8.175 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.301 -4.368 -5.945 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.915 -4.489 -5.524 1.00 0.00 C ATOM 1306 C TRP A 109 -6.708 -5.905 -4.982 1.00 0.00 C ATOM 1307 O TRP A 109 -7.589 -6.754 -5.099 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.553 -3.401 -4.511 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.148 -2.070 -5.146 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.708 -0.865 -4.965 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.067 -1.854 -6.076 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.068 0.106 -5.708 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.038 -0.515 -6.405 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.142 -2.763 -6.622 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.106 0.038 -7.291 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.216 -2.194 -7.506 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.175 -0.847 -7.847 1.00 0.00 C ATOM 0 H TRP A 109 -8.913 -3.906 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.240 -4.337 -6.367 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.406 -3.233 -3.853 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.734 -3.758 -3.887 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.553 -0.678 -4.319 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.307 1.097 -5.740 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.146 -3.815 -6.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.105 1.091 -7.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.482 -2.848 -7.954 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.428 -0.485 -8.538 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.536 -6.115 -4.400 1.00 0.00 N ATOM 1328 CA ALA A 110 -5.202 -7.413 -3.839 1.00 0.00 C ATOM 1329 C ALA A 110 -4.875 -7.252 -2.353 1.00 0.00 C ATOM 1330 O ALA A 110 -5.307 -6.292 -1.719 1.00 0.00 O ATOM 1331 CB ALA A 110 -4.043 -8.027 -4.628 1.00 0.00 C ATOM 0 H ALA A 110 -4.807 -5.408 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.048 -8.095 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.792 -9.001 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.336 -8.147 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.174 -7.371 -4.568 1.00 0.00 H new ATOM 1337 N SER A 111 -4.114 -8.209 -1.840 1.00 0.00 N ATOM 1338 CA SER A 111 -3.725 -8.186 -0.441 1.00 0.00 C ATOM 1339 C SER A 111 -2.988 -6.882 -0.124 1.00 0.00 C ATOM 1340 O SER A 111 -3.487 -6.054 0.637 1.00 0.00 O ATOM 1341 CB SER A 111 -2.845 -9.389 -0.094 1.00 0.00 C ATOM 1342 OG SER A 111 -3.143 -9.912 1.198 1.00 0.00 O ATOM 0 H SER A 111 -3.757 -9.005 -2.369 1.00 0.00 H new ATOM 0 HA SER A 111 -4.629 -8.243 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.985 -10.169 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.796 -9.095 -0.133 1.00 0.00 H new ATOM 0 HG SER A 111 -2.562 -10.679 1.382 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.815 -6.743 -0.723 1.00 0.00 N ATOM 1348 CA ARG A 112 -1.006 -5.554 -0.514 1.00 0.00 C ATOM 1349 C ARG A 112 0.266 -5.623 -1.360 1.00 0.00 C ATOM 1350 O ARG A 112 0.638 -6.691 -1.843 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.624 -5.400 0.960 1.00 0.00 C ATOM 1352 CG ARG A 112 0.177 -6.609 1.447 1.00 0.00 C ATOM 1353 CD ARG A 112 -0.722 -7.595 2.197 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.348 -7.633 3.628 1.00 0.00 N ATOM 1355 CZ ARG A 112 0.853 -8.017 4.081 1.00 0.00 C ATOM 1356 NH1 ARG A 112 1.804 -8.398 3.217 1.00 0.00 N ATOM 1357 NH2 ARG A 112 1.104 -8.019 5.397 1.00 0.00 N ATOM 0 H ARG A 112 -1.405 -7.433 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.600 -4.691 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.036 -4.492 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.525 -5.289 1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.641 -7.109 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.983 -6.276 2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.766 -7.299 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.628 -8.590 1.761 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.049 -7.349 4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.613 -8.396 2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.718 -8.690 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.381 -7.728 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.019 -8.311 5.741 1.00 0.00 H new ATOM 1368 N VAL A 113 0.901 -4.469 -1.513 1.00 0.00 N ATOM 1369 CA VAL A 113 2.124 -4.385 -2.292 1.00 0.00 C ATOM 1370 C VAL A 113 2.982 -5.621 -2.020 1.00 0.00 C ATOM 1371 O VAL A 113 2.990 -6.144 -0.906 1.00 0.00 O ATOM 1372 CB VAL A 113 2.850 -3.073 -1.987 1.00 0.00 C ATOM 1373 CG1 VAL A 113 3.728 -3.210 -0.742 1.00 0.00 C ATOM 1374 CG2 VAL A 113 3.672 -2.609 -3.190 1.00 0.00 C ATOM 0 H VAL A 113 0.591 -3.585 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 113 1.898 -4.375 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 113 2.097 -2.312 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.233 -2.264 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.107 -3.473 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.471 -3.991 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.178 -1.675 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.413 -3.369 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.012 -2.453 -4.043 1.00 0.00 H new