USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 761 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 45 CYS SG : rot 79:sc= 0.825 USER MOD Set 1.2: A 68 GLN : amide:sc= -0.732 K(o=0.093,f=0.82) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -133:sc= -0.568 (180deg=0) USER MOD Set 2.2: A 72 TYR OH : rot 166:sc= -0.563 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= 0.964 (180deg=-0.79!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -56:sc= 1 USER MOD Single : A 59 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.933 K(o=-0.93,f=0) USER MOD Single : A 65 THR OG1 : rot 74:sc= 0.995 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 73 CYS SG : rot 83:sc= -0.571 USER MOD Single : A 74 SER OG : rot -82:sc= 0.774 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.943 K(o=-0.94,f=-4.8!) USER MOD Single : A 86 LYS NZ :NH3+ -111:sc= 2.1 (180deg=0.744) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -113:sc= 0.326 (180deg=-0.0286) USER MOD Single : A 99 SER OG : rot 170:sc= -0.234 USER MOD Single : A 101 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.4) USER MOD Single : A 104 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.41) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.224 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.947 K(o=0.95,f=-0.77) USER MOD Single : A 120 ASN : amide:sc=-0.00444 X(o=-0.0044,f=-0.36) USER MOD Single : A 121 ASN : amide:sc= -0.205 K(o=-0.2,f=-3!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 75:sc= 0.185 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 130 SER OG : rot -75:sc= 0.555 USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.163 -11.627 -10.548 1.00 74.04 N ATOM 529 CA LYS A 36 -7.692 -10.595 -11.480 1.00 55.45 C ATOM 530 C LYS A 36 -6.394 -9.941 -10.966 1.00 22.54 C ATOM 531 O LYS A 36 -5.578 -9.449 -11.750 1.00 72.04 O ATOM 532 CB LYS A 36 -8.803 -9.538 -11.679 1.00 63.32 C ATOM 533 CG LYS A 36 -8.502 -8.455 -12.724 1.00 44.42 C ATOM 534 CD LYS A 36 -7.714 -7.277 -12.144 1.00 64.41 C ATOM 535 CE LYS A 36 -7.374 -6.241 -13.211 1.00 13.33 C ATOM 536 NZ LYS A 36 -6.554 -5.126 -12.664 1.00 50.04 N ATOM 0 HA LYS A 36 -7.466 -11.058 -12.441 1.00 55.45 H new ATOM 0 HB2 LYS A 36 -9.721 -10.050 -11.966 1.00 63.32 H new ATOM 0 HB3 LYS A 36 -8.995 -9.052 -10.722 1.00 63.32 H new ATOM 0 HG2 LYS A 36 -7.937 -8.896 -13.545 1.00 44.42 H new ATOM 0 HG3 LYS A 36 -9.440 -8.089 -13.142 1.00 44.42 H new ATOM 0 HD2 LYS A 36 -8.296 -6.805 -11.352 1.00 64.41 H new ATOM 0 HD3 LYS A 36 -6.794 -7.644 -11.688 1.00 64.41 H new ATOM 0 HE2 LYS A 36 -6.833 -6.723 -14.025 1.00 13.33 H new ATOM 0 HE3 LYS A 36 -8.295 -5.840 -13.634 1.00 13.33 H new ATOM 0 HZ1 LYS A 36 -6.949 -4.217 -12.980 1.00 50.04 H new ATOM 0 HZ2 LYS A 36 -6.564 -5.165 -11.625 1.00 50.04 H new ATOM 0 HZ3 LYS A 36 -5.575 -5.215 -13.005 1.00 50.04 H new ATOM 550 N ILE A 37 -6.209 -9.939 -9.649 1.00 42.41 N ATOM 551 CA ILE A 37 -5.022 -9.329 -9.039 1.00 53.31 C ATOM 552 C ILE A 37 -3.758 -10.169 -9.288 1.00 62.32 C ATOM 553 O ILE A 37 -3.490 -11.141 -8.581 1.00 0.44 O ATOM 554 CB ILE A 37 -5.199 -9.127 -7.512 1.00 72.52 C ATOM 555 CG1 ILE A 37 -6.515 -8.386 -7.210 1.00 10.03 C ATOM 556 CG2 ILE A 37 -4.002 -8.372 -6.928 1.00 44.22 C ATOM 557 CD1 ILE A 37 -6.672 -7.079 -7.957 1.00 24.10 C ATOM 0 H ILE A 37 -6.861 -10.351 -8.982 1.00 42.41 H new ATOM 0 HA ILE A 37 -4.904 -8.356 -9.516 1.00 53.31 H new ATOM 0 HB ILE A 37 -5.247 -10.108 -7.039 1.00 72.52 H new ATOM 0 HG12 ILE A 37 -7.352 -9.038 -7.459 1.00 10.03 H new ATOM 0 HG13 ILE A 37 -6.572 -8.190 -6.139 1.00 10.03 H new ATOM 0 HG21 ILE A 37 -4.144 -8.239 -5.855 1.00 44.22 H new ATOM 0 HG22 ILE A 37 -3.090 -8.942 -7.106 1.00 44.22 H new ATOM 0 HG23 ILE A 37 -3.919 -7.396 -7.406 1.00 44.22 H new ATOM 0 HD11 ILE A 37 -7.624 -6.619 -7.690 1.00 24.10 H new ATOM 0 HD12 ILE A 37 -5.857 -6.407 -7.690 1.00 24.10 H new ATOM 0 HD13 ILE A 37 -6.649 -7.268 -9.030 1.00 24.10 H new ATOM 569 N SER A 38 -2.990 -9.790 -10.306 1.00 71.31 N ATOM 570 CA SER A 38 -1.743 -10.490 -10.647 1.00 51.12 C ATOM 571 C SER A 38 -0.553 -9.961 -9.826 1.00 55.52 C ATOM 572 O SER A 38 -0.542 -8.804 -9.399 1.00 51.22 O ATOM 573 CB SER A 38 -1.448 -10.348 -12.147 1.00 31.53 C ATOM 574 OG SER A 38 -2.502 -10.889 -12.933 1.00 42.32 O ATOM 0 H SER A 38 -3.206 -9.000 -10.914 1.00 71.31 H new ATOM 0 HA SER A 38 -1.878 -11.544 -10.402 1.00 51.12 H new ATOM 0 HB2 SER A 38 -1.310 -9.296 -12.395 1.00 31.53 H new ATOM 0 HB3 SER A 38 -0.514 -10.857 -12.386 1.00 31.53 H new ATOM 0 HG SER A 38 -2.288 -10.784 -13.884 1.00 42.32 H new ATOM 580 N LYS A 39 0.454 -10.815 -9.633 1.00 4.33 N ATOM 581 CA LYS A 39 1.631 -10.491 -8.807 1.00 50.55 C ATOM 582 C LYS A 39 2.323 -9.194 -9.268 1.00 13.23 C ATOM 583 O LYS A 39 2.405 -8.221 -8.515 1.00 13.01 O ATOM 584 CB LYS A 39 2.625 -11.663 -8.870 1.00 73.13 C ATOM 585 CG LYS A 39 3.804 -11.557 -7.905 1.00 12.33 C ATOM 586 CD LYS A 39 4.860 -12.624 -8.203 1.00 3.14 C ATOM 587 CE LYS A 39 5.943 -12.693 -7.130 1.00 64.30 C ATOM 588 NZ LYS A 39 5.424 -13.254 -5.856 1.00 22.21 N ATOM 0 H LYS A 39 0.482 -11.749 -10.041 1.00 4.33 H new ATOM 0 HA LYS A 39 1.293 -10.332 -7.783 1.00 50.55 H new ATOM 0 HB2 LYS A 39 2.087 -12.588 -8.664 1.00 73.13 H new ATOM 0 HB3 LYS A 39 3.011 -11.739 -9.886 1.00 73.13 H new ATOM 0 HG2 LYS A 39 4.252 -10.566 -7.982 1.00 12.33 H new ATOM 0 HG3 LYS A 39 3.450 -11.668 -6.880 1.00 12.33 H new ATOM 0 HD2 LYS A 39 4.375 -13.596 -8.288 1.00 3.14 H new ATOM 0 HD3 LYS A 39 5.322 -12.413 -9.167 1.00 3.14 H new ATOM 0 HE2 LYS A 39 6.770 -13.307 -7.487 1.00 64.30 H new ATOM 0 HE3 LYS A 39 6.342 -11.694 -6.951 1.00 64.30 H new ATOM 0 HZ1 LYS A 39 6.155 -13.848 -5.415 1.00 22.21 H new ATOM 0 HZ2 LYS A 39 5.173 -12.477 -5.211 1.00 22.21 H new ATOM 0 HZ3 LYS A 39 4.580 -13.830 -6.049 1.00 22.21 H new ATOM 602 N GLU A 40 2.806 -9.180 -10.509 1.00 30.43 N ATOM 603 CA GLU A 40 3.488 -7.997 -11.055 1.00 13.51 C ATOM 604 C GLU A 40 2.525 -6.809 -11.207 1.00 4.43 C ATOM 605 O GLU A 40 2.931 -5.654 -11.081 1.00 71.21 O ATOM 606 CB GLU A 40 4.166 -8.308 -12.404 1.00 11.32 C ATOM 607 CG GLU A 40 3.231 -8.824 -13.501 1.00 23.41 C ATOM 608 CD GLU A 40 2.836 -10.280 -13.310 1.00 3.13 C ATOM 609 OE1 GLU A 40 3.630 -11.170 -13.680 1.00 63.45 O ATOM 610 OE2 GLU A 40 1.737 -10.543 -12.778 1.00 12.22 O ATOM 0 H GLU A 40 2.741 -9.966 -11.156 1.00 30.43 H new ATOM 0 HA GLU A 40 4.261 -7.720 -10.339 1.00 13.51 H new ATOM 0 HB2 GLU A 40 4.656 -7.403 -12.763 1.00 11.32 H new ATOM 0 HB3 GLU A 40 4.948 -9.049 -12.237 1.00 11.32 H new ATOM 0 HG2 GLU A 40 2.331 -8.209 -13.522 1.00 23.41 H new ATOM 0 HG3 GLU A 40 3.718 -8.710 -14.469 1.00 23.41 H new ATOM 617 N ALA A 41 1.249 -7.100 -11.463 1.00 10.12 N ATOM 618 CA ALA A 41 0.219 -6.058 -11.565 1.00 60.34 C ATOM 619 C ALA A 41 0.098 -5.261 -10.256 1.00 1.21 C ATOM 620 O ALA A 41 -0.018 -4.034 -10.264 1.00 42.44 O ATOM 621 CB ALA A 41 -1.124 -6.678 -11.930 1.00 25.02 C ATOM 0 H ALA A 41 0.901 -8.048 -11.604 1.00 10.12 H new ATOM 0 HA ALA A 41 0.518 -5.367 -12.353 1.00 60.34 H new ATOM 0 HB1 ALA A 41 -1.879 -5.895 -12.002 1.00 25.02 H new ATOM 0 HB2 ALA A 41 -1.040 -7.190 -12.888 1.00 25.02 H new ATOM 0 HB3 ALA A 41 -1.416 -7.393 -11.161 1.00 25.02 H new ATOM 627 N LEU A 42 0.122 -5.970 -9.132 1.00 14.02 N ATOM 628 CA LEU A 42 0.119 -5.328 -7.817 1.00 35.23 C ATOM 629 C LEU A 42 1.432 -4.551 -7.605 1.00 31.21 C ATOM 630 O LEU A 42 1.429 -3.415 -7.123 1.00 53.35 O ATOM 631 CB LEU A 42 -0.087 -6.396 -6.720 1.00 64.24 C ATOM 632 CG LEU A 42 -0.300 -5.879 -5.277 1.00 53.11 C ATOM 633 CD1 LEU A 42 -0.950 -6.957 -4.414 1.00 51.34 C ATOM 634 CD2 LEU A 42 1.018 -5.434 -4.644 1.00 54.21 C ATOM 0 H LEU A 42 0.144 -6.989 -9.103 1.00 14.02 H new ATOM 0 HA LEU A 42 -0.703 -4.615 -7.759 1.00 35.23 H new ATOM 0 HB2 LEU A 42 -0.949 -7.003 -6.994 1.00 64.24 H new ATOM 0 HB3 LEU A 42 0.781 -7.056 -6.720 1.00 64.24 H new ATOM 0 HG LEU A 42 -0.962 -5.015 -5.331 1.00 53.11 H new ATOM 0 HD11 LEU A 42 -1.092 -6.577 -3.403 1.00 51.34 H new ATOM 0 HD12 LEU A 42 -1.916 -7.229 -4.839 1.00 51.34 H new ATOM 0 HD13 LEU A 42 -0.306 -7.836 -4.384 1.00 51.34 H new ATOM 0 HD21 LEU A 42 0.833 -5.077 -3.631 1.00 54.21 H new ATOM 0 HD22 LEU A 42 1.709 -6.277 -4.611 1.00 54.21 H new ATOM 0 HD23 LEU A 42 1.454 -4.631 -5.238 1.00 54.21 H new ATOM 646 N LEU A 43 2.550 -5.168 -7.992 1.00 73.24 N ATOM 647 CA LEU A 43 3.878 -4.560 -7.833 1.00 33.33 C ATOM 648 C LEU A 43 4.017 -3.238 -8.614 1.00 61.12 C ATOM 649 O LEU A 43 4.596 -2.276 -8.107 1.00 73.53 O ATOM 650 CB LEU A 43 4.972 -5.546 -8.275 1.00 54.25 C ATOM 651 CG LEU A 43 5.071 -6.835 -7.441 1.00 72.30 C ATOM 652 CD1 LEU A 43 6.125 -7.780 -8.016 1.00 30.13 C ATOM 653 CD2 LEU A 43 5.378 -6.509 -5.980 1.00 41.52 C ATOM 0 H LEU A 43 2.565 -6.094 -8.420 1.00 73.24 H new ATOM 0 HA LEU A 43 3.998 -4.328 -6.775 1.00 33.33 H new ATOM 0 HB2 LEU A 43 4.794 -5.819 -9.315 1.00 54.25 H new ATOM 0 HB3 LEU A 43 5.934 -5.035 -8.240 1.00 54.25 H new ATOM 0 HG LEU A 43 4.106 -7.340 -7.485 1.00 72.30 H new ATOM 0 HD11 LEU A 43 6.175 -8.683 -7.408 1.00 30.13 H new ATOM 0 HD12 LEU A 43 5.857 -8.045 -9.039 1.00 30.13 H new ATOM 0 HD13 LEU A 43 7.097 -7.286 -8.013 1.00 30.13 H new ATOM 0 HD21 LEU A 43 5.444 -7.434 -5.407 1.00 41.52 H new ATOM 0 HD22 LEU A 43 6.326 -5.975 -5.918 1.00 41.52 H new ATOM 0 HD23 LEU A 43 4.583 -5.885 -5.572 1.00 41.52 H new ATOM 665 N GLU A 44 3.500 -3.191 -9.844 1.00 12.30 N ATOM 666 CA GLU A 44 3.575 -1.967 -10.656 1.00 50.41 C ATOM 667 C GLU A 44 2.715 -0.847 -10.043 1.00 74.23 C ATOM 668 O GLU A 44 3.115 0.319 -10.026 1.00 41.21 O ATOM 669 CB GLU A 44 3.152 -2.234 -12.113 1.00 51.00 C ATOM 670 CG GLU A 44 1.666 -2.531 -12.300 1.00 4.52 C ATOM 671 CD GLU A 44 1.270 -2.676 -13.762 1.00 73.33 C ATOM 672 OE1 GLU A 44 1.408 -1.692 -14.518 1.00 51.20 O ATOM 673 OE2 GLU A 44 0.821 -3.770 -14.166 1.00 55.11 O ATOM 0 H GLU A 44 3.030 -3.974 -10.298 1.00 12.30 H new ATOM 0 HA GLU A 44 4.615 -1.640 -10.661 1.00 50.41 H new ATOM 0 HB2 GLU A 44 3.414 -1.366 -12.718 1.00 51.00 H new ATOM 0 HB3 GLU A 44 3.728 -3.076 -12.496 1.00 51.00 H new ATOM 0 HG2 GLU A 44 1.414 -3.449 -11.768 1.00 4.52 H new ATOM 0 HG3 GLU A 44 1.081 -1.730 -11.848 1.00 4.52 H new ATOM 680 N CYS A 45 1.539 -1.211 -9.525 1.00 43.41 N ATOM 681 CA CYS A 45 0.665 -0.252 -8.833 1.00 13.21 C ATOM 682 C CYS A 45 1.359 0.317 -7.590 1.00 15.23 C ATOM 683 O CYS A 45 1.346 1.523 -7.354 1.00 74.32 O ATOM 684 CB CYS A 45 -0.659 -0.917 -8.430 1.00 54.14 C ATOM 685 SG CYS A 45 -1.683 -1.444 -9.826 1.00 55.34 S ATOM 0 H CYS A 45 1.168 -2.160 -9.570 1.00 43.41 H new ATOM 0 HA CYS A 45 0.454 0.565 -9.523 1.00 13.21 H new ATOM 0 HB2 CYS A 45 -0.441 -1.784 -7.806 1.00 54.14 H new ATOM 0 HB3 CYS A 45 -1.231 -0.220 -7.818 1.00 54.14 H new ATOM 0 HG CYS A 45 -1.224 -2.563 -10.303 1.00 55.34 H new ATOM 691 N ALA A 46 1.970 -0.565 -6.798 1.00 32.40 N ATOM 692 CA ALA A 46 2.726 -0.151 -5.612 1.00 73.54 C ATOM 693 C ALA A 46 3.925 0.736 -5.989 1.00 5.40 C ATOM 694 O ALA A 46 4.268 1.682 -5.274 1.00 11.41 O ATOM 695 CB ALA A 46 3.194 -1.378 -4.837 1.00 40.25 C ATOM 0 H ALA A 46 1.957 -1.573 -6.956 1.00 32.40 H new ATOM 0 HA ALA A 46 2.064 0.441 -4.979 1.00 73.54 H new ATOM 0 HB1 ALA A 46 3.755 -1.061 -3.958 1.00 40.25 H new ATOM 0 HB2 ALA A 46 2.329 -1.963 -4.524 1.00 40.25 H new ATOM 0 HB3 ALA A 46 3.833 -1.989 -5.474 1.00 40.25 H new ATOM 701 N ASP A 47 4.553 0.419 -7.123 1.00 41.23 N ATOM 702 CA ASP A 47 5.675 1.208 -7.641 1.00 4.23 C ATOM 703 C ASP A 47 5.260 2.669 -7.884 1.00 5.11 C ATOM 704 O ASP A 47 6.018 3.595 -7.589 1.00 65.23 O ATOM 705 CB ASP A 47 6.201 0.580 -8.937 1.00 3.14 C ATOM 706 CG ASP A 47 7.365 1.356 -9.528 1.00 22.31 C ATOM 707 OD1 ASP A 47 8.490 1.241 -9.000 1.00 21.23 O ATOM 708 OD2 ASP A 47 7.161 2.081 -10.521 1.00 13.24 O ATOM 0 H ASP A 47 4.303 -0.382 -7.703 1.00 41.23 H new ATOM 0 HA ASP A 47 6.469 1.206 -6.895 1.00 4.23 H new ATOM 0 HB2 ASP A 47 6.515 -0.445 -8.739 1.00 3.14 H new ATOM 0 HB3 ASP A 47 5.393 0.531 -9.667 1.00 3.14 H new ATOM 713 N LEU A 48 4.051 2.865 -8.409 1.00 30.03 N ATOM 714 CA LEU A 48 3.513 4.211 -8.640 1.00 12.24 C ATOM 715 C LEU A 48 3.557 5.063 -7.362 1.00 32.23 C ATOM 716 O LEU A 48 3.883 6.248 -7.408 1.00 3.45 O ATOM 717 CB LEU A 48 2.074 4.128 -9.169 1.00 75.42 C ATOM 718 CG LEU A 48 1.924 3.457 -10.545 1.00 21.54 C ATOM 719 CD1 LEU A 48 0.457 3.398 -10.963 1.00 35.11 C ATOM 720 CD2 LEU A 48 2.759 4.190 -11.594 1.00 15.24 C ATOM 0 H LEU A 48 3.423 2.110 -8.684 1.00 30.03 H new ATOM 0 HA LEU A 48 4.142 4.694 -9.388 1.00 12.24 H new ATOM 0 HB2 LEU A 48 1.469 3.580 -8.447 1.00 75.42 H new ATOM 0 HB3 LEU A 48 1.666 5.137 -9.227 1.00 75.42 H new ATOM 0 HG LEU A 48 2.294 2.434 -10.468 1.00 21.54 H new ATOM 0 HD11 LEU A 48 0.376 2.920 -11.939 1.00 35.11 H new ATOM 0 HD12 LEU A 48 -0.108 2.823 -10.229 1.00 35.11 H new ATOM 0 HD13 LEU A 48 0.054 4.409 -11.020 1.00 35.11 H new ATOM 0 HD21 LEU A 48 2.640 3.701 -12.561 1.00 15.24 H new ATOM 0 HD22 LEU A 48 2.424 5.225 -11.667 1.00 15.24 H new ATOM 0 HD23 LEU A 48 3.809 4.168 -11.303 1.00 15.24 H new ATOM 732 N LEU A 49 3.247 4.451 -6.223 1.00 44.43 N ATOM 733 CA LEU A 49 3.307 5.149 -4.932 1.00 52.14 C ATOM 734 C LEU A 49 4.759 5.455 -4.544 1.00 12.43 C ATOM 735 O LEU A 49 5.101 6.598 -4.237 1.00 73.22 O ATOM 736 CB LEU A 49 2.633 4.323 -3.823 1.00 75.22 C ATOM 737 CG LEU A 49 1.097 4.219 -3.901 1.00 51.33 C ATOM 738 CD1 LEU A 49 0.652 3.495 -5.166 1.00 31.44 C ATOM 739 CD2 LEU A 49 0.543 3.523 -2.661 1.00 43.13 C ATOM 0 H LEU A 49 2.952 3.476 -6.162 1.00 44.43 H new ATOM 0 HA LEU A 49 2.766 6.089 -5.042 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.048 3.315 -3.844 1.00 75.22 H new ATOM 0 HB3 LEU A 49 2.900 4.757 -2.860 1.00 75.22 H new ATOM 0 HG LEU A 49 0.697 5.232 -3.940 1.00 51.33 H new ATOM 0 HD11 LEU A 49 -0.436 3.439 -5.189 1.00 31.44 H new ATOM 0 HD12 LEU A 49 1.006 4.040 -6.041 1.00 31.44 H new ATOM 0 HD13 LEU A 49 1.067 2.487 -5.174 1.00 31.44 H new ATOM 0 HD21 LEU A 49 -0.543 3.459 -2.734 1.00 43.13 H new ATOM 0 HD22 LEU A 49 0.962 2.519 -2.590 1.00 43.13 H new ATOM 0 HD23 LEU A 49 0.814 4.093 -1.772 1.00 43.13 H new ATOM 751 N SER A 50 5.611 4.430 -4.575 1.00 55.20 N ATOM 752 CA SER A 50 7.038 4.587 -4.241 1.00 44.23 C ATOM 753 C SER A 50 7.690 5.695 -5.087 1.00 63.43 C ATOM 754 O SER A 50 8.524 6.459 -4.600 1.00 11.15 O ATOM 755 CB SER A 50 7.788 3.263 -4.458 1.00 60.31 C ATOM 756 OG SER A 50 9.160 3.375 -4.105 1.00 50.23 O ATOM 0 H SER A 50 5.343 3.479 -4.828 1.00 55.20 H new ATOM 0 HA SER A 50 7.103 4.871 -3.191 1.00 44.23 H new ATOM 0 HB2 SER A 50 7.321 2.478 -3.863 1.00 60.31 H new ATOM 0 HB3 SER A 50 7.704 2.963 -5.503 1.00 60.31 H new ATOM 0 HG SER A 50 9.607 2.516 -4.253 1.00 50.23 H new ATOM 762 N SER A 51 7.294 5.768 -6.354 1.00 64.15 N ATOM 763 CA SER A 51 7.818 6.782 -7.281 1.00 0.13 C ATOM 764 C SER A 51 7.188 8.167 -7.041 1.00 2.20 C ATOM 765 O SER A 51 7.899 9.167 -6.913 1.00 25.24 O ATOM 766 CB SER A 51 7.566 6.343 -8.731 1.00 71.20 C ATOM 767 OG SER A 51 7.981 7.334 -9.655 1.00 42.21 O ATOM 0 H SER A 51 6.609 5.137 -6.770 1.00 64.15 H new ATOM 0 HA SER A 51 8.889 6.870 -7.099 1.00 0.13 H new ATOM 0 HB2 SER A 51 8.100 5.414 -8.929 1.00 71.20 H new ATOM 0 HB3 SER A 51 6.505 6.136 -8.870 1.00 71.20 H new ATOM 0 HG SER A 51 7.808 7.023 -10.568 1.00 42.21 H new ATOM 773 N ALA A 52 5.859 8.217 -6.952 1.00 53.14 N ATOM 774 CA ALA A 52 5.126 9.490 -6.839 1.00 22.03 C ATOM 775 C ALA A 52 5.434 10.239 -5.529 1.00 1.34 C ATOM 776 O ALA A 52 5.338 11.461 -5.470 1.00 11.35 O ATOM 777 CB ALA A 52 3.625 9.248 -6.969 1.00 64.44 C ATOM 0 H ALA A 52 5.261 7.391 -6.956 1.00 53.14 H new ATOM 0 HA ALA A 52 5.466 10.126 -7.656 1.00 22.03 H new ATOM 0 HB1 ALA A 52 3.095 10.197 -6.884 1.00 64.44 H new ATOM 0 HB2 ALA A 52 3.412 8.799 -7.939 1.00 64.44 H new ATOM 0 HB3 ALA A 52 3.295 8.575 -6.177 1.00 64.44 H new ATOM 783 N LEU A 53 5.806 9.506 -4.483 1.00 60.43 N ATOM 784 CA LEU A 53 6.136 10.123 -3.187 1.00 41.00 C ATOM 785 C LEU A 53 7.497 10.848 -3.213 1.00 55.34 C ATOM 786 O LEU A 53 7.858 11.537 -2.256 1.00 73.43 O ATOM 787 CB LEU A 53 6.113 9.063 -2.078 1.00 42.20 C ATOM 788 CG LEU A 53 4.724 8.479 -1.764 1.00 53.31 C ATOM 789 CD1 LEU A 53 4.830 7.327 -0.769 1.00 43.44 C ATOM 790 CD2 LEU A 53 3.789 9.566 -1.231 1.00 2.43 C ATOM 0 H LEU A 53 5.888 8.489 -4.500 1.00 60.43 H new ATOM 0 HA LEU A 53 5.377 10.878 -2.982 1.00 41.00 H new ATOM 0 HB2 LEU A 53 6.778 8.247 -2.362 1.00 42.20 H new ATOM 0 HB3 LEU A 53 6.520 9.503 -1.167 1.00 42.20 H new ATOM 0 HG LEU A 53 4.304 8.089 -2.691 1.00 53.31 H new ATOM 0 HD11 LEU A 53 3.835 6.931 -0.563 1.00 43.44 H new ATOM 0 HD12 LEU A 53 5.454 6.539 -1.190 1.00 43.44 H new ATOM 0 HD13 LEU A 53 5.276 7.687 0.158 1.00 43.44 H new ATOM 0 HD21 LEU A 53 2.813 9.132 -1.015 1.00 2.43 H new ATOM 0 HD22 LEU A 53 4.207 9.990 -0.318 1.00 2.43 H new ATOM 0 HD23 LEU A 53 3.680 10.351 -1.979 1.00 2.43 H new ATOM 802 N THR A 54 8.245 10.693 -4.305 1.00 30.14 N ATOM 803 CA THR A 54 9.540 11.376 -4.463 1.00 53.01 C ATOM 804 C THR A 54 9.397 12.645 -5.318 1.00 55.13 C ATOM 805 O THR A 54 9.890 13.715 -4.952 1.00 33.03 O ATOM 806 CB THR A 54 10.605 10.461 -5.117 1.00 22.05 C ATOM 807 OG1 THR A 54 10.292 10.232 -6.500 1.00 1.30 O ATOM 808 CG2 THR A 54 10.697 9.123 -4.389 1.00 13.53 C ATOM 0 H THR A 54 7.982 10.103 -5.095 1.00 30.14 H new ATOM 0 HA THR A 54 9.869 11.640 -3.458 1.00 53.01 H new ATOM 0 HB THR A 54 11.567 10.968 -5.045 1.00 22.05 H new ATOM 0 HG1 THR A 54 9.391 9.853 -6.573 1.00 1.30 H new ATOM 0 HG21 THR A 54 11.452 8.499 -4.868 1.00 13.53 H new ATOM 0 HG22 THR A 54 10.974 9.293 -3.349 1.00 13.53 H new ATOM 0 HG23 THR A 54 9.731 8.619 -4.430 1.00 13.53 H new ATOM 816 N GLU A 55 8.734 12.509 -6.468 1.00 54.13 N ATOM 817 CA GLU A 55 8.485 13.641 -7.373 1.00 23.20 C ATOM 818 C GLU A 55 7.287 14.484 -6.895 1.00 42.12 C ATOM 819 O GLU A 55 6.406 13.980 -6.197 1.00 1.14 O ATOM 820 CB GLU A 55 8.229 13.118 -8.799 1.00 33.44 C ATOM 821 CG GLU A 55 7.032 12.175 -8.906 1.00 11.40 C ATOM 822 CD GLU A 55 6.794 11.676 -10.324 1.00 11.54 C ATOM 823 OE1 GLU A 55 6.122 12.384 -11.104 1.00 32.31 O ATOM 824 OE2 GLU A 55 7.280 10.577 -10.669 1.00 44.54 O ATOM 0 H GLU A 55 8.356 11.621 -6.799 1.00 54.13 H new ATOM 0 HA GLU A 55 9.367 14.281 -7.373 1.00 23.20 H new ATOM 0 HB2 GLU A 55 8.071 13.967 -9.464 1.00 33.44 H new ATOM 0 HB3 GLU A 55 9.121 12.599 -9.151 1.00 33.44 H new ATOM 0 HG2 GLU A 55 7.189 11.321 -8.248 1.00 11.40 H new ATOM 0 HG3 GLU A 55 6.138 12.689 -8.553 1.00 11.40 H new ATOM 831 N PRO A 56 7.235 15.790 -7.240 1.00 43.14 N ATOM 832 CA PRO A 56 6.116 16.653 -6.824 1.00 24.02 C ATOM 833 C PRO A 56 4.772 16.222 -7.441 1.00 3.34 C ATOM 834 O PRO A 56 4.614 16.183 -8.665 1.00 22.31 O ATOM 835 CB PRO A 56 6.526 18.049 -7.336 1.00 71.42 C ATOM 836 CG PRO A 56 7.995 17.953 -7.605 1.00 23.34 C ATOM 837 CD PRO A 56 8.246 16.529 -8.015 1.00 31.35 C ATOM 0 HA PRO A 56 5.954 16.611 -5.747 1.00 24.02 H new ATOM 0 HB2 PRO A 56 5.977 18.314 -8.240 1.00 71.42 H new ATOM 0 HB3 PRO A 56 6.311 18.819 -6.595 1.00 71.42 H new ATOM 0 HG2 PRO A 56 8.294 18.645 -8.393 1.00 23.34 H new ATOM 0 HG3 PRO A 56 8.572 18.212 -6.717 1.00 23.34 H new ATOM 0 HD2 PRO A 56 8.118 16.387 -9.088 1.00 31.35 H new ATOM 0 HD3 PRO A 56 9.259 16.209 -7.770 1.00 31.35 H new ATOM 845 N VAL A 57 3.809 15.912 -6.572 1.00 75.23 N ATOM 846 CA VAL A 57 2.452 15.516 -6.975 1.00 22.02 C ATOM 847 C VAL A 57 1.410 16.073 -5.981 1.00 42.34 C ATOM 848 O VAL A 57 1.767 16.487 -4.875 1.00 72.44 O ATOM 849 CB VAL A 57 2.316 13.968 -7.047 1.00 43.20 C ATOM 850 CG1 VAL A 57 3.128 13.393 -8.207 1.00 44.44 C ATOM 851 CG2 VAL A 57 2.735 13.333 -5.724 1.00 13.41 C ATOM 0 H VAL A 57 3.946 15.928 -5.561 1.00 75.23 H new ATOM 0 HA VAL A 57 2.269 15.931 -7.966 1.00 22.02 H new ATOM 0 HB VAL A 57 1.268 13.730 -7.228 1.00 43.20 H new ATOM 0 HG11 VAL A 57 3.012 12.309 -8.230 1.00 44.44 H new ATOM 0 HG12 VAL A 57 2.771 13.816 -9.146 1.00 44.44 H new ATOM 0 HG13 VAL A 57 4.181 13.643 -8.073 1.00 44.44 H new ATOM 0 HG21 VAL A 57 2.634 12.250 -5.792 1.00 13.41 H new ATOM 0 HG22 VAL A 57 3.773 13.588 -5.511 1.00 13.41 H new ATOM 0 HG23 VAL A 57 2.098 13.707 -4.923 1.00 13.41 H new ATOM 861 N PRO A 58 0.108 16.091 -6.342 1.00 43.43 N ATOM 862 CA PRO A 58 -0.953 16.497 -5.414 1.00 20.15 C ATOM 863 C PRO A 58 -1.311 15.393 -4.402 1.00 24.40 C ATOM 864 O PRO A 58 -1.409 14.215 -4.759 1.00 14.14 O ATOM 865 CB PRO A 58 -2.161 16.801 -6.325 1.00 23.12 C ATOM 866 CG PRO A 58 -1.704 16.555 -7.732 1.00 40.11 C ATOM 867 CD PRO A 58 -0.436 15.742 -7.659 1.00 14.54 C ATOM 0 HA PRO A 58 -0.641 17.349 -4.809 1.00 20.15 H new ATOM 0 HB2 PRO A 58 -3.007 16.161 -6.074 1.00 23.12 H new ATOM 0 HB3 PRO A 58 -2.492 17.832 -6.199 1.00 23.12 H new ATOM 0 HG2 PRO A 58 -2.469 16.022 -8.296 1.00 40.11 H new ATOM 0 HG3 PRO A 58 -1.526 17.498 -8.248 1.00 40.11 H new ATOM 0 HD2 PRO A 58 -0.637 14.674 -7.742 1.00 14.54 H new ATOM 0 HD3 PRO A 58 0.255 16.000 -8.462 1.00 14.54 H new ATOM 875 N ASN A 59 -1.522 15.784 -3.144 1.00 24.12 N ATOM 876 CA ASN A 59 -1.916 14.844 -2.088 1.00 61.35 C ATOM 877 C ASN A 59 -3.183 14.063 -2.478 1.00 52.20 C ATOM 878 O ASN A 59 -3.315 12.880 -2.161 1.00 11.20 O ATOM 879 CB ASN A 59 -2.149 15.592 -0.767 1.00 30.50 C ATOM 880 CG ASN A 59 -0.918 16.339 -0.269 1.00 73.14 C ATOM 881 OD1 ASN A 59 -1.026 17.384 0.360 1.00 54.01 O ATOM 882 ND2 ASN A 59 0.260 15.810 -0.531 1.00 12.45 N ATOM 0 H ASN A 59 -1.427 16.749 -2.829 1.00 24.12 H new ATOM 0 HA ASN A 59 -1.102 14.130 -1.958 1.00 61.35 H new ATOM 0 HB2 ASN A 59 -2.966 16.301 -0.899 1.00 30.50 H new ATOM 0 HB3 ASN A 59 -2.465 14.879 -0.005 1.00 30.50 H new ATOM 0 HD21 ASN A 59 1.110 16.272 -0.208 1.00 12.45 H new ATOM 0 HD22 ASN A 59 0.322 14.938 -1.057 1.00 12.45 H new ATOM 889 N SER A 60 -4.104 14.730 -3.178 1.00 10.32 N ATOM 890 CA SER A 60 -5.350 14.093 -3.636 1.00 24.51 C ATOM 891 C SER A 60 -5.054 12.922 -4.584 1.00 62.24 C ATOM 892 O SER A 60 -5.624 11.834 -4.454 1.00 5.45 O ATOM 893 CB SER A 60 -6.253 15.117 -4.346 1.00 3.32 C ATOM 894 OG SER A 60 -6.580 16.205 -3.492 1.00 44.21 O ATOM 0 H SER A 60 -4.014 15.711 -3.442 1.00 10.32 H new ATOM 0 HA SER A 60 -5.868 13.709 -2.757 1.00 24.51 H new ATOM 0 HB2 SER A 60 -5.749 15.491 -5.237 1.00 3.32 H new ATOM 0 HB3 SER A 60 -7.168 14.627 -4.679 1.00 3.32 H new ATOM 0 HG SER A 60 -7.153 16.838 -3.973 1.00 44.21 H new ATOM 900 N GLN A 61 -4.153 13.154 -5.539 1.00 24.45 N ATOM 901 CA GLN A 61 -3.718 12.108 -6.471 1.00 52.13 C ATOM 902 C GLN A 61 -3.055 10.937 -5.725 1.00 23.14 C ATOM 903 O GLN A 61 -3.282 9.773 -6.055 1.00 14.54 O ATOM 904 CB GLN A 61 -2.749 12.695 -7.508 1.00 64.34 C ATOM 905 CG GLN A 61 -2.223 11.675 -8.515 1.00 71.52 C ATOM 906 CD GLN A 61 -1.285 12.285 -9.547 1.00 11.14 C ATOM 907 OE1 GLN A 61 -0.359 11.637 -10.021 1.00 53.14 O ATOM 908 NE2 GLN A 61 -1.530 13.526 -9.924 1.00 11.21 N ATOM 0 H GLN A 61 -3.708 14.059 -5.689 1.00 24.45 H new ATOM 0 HA GLN A 61 -4.600 11.723 -6.984 1.00 52.13 H new ATOM 0 HB2 GLN A 61 -3.253 13.496 -8.048 1.00 64.34 H new ATOM 0 HB3 GLN A 61 -1.904 13.144 -6.987 1.00 64.34 H new ATOM 0 HG2 GLN A 61 -1.700 10.882 -7.981 1.00 71.52 H new ATOM 0 HG3 GLN A 61 -3.066 11.211 -9.028 1.00 71.52 H new ATOM 0 HE21 GLN A 61 -2.308 14.040 -9.511 1.00 11.21 H new ATOM 0 HE22 GLN A 61 -0.941 13.971 -10.628 1.00 11.21 H new ATOM 917 N LEU A 62 -2.238 11.255 -4.720 1.00 53.34 N ATOM 918 CA LEU A 62 -1.588 10.229 -3.889 1.00 31.13 C ATOM 919 C LEU A 62 -2.620 9.306 -3.221 1.00 44.24 C ATOM 920 O LEU A 62 -2.484 8.083 -3.260 1.00 12.44 O ATOM 921 CB LEU A 62 -0.703 10.892 -2.822 1.00 75.35 C ATOM 922 CG LEU A 62 0.560 11.580 -3.361 1.00 54.52 C ATOM 923 CD1 LEU A 62 1.295 12.323 -2.247 1.00 61.11 C ATOM 924 CD2 LEU A 62 1.477 10.557 -4.032 1.00 74.14 C ATOM 0 H LEU A 62 -2.008 12.214 -4.458 1.00 53.34 H new ATOM 0 HA LEU A 62 -0.966 9.617 -4.542 1.00 31.13 H new ATOM 0 HB2 LEU A 62 -1.299 11.630 -2.285 1.00 75.35 H new ATOM 0 HB3 LEU A 62 -0.405 10.134 -2.097 1.00 75.35 H new ATOM 0 HG LEU A 62 0.259 12.314 -4.108 1.00 54.52 H new ATOM 0 HD11 LEU A 62 2.185 12.801 -2.655 1.00 61.11 H new ATOM 0 HD12 LEU A 62 0.638 13.082 -1.821 1.00 61.11 H new ATOM 0 HD13 LEU A 62 1.586 11.617 -1.469 1.00 61.11 H new ATOM 0 HD21 LEU A 62 2.368 11.059 -4.409 1.00 74.14 H new ATOM 0 HD22 LEU A 62 1.768 9.798 -3.306 1.00 74.14 H new ATOM 0 HD23 LEU A 62 0.950 10.083 -4.860 1.00 74.14 H new ATOM 936 N VAL A 63 -3.650 9.900 -2.616 1.00 1.23 N ATOM 937 CA VAL A 63 -4.715 9.126 -1.967 1.00 75.34 C ATOM 938 C VAL A 63 -5.417 8.189 -2.964 1.00 2.44 C ATOM 939 O VAL A 63 -5.579 6.997 -2.702 1.00 75.02 O ATOM 940 CB VAL A 63 -5.764 10.055 -1.302 1.00 50.23 C ATOM 941 CG1 VAL A 63 -6.880 9.244 -0.643 1.00 51.34 C ATOM 942 CG2 VAL A 63 -5.092 10.979 -0.287 1.00 73.25 C ATOM 0 H VAL A 63 -3.771 10.911 -2.561 1.00 1.23 H new ATOM 0 HA VAL A 63 -4.239 8.522 -1.194 1.00 75.34 H new ATOM 0 HB VAL A 63 -6.216 10.669 -2.081 1.00 50.23 H new ATOM 0 HG11 VAL A 63 -7.601 9.922 -0.185 1.00 51.34 H new ATOM 0 HG12 VAL A 63 -7.381 8.636 -1.396 1.00 51.34 H new ATOM 0 HG13 VAL A 63 -6.455 8.595 0.123 1.00 51.34 H new ATOM 0 HG21 VAL A 63 -5.842 11.624 0.170 1.00 73.25 H new ATOM 0 HG22 VAL A 63 -4.608 10.381 0.485 1.00 73.25 H new ATOM 0 HG23 VAL A 63 -4.345 11.592 -0.792 1.00 73.25 H new ATOM 952 N ASP A 64 -5.813 8.728 -4.117 1.00 23.03 N ATOM 953 CA ASP A 64 -6.469 7.928 -5.157 1.00 11.42 C ATOM 954 C ASP A 64 -5.560 6.776 -5.630 1.00 32.11 C ATOM 955 O ASP A 64 -5.990 5.624 -5.721 1.00 11.55 O ATOM 956 CB ASP A 64 -6.853 8.819 -6.344 1.00 13.34 C ATOM 957 CG ASP A 64 -7.623 8.054 -7.411 1.00 3.31 C ATOM 958 OD1 ASP A 64 -8.864 7.962 -7.303 1.00 4.25 O ATOM 959 OD2 ASP A 64 -6.992 7.538 -8.359 1.00 51.13 O ATOM 0 H ASP A 64 -5.692 9.712 -4.356 1.00 23.03 H new ATOM 0 HA ASP A 64 -7.372 7.492 -4.730 1.00 11.42 H new ATOM 0 HB2 ASP A 64 -7.458 9.653 -5.989 1.00 13.34 H new ATOM 0 HB3 ASP A 64 -5.951 9.244 -6.784 1.00 13.34 H new ATOM 964 N THR A 65 -4.302 7.098 -5.923 1.00 65.01 N ATOM 965 CA THR A 65 -3.325 6.094 -6.372 1.00 64.12 C ATOM 966 C THR A 65 -3.091 5.019 -5.296 1.00 2.02 C ATOM 967 O THR A 65 -2.878 3.851 -5.605 1.00 63.23 O ATOM 968 CB THR A 65 -1.970 6.749 -6.747 1.00 50.43 C ATOM 969 OG1 THR A 65 -2.176 7.796 -7.713 1.00 43.21 O ATOM 970 CG2 THR A 65 -0.995 5.724 -7.322 1.00 25.41 C ATOM 0 H THR A 65 -3.930 8.045 -5.859 1.00 65.01 H new ATOM 0 HA THR A 65 -3.746 5.621 -7.259 1.00 64.12 H new ATOM 0 HB THR A 65 -1.542 7.164 -5.834 1.00 50.43 H new ATOM 0 HG1 THR A 65 -2.571 8.576 -7.271 1.00 43.21 H new ATOM 0 HG21 THR A 65 -0.056 6.217 -7.574 1.00 25.41 H new ATOM 0 HG22 THR A 65 -0.809 4.944 -6.583 1.00 25.41 H new ATOM 0 HG23 THR A 65 -1.423 5.278 -8.220 1.00 25.41 H new ATOM 978 N GLY A 66 -3.136 5.424 -4.029 1.00 60.12 N ATOM 979 CA GLY A 66 -3.014 4.470 -2.931 1.00 71.24 C ATOM 980 C GLY A 66 -4.278 3.636 -2.720 1.00 62.11 C ATOM 981 O GLY A 66 -4.209 2.489 -2.280 1.00 1.22 O ATOM 0 H GLY A 66 -3.255 6.395 -3.740 1.00 60.12 H new ATOM 0 HA2 GLY A 66 -2.174 3.803 -3.128 1.00 71.24 H new ATOM 0 HA3 GLY A 66 -2.784 5.010 -2.012 1.00 71.24 H new ATOM 985 N HIS A 67 -5.429 4.217 -3.049 1.00 44.43 N ATOM 986 CA HIS A 67 -6.727 3.556 -2.872 1.00 21.42 C ATOM 987 C HIS A 67 -6.794 2.197 -3.597 1.00 4.25 C ATOM 988 O HIS A 67 -7.307 1.217 -3.048 1.00 1.33 O ATOM 989 CB HIS A 67 -7.847 4.475 -3.375 1.00 61.25 C ATOM 990 CG HIS A 67 -9.221 3.892 -3.229 1.00 25.14 C ATOM 991 ND1 HIS A 67 -9.869 3.224 -4.246 1.00 0.31 N ATOM 992 CD2 HIS A 67 -10.072 3.882 -2.179 1.00 24.43 C ATOM 993 CE1 HIS A 67 -11.055 2.833 -3.829 1.00 14.34 C ATOM 994 NE2 HIS A 67 -11.207 3.217 -2.579 1.00 61.21 N ATOM 0 H HIS A 67 -5.492 5.155 -3.444 1.00 44.43 H new ATOM 0 HA HIS A 67 -6.855 3.361 -1.807 1.00 21.42 H new ATOM 0 HB2 HIS A 67 -7.803 5.418 -2.830 1.00 61.25 H new ATOM 0 HB3 HIS A 67 -7.670 4.706 -4.426 1.00 61.25 H new ATOM 0 HD2 HIS A 67 -9.894 4.316 -1.206 1.00 24.43 H new ATOM 0 HE1 HIS A 67 -11.781 2.289 -4.414 1.00 14.34 H new ATOM 0 HE2 HIS A 67 -12.031 3.049 -2.002 1.00 61.21 H new ATOM 1003 N GLN A 68 -6.276 2.139 -4.826 1.00 24.23 N ATOM 1004 CA GLN A 68 -6.295 0.895 -5.615 1.00 34.35 C ATOM 1005 C GLN A 68 -5.493 -0.231 -4.933 1.00 61.42 C ATOM 1006 O GLN A 68 -5.810 -1.411 -5.091 1.00 12.41 O ATOM 1007 CB GLN A 68 -5.759 1.140 -7.036 1.00 71.31 C ATOM 1008 CG GLN A 68 -4.340 1.693 -7.072 1.00 60.31 C ATOM 1009 CD GLN A 68 -3.809 1.915 -8.483 1.00 23.04 C ATOM 1010 OE1 GLN A 68 -3.020 2.821 -8.727 1.00 52.42 O ATOM 1011 NE2 GLN A 68 -4.225 1.091 -9.426 1.00 51.13 N ATOM 0 H GLN A 68 -5.840 2.931 -5.298 1.00 24.23 H new ATOM 0 HA GLN A 68 -7.334 0.573 -5.679 1.00 34.35 H new ATOM 0 HB2 GLN A 68 -5.788 0.203 -7.591 1.00 71.31 H new ATOM 0 HB3 GLN A 68 -6.423 1.835 -7.550 1.00 71.31 H new ATOM 0 HG2 GLN A 68 -4.313 2.638 -6.529 1.00 60.31 H new ATOM 0 HG3 GLN A 68 -3.677 1.005 -6.547 1.00 60.31 H new ATOM 0 HE21 GLN A 68 -4.882 0.345 -9.198 1.00 51.13 H new ATOM 0 HE22 GLN A 68 -3.890 1.200 -10.383 1.00 51.13 H new ATOM 1020 N LEU A 69 -4.468 0.138 -4.164 1.00 2.52 N ATOM 1021 CA LEU A 69 -3.650 -0.849 -3.442 1.00 11.40 C ATOM 1022 C LEU A 69 -4.478 -1.631 -2.414 1.00 45.44 C ATOM 1023 O LEU A 69 -4.232 -2.812 -2.184 1.00 31.13 O ATOM 1024 CB LEU A 69 -2.447 -0.171 -2.762 1.00 23.12 C ATOM 1025 CG LEU A 69 -1.208 0.023 -3.656 1.00 62.24 C ATOM 1026 CD1 LEU A 69 -0.631 -1.327 -4.079 1.00 24.22 C ATOM 1027 CD2 LEU A 69 -1.549 0.870 -4.879 1.00 22.51 C ATOM 0 H LEU A 69 -4.182 1.107 -4.023 1.00 2.52 H new ATOM 0 HA LEU A 69 -3.278 -1.562 -4.178 1.00 11.40 H new ATOM 0 HB2 LEU A 69 -2.763 0.804 -2.391 1.00 23.12 H new ATOM 0 HB3 LEU A 69 -2.159 -0.765 -1.894 1.00 23.12 H new ATOM 0 HG LEU A 69 -0.451 0.552 -3.077 1.00 62.24 H new ATOM 0 HD11 LEU A 69 0.243 -1.167 -4.710 1.00 24.22 H new ATOM 0 HD12 LEU A 69 -0.341 -1.892 -3.193 1.00 24.22 H new ATOM 0 HD13 LEU A 69 -1.383 -1.886 -4.636 1.00 24.22 H new ATOM 0 HD21 LEU A 69 -0.659 0.994 -5.496 1.00 22.51 H new ATOM 0 HD22 LEU A 69 -2.327 0.374 -5.460 1.00 22.51 H new ATOM 0 HD23 LEU A 69 -1.905 1.848 -4.556 1.00 22.51 H new ATOM 1039 N LEU A 70 -5.461 -0.972 -1.805 1.00 5.11 N ATOM 1040 CA LEU A 70 -6.374 -1.645 -0.869 1.00 2.11 C ATOM 1041 C LEU A 70 -7.151 -2.767 -1.569 1.00 41.41 C ATOM 1042 O LEU A 70 -7.258 -3.878 -1.048 1.00 1.32 O ATOM 1043 CB LEU A 70 -7.344 -0.634 -0.229 1.00 53.32 C ATOM 1044 CG LEU A 70 -6.793 0.139 0.985 1.00 14.21 C ATOM 1045 CD1 LEU A 70 -6.502 -0.815 2.142 1.00 32.24 C ATOM 1046 CD2 LEU A 70 -5.541 0.929 0.613 1.00 44.25 C ATOM 0 H LEU A 70 -5.650 0.022 -1.938 1.00 5.11 H new ATOM 0 HA LEU A 70 -5.772 -2.092 -0.078 1.00 2.11 H new ATOM 0 HB2 LEU A 70 -7.644 0.086 -0.990 1.00 53.32 H new ATOM 0 HB3 LEU A 70 -8.244 -1.166 0.079 1.00 53.32 H new ATOM 0 HG LEU A 70 -7.555 0.849 1.305 1.00 14.21 H new ATOM 0 HD11 LEU A 70 -6.114 -0.251 2.990 1.00 32.24 H new ATOM 0 HD12 LEU A 70 -7.421 -1.323 2.434 1.00 32.24 H new ATOM 0 HD13 LEU A 70 -5.763 -1.553 1.828 1.00 32.24 H new ATOM 0 HD21 LEU A 70 -5.175 1.464 1.489 1.00 44.25 H new ATOM 0 HD22 LEU A 70 -4.771 0.244 0.258 1.00 44.25 H new ATOM 0 HD23 LEU A 70 -5.782 1.644 -0.174 1.00 44.25 H new ATOM 1058 N ASP A 71 -7.673 -2.473 -2.756 1.00 45.53 N ATOM 1059 CA ASP A 71 -8.410 -3.462 -3.544 1.00 5.01 C ATOM 1060 C ASP A 71 -7.506 -4.653 -3.914 1.00 75.15 C ATOM 1061 O ASP A 71 -7.835 -5.813 -3.643 1.00 21.25 O ATOM 1062 CB ASP A 71 -8.967 -2.803 -4.811 1.00 52.13 C ATOM 1063 CG ASP A 71 -9.980 -3.678 -5.529 1.00 13.51 C ATOM 1064 OD1 ASP A 71 -9.572 -4.595 -6.273 1.00 65.25 O ATOM 1065 OD2 ASP A 71 -11.196 -3.453 -5.353 1.00 55.43 O ATOM 0 H ASP A 71 -7.600 -1.556 -3.196 1.00 45.53 H new ATOM 0 HA ASP A 71 -9.237 -3.840 -2.943 1.00 5.01 H new ATOM 0 HB2 ASP A 71 -9.435 -1.854 -4.547 1.00 52.13 H new ATOM 0 HB3 ASP A 71 -8.144 -2.575 -5.489 1.00 52.13 H new ATOM 1070 N TYR A 72 -6.361 -4.348 -4.527 1.00 20.32 N ATOM 1071 CA TYR A 72 -5.388 -5.374 -4.926 1.00 24.12 C ATOM 1072 C TYR A 72 -4.908 -6.213 -3.728 1.00 74.33 C ATOM 1073 O TYR A 72 -4.859 -7.439 -3.803 1.00 23.42 O ATOM 1074 CB TYR A 72 -4.188 -4.727 -5.641 1.00 2.34 C ATOM 1075 CG TYR A 72 -4.471 -4.350 -7.089 1.00 50.12 C ATOM 1076 CD1 TYR A 72 -5.403 -3.367 -7.408 1.00 73.33 C ATOM 1077 CD2 TYR A 72 -3.814 -4.990 -8.139 1.00 33.44 C ATOM 1078 CE1 TYR A 72 -5.673 -3.037 -8.723 1.00 2.01 C ATOM 1079 CE2 TYR A 72 -4.078 -4.662 -9.455 1.00 22.13 C ATOM 1080 CZ TYR A 72 -5.009 -3.687 -9.742 1.00 23.11 C ATOM 1081 OH TYR A 72 -5.282 -3.372 -11.057 1.00 33.40 O ATOM 0 H TYR A 72 -6.081 -3.395 -4.760 1.00 20.32 H new ATOM 0 HA TYR A 72 -5.894 -6.050 -5.616 1.00 24.12 H new ATOM 0 HB2 TYR A 72 -3.889 -3.833 -5.094 1.00 2.34 H new ATOM 0 HB3 TYR A 72 -3.344 -5.416 -5.612 1.00 2.34 H new ATOM 0 HD1 TYR A 72 -5.925 -2.853 -6.614 1.00 73.33 H new ATOM 0 HD2 TYR A 72 -3.085 -5.756 -7.920 1.00 33.44 H new ATOM 0 HE1 TYR A 72 -6.401 -2.273 -8.951 1.00 2.01 H new ATOM 0 HE2 TYR A 72 -3.557 -5.167 -10.255 1.00 22.13 H new ATOM 0 HH TYR A 72 -4.581 -3.741 -11.634 1.00 33.40 H new ATOM 1091 N CYS A 73 -4.568 -5.549 -2.627 1.00 45.44 N ATOM 1092 CA CYS A 73 -4.077 -6.242 -1.424 1.00 43.25 C ATOM 1093 C CYS A 73 -5.162 -7.105 -0.762 1.00 52.12 C ATOM 1094 O CYS A 73 -4.924 -8.270 -0.430 1.00 70.51 O ATOM 1095 CB CYS A 73 -3.528 -5.232 -0.409 1.00 11.22 C ATOM 1096 SG CYS A 73 -2.061 -4.339 -0.977 1.00 63.10 S ATOM 0 H CYS A 73 -4.621 -4.534 -2.536 1.00 45.44 H new ATOM 0 HA CYS A 73 -3.277 -6.908 -1.748 1.00 43.25 H new ATOM 0 HB2 CYS A 73 -4.310 -4.511 -0.171 1.00 11.22 H new ATOM 0 HB3 CYS A 73 -3.286 -5.757 0.515 1.00 11.22 H new ATOM 0 HG CYS A 73 -2.424 -3.335 -1.719 1.00 63.10 H new ATOM 1102 N SER A 74 -6.351 -6.535 -0.575 1.00 45.30 N ATOM 1103 CA SER A 74 -7.467 -7.251 0.067 1.00 74.31 C ATOM 1104 C SER A 74 -7.843 -8.520 -0.711 1.00 50.20 C ATOM 1105 O SER A 74 -8.364 -9.477 -0.136 1.00 14.32 O ATOM 1106 CB SER A 74 -8.698 -6.342 0.192 1.00 12.14 C ATOM 1107 OG SER A 74 -9.161 -5.927 -1.082 1.00 2.22 O ATOM 0 H SER A 74 -6.573 -5.580 -0.857 1.00 45.30 H new ATOM 0 HA SER A 74 -7.133 -7.542 1.063 1.00 74.31 H new ATOM 0 HB2 SER A 74 -9.493 -6.873 0.716 1.00 12.14 H new ATOM 0 HB3 SER A 74 -8.448 -5.468 0.793 1.00 12.14 H new ATOM 0 HG SER A 74 -8.625 -5.168 -1.394 1.00 2.22 H new ATOM 1113 N GLY A 75 -7.595 -8.513 -2.020 1.00 70.11 N ATOM 1114 CA GLY A 75 -7.839 -9.695 -2.840 1.00 4.31 C ATOM 1115 C GLY A 75 -6.641 -10.648 -2.903 1.00 22.31 C ATOM 1116 O GLY A 75 -6.768 -11.836 -2.600 1.00 3.53 O ATOM 0 H GLY A 75 -7.229 -7.709 -2.530 1.00 70.11 H new ATOM 0 HA2 GLY A 75 -8.701 -10.232 -2.444 1.00 4.31 H new ATOM 0 HA3 GLY A 75 -8.097 -9.380 -3.851 1.00 4.31 H new ATOM 1120 N TYR A 76 -5.472 -10.121 -3.279 1.00 4.25 N ATOM 1121 CA TYR A 76 -4.263 -10.941 -3.484 1.00 21.33 C ATOM 1122 C TYR A 76 -3.887 -11.768 -2.243 1.00 11.21 C ATOM 1123 O TYR A 76 -3.292 -12.841 -2.366 1.00 44.32 O ATOM 1124 CB TYR A 76 -3.073 -10.054 -3.884 1.00 73.21 C ATOM 1125 CG TYR A 76 -1.807 -10.835 -4.202 1.00 10.42 C ATOM 1126 CD1 TYR A 76 -1.645 -11.460 -5.436 1.00 13.02 C ATOM 1127 CD2 TYR A 76 -0.782 -10.957 -3.268 1.00 55.31 C ATOM 1128 CE1 TYR A 76 -0.501 -12.180 -5.730 1.00 33.20 C ATOM 1129 CE2 TYR A 76 0.363 -11.676 -3.554 1.00 20.45 C ATOM 1130 CZ TYR A 76 0.500 -12.285 -4.784 1.00 32.11 C ATOM 1131 OH TYR A 76 1.640 -13.006 -5.066 1.00 43.31 O ATOM 0 H TYR A 76 -5.332 -9.125 -3.450 1.00 4.25 H new ATOM 0 HA TYR A 76 -4.496 -11.639 -4.288 1.00 21.33 H new ATOM 0 HB2 TYR A 76 -3.351 -9.460 -4.754 1.00 73.21 H new ATOM 0 HB3 TYR A 76 -2.864 -9.355 -3.074 1.00 73.21 H new ATOM 0 HD1 TYR A 76 -2.427 -11.381 -6.177 1.00 13.02 H new ATOM 0 HD2 TYR A 76 -0.883 -10.482 -2.304 1.00 55.31 H new ATOM 0 HE1 TYR A 76 -0.391 -12.657 -6.693 1.00 33.20 H new ATOM 0 HE2 TYR A 76 1.148 -11.761 -2.817 1.00 20.45 H new ATOM 0 HH TYR A 76 2.243 -12.979 -4.294 1.00 43.31 H new ATOM 1141 N VAL A 77 -4.227 -11.272 -1.054 1.00 41.11 N ATOM 1142 CA VAL A 77 -3.888 -11.969 0.192 1.00 53.25 C ATOM 1143 C VAL A 77 -4.427 -13.413 0.195 1.00 33.13 C ATOM 1144 O VAL A 77 -3.841 -14.304 0.812 1.00 5.52 O ATOM 1145 CB VAL A 77 -4.420 -11.212 1.438 1.00 64.21 C ATOM 1146 CG1 VAL A 77 -5.943 -11.295 1.536 1.00 31.25 C ATOM 1147 CG2 VAL A 77 -3.766 -11.738 2.714 1.00 54.14 C ATOM 0 H VAL A 77 -4.734 -10.396 -0.924 1.00 41.11 H new ATOM 0 HA VAL A 77 -2.800 -12.000 0.244 1.00 53.25 H new ATOM 0 HB VAL A 77 -4.153 -10.161 1.323 1.00 64.21 H new ATOM 0 HG11 VAL A 77 -6.281 -10.754 2.420 1.00 31.25 H new ATOM 0 HG12 VAL A 77 -6.390 -10.851 0.646 1.00 31.25 H new ATOM 0 HG13 VAL A 77 -6.246 -12.339 1.612 1.00 31.25 H new ATOM 0 HG21 VAL A 77 -4.155 -11.192 3.574 1.00 54.14 H new ATOM 0 HG22 VAL A 77 -3.989 -12.799 2.827 1.00 54.14 H new ATOM 0 HG23 VAL A 77 -2.687 -11.599 2.654 1.00 54.14 H new ATOM 1157 N ASP A 78 -5.527 -13.640 -0.527 1.00 51.41 N ATOM 1158 CA ASP A 78 -6.139 -14.970 -0.620 1.00 25.53 C ATOM 1159 C ASP A 78 -5.217 -15.952 -1.373 1.00 22.40 C ATOM 1160 O ASP A 78 -5.222 -17.156 -1.110 1.00 33.13 O ATOM 1161 CB ASP A 78 -7.508 -14.864 -1.315 1.00 23.32 C ATOM 1162 CG ASP A 78 -8.304 -16.162 -1.266 1.00 63.45 C ATOM 1163 OD1 ASP A 78 -8.828 -16.503 -0.184 1.00 1.43 O ATOM 1164 OD2 ASP A 78 -8.432 -16.833 -2.311 1.00 11.20 O ATOM 0 H ASP A 78 -6.014 -12.918 -1.058 1.00 51.41 H new ATOM 0 HA ASP A 78 -6.283 -15.360 0.388 1.00 25.53 H new ATOM 0 HB2 ASP A 78 -8.088 -14.071 -0.843 1.00 23.32 H new ATOM 0 HB3 ASP A 78 -7.359 -14.575 -2.355 1.00 23.32 H new ATOM 1169 N CYS A 79 -4.412 -15.416 -2.294 1.00 10.02 N ATOM 1170 CA CYS A 79 -3.477 -16.223 -3.097 1.00 12.22 C ATOM 1171 C CYS A 79 -2.171 -16.520 -2.333 1.00 5.14 C ATOM 1172 O CYS A 79 -1.345 -17.317 -2.784 1.00 51.21 O ATOM 1173 CB CYS A 79 -3.152 -15.498 -4.415 1.00 42.43 C ATOM 1174 SG CYS A 79 -4.605 -15.062 -5.407 1.00 35.10 S ATOM 0 H CYS A 79 -4.386 -14.419 -2.506 1.00 10.02 H new ATOM 0 HA CYS A 79 -3.965 -17.174 -3.309 1.00 12.22 H new ATOM 0 HB2 CYS A 79 -2.596 -14.588 -4.188 1.00 42.43 H new ATOM 0 HB3 CYS A 79 -2.496 -16.132 -5.012 1.00 42.43 H new ATOM 0 HG CYS A 79 -4.224 -14.455 -6.492 1.00 35.10 H new ATOM 1180 N ILE A 80 -1.979 -15.869 -1.183 1.00 63.55 N ATOM 1181 CA ILE A 80 -0.784 -16.093 -0.356 1.00 34.21 C ATOM 1182 C ILE A 80 -0.928 -17.361 0.512 1.00 34.02 C ATOM 1183 O ILE A 80 -1.788 -17.421 1.397 1.00 35.23 O ATOM 1184 CB ILE A 80 -0.495 -14.880 0.568 1.00 41.14 C ATOM 1185 CG1 ILE A 80 -0.346 -13.590 -0.260 1.00 41.32 C ATOM 1186 CG2 ILE A 80 0.762 -15.130 1.405 1.00 21.05 C ATOM 1187 CD1 ILE A 80 -0.081 -12.355 0.578 1.00 13.00 C ATOM 0 H ILE A 80 -2.632 -15.184 -0.802 1.00 63.55 H new ATOM 0 HA ILE A 80 0.050 -16.223 -1.046 1.00 34.21 H new ATOM 0 HB ILE A 80 -1.340 -14.756 1.245 1.00 41.14 H new ATOM 0 HG12 ILE A 80 0.470 -13.718 -0.971 1.00 41.32 H new ATOM 0 HG13 ILE A 80 -1.255 -13.435 -0.842 1.00 41.32 H new ATOM 0 HG21 ILE A 80 0.949 -14.269 2.047 1.00 21.05 H new ATOM 0 HG22 ILE A 80 0.618 -16.017 2.021 1.00 21.05 H new ATOM 0 HG23 ILE A 80 1.615 -15.282 0.744 1.00 21.05 H new ATOM 0 HD11 ILE A 80 0.012 -11.486 -0.074 1.00 13.00 H new ATOM 0 HD12 ILE A 80 -0.908 -12.201 1.271 1.00 13.00 H new ATOM 0 HD13 ILE A 80 0.844 -12.488 1.140 1.00 13.00 H new ATOM 1199 N PRO A 81 -0.081 -18.387 0.277 1.00 72.33 N ATOM 1200 CA PRO A 81 -0.157 -19.667 1.006 1.00 14.34 C ATOM 1201 C PRO A 81 0.448 -19.614 2.424 1.00 4.00 C ATOM 1202 O PRO A 81 -0.085 -20.211 3.361 1.00 63.20 O ATOM 1203 CB PRO A 81 0.649 -20.614 0.108 1.00 14.32 C ATOM 1204 CG PRO A 81 1.664 -19.736 -0.550 1.00 3.12 C ATOM 1205 CD PRO A 81 1.006 -18.389 -0.729 1.00 14.42 C ATOM 0 HA PRO A 81 -1.190 -19.970 1.177 1.00 14.34 H new ATOM 0 HB2 PRO A 81 1.125 -21.403 0.690 1.00 14.32 H new ATOM 0 HB3 PRO A 81 0.010 -21.102 -0.628 1.00 14.32 H new ATOM 0 HG2 PRO A 81 2.561 -19.652 0.063 1.00 3.12 H new ATOM 0 HG3 PRO A 81 1.972 -20.149 -1.511 1.00 3.12 H new ATOM 0 HD2 PRO A 81 1.710 -17.575 -0.558 1.00 14.42 H new ATOM 0 HD3 PRO A 81 0.616 -18.266 -1.739 1.00 14.42 H new ATOM 1213 N GLN A 82 1.562 -18.900 2.579 1.00 24.43 N ATOM 1214 CA GLN A 82 2.276 -18.843 3.861 1.00 33.31 C ATOM 1215 C GLN A 82 1.617 -17.857 4.835 1.00 61.31 C ATOM 1216 O GLN A 82 1.562 -16.658 4.572 1.00 71.45 O ATOM 1217 CB GLN A 82 3.742 -18.453 3.627 1.00 40.34 C ATOM 1218 CG GLN A 82 4.497 -19.440 2.746 1.00 55.55 C ATOM 1219 CD GLN A 82 5.947 -19.047 2.525 1.00 63.34 C ATOM 1220 OE1 GLN A 82 6.831 -19.431 3.284 1.00 24.41 O ATOM 1221 NE2 GLN A 82 6.204 -18.284 1.482 1.00 23.21 N ATOM 0 H GLN A 82 1.993 -18.352 1.835 1.00 24.43 H new ATOM 0 HA GLN A 82 2.230 -19.834 4.312 1.00 33.31 H new ATOM 0 HB2 GLN A 82 3.779 -17.465 3.167 1.00 40.34 H new ATOM 0 HB3 GLN A 82 4.248 -18.376 4.589 1.00 40.34 H new ATOM 0 HG2 GLN A 82 4.460 -20.429 3.203 1.00 55.55 H new ATOM 0 HG3 GLN A 82 3.995 -19.515 1.781 1.00 55.55 H new ATOM 0 HE21 GLN A 82 5.445 -17.983 0.871 1.00 23.21 H new ATOM 0 HE22 GLN A 82 7.162 -17.995 1.285 1.00 23.21 H new ATOM 1230 N THR A 83 1.135 -18.373 5.966 1.00 61.32 N ATOM 1231 CA THR A 83 0.463 -17.545 6.984 1.00 52.11 C ATOM 1232 C THR A 83 1.370 -16.408 7.485 1.00 4.05 C ATOM 1233 O THR A 83 0.897 -15.313 7.786 1.00 24.24 O ATOM 1234 CB THR A 83 0.001 -18.392 8.198 1.00 64.24 C ATOM 1235 OG1 THR A 83 -0.807 -19.494 7.746 1.00 75.12 O ATOM 1236 CG2 THR A 83 -0.797 -17.553 9.198 1.00 62.45 C ATOM 0 H THR A 83 1.195 -19.362 6.206 1.00 61.32 H new ATOM 0 HA THR A 83 -0.411 -17.114 6.495 1.00 52.11 H new ATOM 0 HB THR A 83 0.893 -18.766 8.701 1.00 64.24 H new ATOM 0 HG1 THR A 83 -1.095 -20.027 8.517 1.00 75.12 H new ATOM 0 HG21 THR A 83 -1.104 -18.180 10.035 1.00 62.45 H new ATOM 0 HG22 THR A 83 -0.176 -16.736 9.565 1.00 62.45 H new ATOM 0 HG23 THR A 83 -1.680 -17.145 8.707 1.00 62.45 H new ATOM 1244 N ARG A 84 2.674 -16.674 7.568 1.00 63.33 N ATOM 1245 CA ARG A 84 3.653 -15.644 7.945 1.00 21.04 C ATOM 1246 C ARG A 84 3.575 -14.427 7.007 1.00 64.24 C ATOM 1247 O ARG A 84 3.373 -13.294 7.452 1.00 14.02 O ATOM 1248 CB ARG A 84 5.075 -16.224 7.932 1.00 41.24 C ATOM 1249 CG ARG A 84 5.328 -17.258 9.025 1.00 15.23 C ATOM 1250 CD ARG A 84 5.120 -16.664 10.417 1.00 22.35 C ATOM 1251 NE ARG A 84 5.515 -17.587 11.477 1.00 74.01 N ATOM 1252 CZ ARG A 84 5.629 -17.252 12.732 1.00 21.04 C ATOM 1253 NH1 ARG A 84 5.314 -16.059 13.127 1.00 5.13 N ATOM 1254 NH2 ARG A 84 6.033 -18.122 13.603 1.00 0.31 N ATOM 0 H ARG A 84 3.080 -17.591 7.380 1.00 63.33 H new ATOM 0 HA ARG A 84 3.411 -15.312 8.955 1.00 21.04 H new ATOM 0 HB2 ARG A 84 5.262 -16.682 6.961 1.00 41.24 H new ATOM 0 HB3 ARG A 84 5.791 -15.409 8.043 1.00 41.24 H new ATOM 0 HG2 ARG A 84 4.658 -18.107 8.887 1.00 15.23 H new ATOM 0 HG3 ARG A 84 6.346 -17.638 8.939 1.00 15.23 H new ATOM 0 HD2 ARG A 84 5.696 -15.743 10.507 1.00 22.35 H new ATOM 0 HD3 ARG A 84 4.071 -16.397 10.543 1.00 22.35 H new ATOM 0 HE ARG A 84 5.714 -18.554 11.220 1.00 74.01 H new ATOM 0 HH11 ARG A 84 4.973 -15.372 12.454 1.00 5.13 H new ATOM 0 HH12 ARG A 84 5.407 -15.806 14.111 1.00 5.13 H new ATOM 0 HH21 ARG A 84 6.263 -19.071 13.307 1.00 0.31 H new ATOM 0 HH22 ARG A 84 6.122 -17.858 14.584 1.00 0.31 H new ATOM 1268 N ASN A 85 3.743 -14.675 5.711 1.00 14.51 N ATOM 1269 CA ASN A 85 3.635 -13.628 4.691 1.00 21.31 C ATOM 1270 C ASN A 85 2.220 -13.028 4.666 1.00 62.11 C ATOM 1271 O ASN A 85 2.045 -11.818 4.556 1.00 73.15 O ATOM 1272 CB ASN A 85 3.973 -14.209 3.308 1.00 45.11 C ATOM 1273 CG ASN A 85 5.356 -14.839 3.253 1.00 64.44 C ATOM 1274 OD1 ASN A 85 5.890 -15.296 4.258 1.00 51.33 O ATOM 1275 ND2 ASN A 85 5.940 -14.886 2.077 1.00 31.14 N ATOM 0 H ASN A 85 3.956 -15.600 5.337 1.00 14.51 H new ATOM 0 HA ASN A 85 4.342 -12.836 4.939 1.00 21.31 H new ATOM 0 HB2 ASN A 85 3.227 -14.958 3.042 1.00 45.11 H new ATOM 0 HB3 ASN A 85 3.910 -13.417 2.562 1.00 45.11 H new ATOM 0 HD21 ASN A 85 6.862 -15.311 1.982 1.00 31.14 H new ATOM 0 HD22 ASN A 85 5.471 -14.497 1.259 1.00 31.14 H new ATOM 1282 N LYS A 86 1.223 -13.900 4.784 1.00 4.53 N ATOM 1283 CA LYS A 86 -0.190 -13.511 4.729 1.00 35.40 C ATOM 1284 C LYS A 86 -0.540 -12.497 5.834 1.00 72.41 C ATOM 1285 O LYS A 86 -1.149 -11.458 5.573 1.00 35.02 O ATOM 1286 CB LYS A 86 -1.061 -14.769 4.876 1.00 52.14 C ATOM 1287 CG LYS A 86 -2.401 -14.712 4.167 1.00 21.42 C ATOM 1288 CD LYS A 86 -3.269 -15.894 4.576 1.00 14.45 C ATOM 1289 CE LYS A 86 -4.541 -15.976 3.762 1.00 4.04 C ATOM 1290 NZ LYS A 86 -4.280 -16.357 2.347 1.00 14.43 N ATOM 0 H LYS A 86 1.369 -14.900 4.921 1.00 4.53 H new ATOM 0 HA LYS A 86 -0.381 -13.031 3.769 1.00 35.40 H new ATOM 0 HB2 LYS A 86 -0.503 -15.625 4.496 1.00 52.14 H new ATOM 0 HB3 LYS A 86 -1.236 -14.948 5.937 1.00 52.14 H new ATOM 0 HG2 LYS A 86 -2.909 -13.779 4.410 1.00 21.42 H new ATOM 0 HG3 LYS A 86 -2.249 -14.721 3.088 1.00 21.42 H new ATOM 0 HD2 LYS A 86 -2.703 -16.818 4.456 1.00 14.45 H new ATOM 0 HD3 LYS A 86 -3.521 -15.809 5.633 1.00 14.45 H new ATOM 0 HE2 LYS A 86 -5.213 -16.705 4.215 1.00 4.04 H new ATOM 0 HE3 LYS A 86 -5.050 -15.013 3.789 1.00 4.04 H new ATOM 0 HZ1 LYS A 86 -4.478 -15.546 1.727 1.00 14.43 H new ATOM 0 HZ2 LYS A 86 -3.284 -16.639 2.241 1.00 14.43 H new ATOM 0 HZ3 LYS A 86 -4.895 -17.153 2.083 1.00 14.43 H new ATOM 1304 N PHE A 87 -0.147 -12.812 7.070 1.00 4.25 N ATOM 1305 CA PHE A 87 -0.415 -11.941 8.222 1.00 34.45 C ATOM 1306 C PHE A 87 0.368 -10.623 8.115 1.00 51.00 C ATOM 1307 O PHE A 87 -0.199 -9.539 8.267 1.00 2.34 O ATOM 1308 CB PHE A 87 -0.053 -12.661 9.530 1.00 0.21 C ATOM 1309 CG PHE A 87 -0.436 -11.889 10.771 1.00 71.42 C ATOM 1310 CD1 PHE A 87 -1.716 -11.989 11.299 1.00 53.32 C ATOM 1311 CD2 PHE A 87 0.480 -11.056 11.402 1.00 25.04 C ATOM 1312 CE1 PHE A 87 -2.073 -11.279 12.429 1.00 61.34 C ATOM 1313 CE2 PHE A 87 0.126 -10.342 12.531 1.00 23.42 C ATOM 1314 CZ PHE A 87 -1.153 -10.452 13.044 1.00 1.23 C ATOM 0 H PHE A 87 0.360 -13.666 7.302 1.00 4.25 H new ATOM 0 HA PHE A 87 -1.480 -11.707 8.225 1.00 34.45 H new ATOM 0 HB2 PHE A 87 -0.547 -13.632 9.549 1.00 0.21 H new ATOM 0 HB3 PHE A 87 1.020 -12.849 9.546 1.00 0.21 H new ATOM 0 HD1 PHE A 87 -2.442 -12.630 10.820 1.00 53.32 H new ATOM 0 HD2 PHE A 87 1.480 -10.966 11.005 1.00 25.04 H new ATOM 0 HE1 PHE A 87 -3.071 -11.370 12.832 1.00 61.34 H new ATOM 0 HE2 PHE A 87 0.848 -9.699 13.012 1.00 23.42 H new ATOM 0 HZ PHE A 87 -1.433 -9.892 13.924 1.00 1.23 H new ATOM 1324 N ALA A 88 1.672 -10.728 7.851 1.00 45.14 N ATOM 1325 CA ALA A 88 2.529 -9.548 7.677 1.00 63.52 C ATOM 1326 C ALA A 88 1.991 -8.628 6.568 1.00 63.20 C ATOM 1327 O ALA A 88 2.040 -7.400 6.673 1.00 52.21 O ATOM 1328 CB ALA A 88 3.960 -9.980 7.367 1.00 51.11 C ATOM 0 H ALA A 88 2.160 -11.618 7.752 1.00 45.14 H new ATOM 0 HA ALA A 88 2.524 -8.983 8.609 1.00 63.52 H new ATOM 0 HB1 ALA A 88 4.587 -9.098 7.240 1.00 51.11 H new ATOM 0 HB2 ALA A 88 4.344 -10.583 8.190 1.00 51.11 H new ATOM 0 HB3 ALA A 88 3.972 -10.569 6.450 1.00 51.11 H new ATOM 1334 N PHE A 89 1.474 -9.242 5.510 1.00 34.42 N ATOM 1335 CA PHE A 89 0.845 -8.518 4.405 1.00 2.31 C ATOM 1336 C PHE A 89 -0.393 -7.743 4.888 1.00 60.23 C ATOM 1337 O PHE A 89 -0.586 -6.575 4.551 1.00 25.12 O ATOM 1338 CB PHE A 89 0.451 -9.525 3.314 1.00 12.43 C ATOM 1339 CG PHE A 89 -0.089 -8.910 2.050 1.00 21.32 C ATOM 1340 CD1 PHE A 89 0.772 -8.386 1.097 1.00 53.34 C ATOM 1341 CD2 PHE A 89 -1.453 -8.867 1.806 1.00 51.42 C ATOM 1342 CE1 PHE A 89 0.282 -7.833 -0.070 1.00 34.52 C ATOM 1343 CE2 PHE A 89 -1.946 -8.317 0.640 1.00 1.20 C ATOM 1344 CZ PHE A 89 -1.077 -7.799 -0.299 1.00 64.22 C ATOM 0 H PHE A 89 1.478 -10.255 5.391 1.00 34.42 H new ATOM 0 HA PHE A 89 1.553 -7.793 4.003 1.00 2.31 H new ATOM 0 HB2 PHE A 89 1.324 -10.128 3.064 1.00 12.43 H new ATOM 0 HB3 PHE A 89 -0.299 -10.204 3.720 1.00 12.43 H new ATOM 0 HD1 PHE A 89 1.838 -8.411 1.269 1.00 53.34 H new ATOM 0 HD2 PHE A 89 -2.138 -9.269 2.537 1.00 51.42 H new ATOM 0 HE1 PHE A 89 0.963 -7.427 -0.803 1.00 34.52 H new ATOM 0 HE2 PHE A 89 -3.011 -8.292 0.462 1.00 1.20 H new ATOM 0 HZ PHE A 89 -1.461 -7.368 -1.212 1.00 64.22 H new ATOM 1354 N ARG A 90 -1.222 -8.406 5.692 1.00 73.35 N ATOM 1355 CA ARG A 90 -2.458 -7.806 6.201 1.00 15.30 C ATOM 1356 C ARG A 90 -2.192 -6.641 7.166 1.00 62.13 C ATOM 1357 O ARG A 90 -2.784 -5.569 7.026 1.00 12.11 O ATOM 1358 CB ARG A 90 -3.326 -8.871 6.885 1.00 4.43 C ATOM 1359 CG ARG A 90 -4.014 -9.819 5.907 1.00 34.43 C ATOM 1360 CD ARG A 90 -5.010 -9.074 5.022 1.00 14.20 C ATOM 1361 NE ARG A 90 -6.060 -8.438 5.813 1.00 10.03 N ATOM 1362 CZ ARG A 90 -6.621 -7.293 5.531 1.00 35.54 C ATOM 1363 NH1 ARG A 90 -6.258 -6.605 4.495 1.00 74.35 N ATOM 1364 NH2 ARG A 90 -7.546 -6.837 6.304 1.00 10.01 N ATOM 0 H ARG A 90 -1.061 -9.363 6.007 1.00 73.35 H new ATOM 0 HA ARG A 90 -2.991 -7.398 5.342 1.00 15.30 H new ATOM 0 HB2 ARG A 90 -2.704 -9.453 7.565 1.00 4.43 H new ATOM 0 HB3 ARG A 90 -4.084 -8.375 7.492 1.00 4.43 H new ATOM 0 HG2 ARG A 90 -3.266 -10.309 5.284 1.00 34.43 H new ATOM 0 HG3 ARG A 90 -4.531 -10.603 6.460 1.00 34.43 H new ATOM 0 HD2 ARG A 90 -4.485 -8.318 4.438 1.00 14.20 H new ATOM 0 HD3 ARG A 90 -5.459 -9.769 4.313 1.00 14.20 H new ATOM 0 HE ARG A 90 -6.380 -8.926 6.650 1.00 10.03 H new ATOM 0 HH11 ARG A 90 -5.522 -6.956 3.882 1.00 74.35 H new ATOM 0 HH12 ARG A 90 -6.709 -5.713 4.292 1.00 74.35 H new ATOM 0 HH21 ARG A 90 -7.832 -7.369 7.126 1.00 10.01 H new ATOM 0 HH22 ARG A 90 -7.992 -5.944 6.094 1.00 10.01 H new ATOM 1378 N GLU A 91 -1.302 -6.843 8.138 1.00 71.22 N ATOM 1379 CA GLU A 91 -1.005 -5.795 9.118 1.00 21.35 C ATOM 1380 C GLU A 91 -0.414 -4.551 8.434 1.00 12.43 C ATOM 1381 O GLU A 91 -0.726 -3.424 8.808 1.00 24.54 O ATOM 1382 CB GLU A 91 -0.080 -6.332 10.232 1.00 62.13 C ATOM 1383 CG GLU A 91 1.370 -6.612 9.820 1.00 34.24 C ATOM 1384 CD GLU A 91 2.285 -5.399 9.964 1.00 15.02 C ATOM 1385 OE1 GLU A 91 2.322 -4.803 11.062 1.00 32.33 O ATOM 1386 OE2 GLU A 91 2.968 -5.033 8.988 1.00 3.32 O ATOM 0 H GLU A 91 -0.780 -7.710 8.268 1.00 71.22 H new ATOM 0 HA GLU A 91 -1.940 -5.491 9.588 1.00 21.35 H new ATOM 0 HB2 GLU A 91 -0.072 -5.612 11.050 1.00 62.13 H new ATOM 0 HB3 GLU A 91 -0.511 -7.254 10.623 1.00 62.13 H new ATOM 0 HG2 GLU A 91 1.762 -7.428 10.428 1.00 34.24 H new ATOM 0 HG3 GLU A 91 1.387 -6.950 8.784 1.00 34.24 H new ATOM 1393 N ALA A 92 0.412 -4.765 7.410 1.00 41.53 N ATOM 1394 CA ALA A 92 0.953 -3.659 6.611 1.00 2.52 C ATOM 1395 C ALA A 92 -0.174 -2.866 5.929 1.00 35.24 C ATOM 1396 O ALA A 92 -0.177 -1.631 5.935 1.00 62.52 O ATOM 1397 CB ALA A 92 1.940 -4.190 5.579 1.00 24.15 C ATOM 0 H ALA A 92 0.722 -5.690 7.113 1.00 41.53 H new ATOM 0 HA ALA A 92 1.480 -2.979 7.280 1.00 2.52 H new ATOM 0 HB1 ALA A 92 2.335 -3.360 4.992 1.00 24.15 H new ATOM 0 HB2 ALA A 92 2.760 -4.697 6.087 1.00 24.15 H new ATOM 0 HB3 ALA A 92 1.433 -4.893 4.918 1.00 24.15 H new ATOM 1403 N VAL A 93 -1.132 -3.584 5.343 1.00 22.53 N ATOM 1404 CA VAL A 93 -2.322 -2.956 4.753 1.00 23.13 C ATOM 1405 C VAL A 93 -3.095 -2.143 5.806 1.00 14.30 C ATOM 1406 O VAL A 93 -3.584 -1.047 5.526 1.00 33.00 O ATOM 1407 CB VAL A 93 -3.265 -4.012 4.120 1.00 53.51 C ATOM 1408 CG1 VAL A 93 -4.545 -3.363 3.591 1.00 24.45 C ATOM 1409 CG2 VAL A 93 -2.549 -4.772 3.008 1.00 20.22 C ATOM 0 H VAL A 93 -1.111 -4.601 5.262 1.00 22.53 H new ATOM 0 HA VAL A 93 -1.974 -2.284 3.968 1.00 23.13 H new ATOM 0 HB VAL A 93 -3.546 -4.721 4.899 1.00 53.51 H new ATOM 0 HG11 VAL A 93 -5.186 -4.128 3.153 1.00 24.45 H new ATOM 0 HG12 VAL A 93 -5.071 -2.874 4.411 1.00 24.45 H new ATOM 0 HG13 VAL A 93 -4.291 -2.624 2.831 1.00 24.45 H new ATOM 0 HG21 VAL A 93 -3.227 -5.508 2.576 1.00 20.22 H new ATOM 0 HG22 VAL A 93 -2.233 -4.072 2.234 1.00 20.22 H new ATOM 0 HG23 VAL A 93 -1.676 -5.279 3.418 1.00 20.22 H new ATOM 1419 N SER A 94 -3.183 -2.685 7.024 1.00 31.11 N ATOM 1420 CA SER A 94 -3.836 -1.990 8.145 1.00 44.12 C ATOM 1421 C SER A 94 -3.192 -0.617 8.400 1.00 21.44 C ATOM 1422 O SER A 94 -3.875 0.349 8.733 1.00 54.31 O ATOM 1423 CB SER A 94 -3.768 -2.840 9.424 1.00 60.14 C ATOM 1424 OG SER A 94 -4.454 -2.215 10.501 1.00 22.33 O ATOM 0 H SER A 94 -2.811 -3.604 7.262 1.00 31.11 H new ATOM 0 HA SER A 94 -4.880 -1.838 7.873 1.00 44.12 H new ATOM 0 HB2 SER A 94 -4.204 -3.821 9.234 1.00 60.14 H new ATOM 0 HB3 SER A 94 -2.726 -3.002 9.700 1.00 60.14 H new ATOM 0 HG SER A 94 -4.394 -2.780 11.299 1.00 22.33 H new ATOM 1430 N LYS A 95 -1.868 -0.534 8.250 1.00 32.45 N ATOM 1431 CA LYS A 95 -1.163 0.756 8.338 1.00 4.12 C ATOM 1432 C LYS A 95 -1.496 1.643 7.124 1.00 62.33 C ATOM 1433 O LYS A 95 -1.693 2.853 7.257 1.00 33.15 O ATOM 1434 CB LYS A 95 0.364 0.550 8.432 1.00 3.25 C ATOM 1435 CG LYS A 95 0.884 0.162 9.822 1.00 1.11 C ATOM 1436 CD LYS A 95 0.309 -1.161 10.314 1.00 62.22 C ATOM 1437 CE LYS A 95 0.926 -1.601 11.640 1.00 60.25 C ATOM 1438 NZ LYS A 95 2.380 -1.885 11.516 1.00 33.00 N ATOM 0 H LYS A 95 -1.263 -1.335 8.068 1.00 32.45 H new ATOM 0 HA LYS A 95 -1.502 1.256 9.245 1.00 4.12 H new ATOM 0 HB2 LYS A 95 0.655 -0.225 7.723 1.00 3.25 H new ATOM 0 HB3 LYS A 95 0.859 1.470 8.120 1.00 3.25 H new ATOM 0 HG2 LYS A 95 1.971 0.093 9.793 1.00 1.11 H new ATOM 0 HG3 LYS A 95 0.633 0.950 10.533 1.00 1.11 H new ATOM 0 HD2 LYS A 95 -0.770 -1.065 10.432 1.00 62.22 H new ATOM 0 HD3 LYS A 95 0.480 -1.931 9.562 1.00 62.22 H new ATOM 0 HE2 LYS A 95 0.772 -0.822 12.387 1.00 60.25 H new ATOM 0 HE3 LYS A 95 0.413 -2.493 11.999 1.00 60.25 H new ATOM 0 HZ1 LYS A 95 2.549 -2.901 11.660 1.00 33.00 H new ATOM 0 HZ2 LYS A 95 2.708 -1.610 10.568 1.00 33.00 H new ATOM 0 HZ3 LYS A 95 2.902 -1.342 12.233 1.00 33.00 H new ATOM 1452 N LEU A 96 -1.578 1.022 5.948 1.00 11.43 N ATOM 1453 CA LEU A 96 -1.834 1.740 4.692 1.00 32.23 C ATOM 1454 C LEU A 96 -3.194 2.471 4.704 1.00 74.11 C ATOM 1455 O LEU A 96 -3.261 3.667 4.429 1.00 73.24 O ATOM 1456 CB LEU A 96 -1.770 0.759 3.508 1.00 71.54 C ATOM 1457 CG LEU A 96 -1.930 1.383 2.109 1.00 13.31 C ATOM 1458 CD1 LEU A 96 -0.819 2.394 1.833 1.00 24.52 C ATOM 1459 CD2 LEU A 96 -1.950 0.297 1.035 1.00 21.23 C ATOM 0 H LEU A 96 -1.470 0.014 5.835 1.00 11.43 H new ATOM 0 HA LEU A 96 -1.060 2.500 4.583 1.00 32.23 H new ATOM 0 HB2 LEU A 96 -0.814 0.237 3.545 1.00 71.54 H new ATOM 0 HB3 LEU A 96 -2.549 0.008 3.641 1.00 71.54 H new ATOM 0 HG LEU A 96 -2.883 1.912 2.080 1.00 13.31 H new ATOM 0 HD11 LEU A 96 -0.954 2.821 0.839 1.00 24.52 H new ATOM 0 HD12 LEU A 96 -0.857 3.189 2.578 1.00 24.52 H new ATOM 0 HD13 LEU A 96 0.149 1.895 1.885 1.00 24.52 H new ATOM 0 HD21 LEU A 96 -2.064 0.758 0.054 1.00 21.23 H new ATOM 0 HD22 LEU A 96 -1.016 -0.263 1.067 1.00 21.23 H new ATOM 0 HD23 LEU A 96 -2.785 -0.380 1.217 1.00 21.23 H new ATOM 1471 N GLU A 97 -4.275 1.757 5.040 1.00 61.33 N ATOM 1472 CA GLU A 97 -5.617 2.367 5.054 1.00 12.51 C ATOM 1473 C GLU A 97 -5.743 3.454 6.137 1.00 4.41 C ATOM 1474 O GLU A 97 -6.317 4.517 5.891 1.00 64.55 O ATOM 1475 CB GLU A 97 -6.720 1.305 5.230 1.00 13.20 C ATOM 1476 CG GLU A 97 -6.523 0.373 6.420 1.00 2.23 C ATOM 1477 CD GLU A 97 -7.753 -0.477 6.714 1.00 23.45 C ATOM 1478 OE1 GLU A 97 -8.058 -1.399 5.926 1.00 42.24 O ATOM 1479 OE2 GLU A 97 -8.436 -0.217 7.729 1.00 4.32 O ATOM 0 H GLU A 97 -4.253 0.772 5.302 1.00 61.33 H new ATOM 0 HA GLU A 97 -5.753 2.844 4.083 1.00 12.51 H new ATOM 0 HB2 GLU A 97 -7.679 1.811 5.337 1.00 13.20 H new ATOM 0 HB3 GLU A 97 -6.776 0.705 4.322 1.00 13.20 H new ATOM 0 HG2 GLU A 97 -5.673 -0.281 6.227 1.00 2.23 H new ATOM 0 HG3 GLU A 97 -6.276 0.964 7.302 1.00 2.23 H new ATOM 1486 N LEU A 98 -5.203 3.193 7.330 1.00 44.44 N ATOM 1487 CA LEU A 98 -5.191 4.196 8.406 1.00 5.24 C ATOM 1488 C LEU A 98 -4.409 5.452 7.983 1.00 74.34 C ATOM 1489 O LEU A 98 -4.816 6.580 8.270 1.00 73.13 O ATOM 1490 CB LEU A 98 -4.600 3.602 9.699 1.00 71.13 C ATOM 1491 CG LEU A 98 -5.606 2.892 10.630 1.00 15.32 C ATOM 1492 CD1 LEU A 98 -6.579 3.898 11.241 1.00 33.01 C ATOM 1493 CD2 LEU A 98 -6.368 1.794 9.885 1.00 41.53 C ATOM 0 H LEU A 98 -4.770 2.303 7.578 1.00 44.44 H new ATOM 0 HA LEU A 98 -6.223 4.489 8.601 1.00 5.24 H new ATOM 0 HB2 LEU A 98 -3.820 2.891 9.427 1.00 71.13 H new ATOM 0 HB3 LEU A 98 -4.119 4.404 10.259 1.00 71.13 H new ATOM 0 HG LEU A 98 -5.041 2.423 11.436 1.00 15.32 H new ATOM 0 HD11 LEU A 98 -7.279 3.377 11.894 1.00 33.01 H new ATOM 0 HD12 LEU A 98 -6.024 4.636 11.820 1.00 33.01 H new ATOM 0 HD13 LEU A 98 -7.130 4.401 10.446 1.00 33.01 H new ATOM 0 HD21 LEU A 98 -7.069 1.312 10.566 1.00 41.53 H new ATOM 0 HD22 LEU A 98 -6.916 2.233 9.051 1.00 41.53 H new ATOM 0 HD23 LEU A 98 -5.663 1.054 9.506 1.00 41.53 H new ATOM 1505 N SER A 99 -3.300 5.245 7.281 1.00 11.50 N ATOM 1506 CA SER A 99 -2.480 6.355 6.776 1.00 44.24 C ATOM 1507 C SER A 99 -3.215 7.143 5.676 1.00 23.43 C ATOM 1508 O SER A 99 -3.178 8.374 5.641 1.00 25.05 O ATOM 1509 CB SER A 99 -1.147 5.820 6.237 1.00 42.14 C ATOM 1510 OG SER A 99 -0.312 6.869 5.775 1.00 21.51 O ATOM 0 H SER A 99 -2.943 4.319 7.045 1.00 11.50 H new ATOM 0 HA SER A 99 -2.289 7.036 7.606 1.00 44.24 H new ATOM 0 HB2 SER A 99 -0.633 5.264 7.021 1.00 42.14 H new ATOM 0 HB3 SER A 99 -1.337 5.120 5.423 1.00 42.14 H new ATOM 0 HG SER A 99 0.584 6.517 5.590 1.00 21.51 H new ATOM 1516 N LEU A 100 -3.903 6.431 4.787 1.00 64.45 N ATOM 1517 CA LEU A 100 -4.668 7.068 3.704 1.00 60.21 C ATOM 1518 C LEU A 100 -5.882 7.858 4.229 1.00 10.52 C ATOM 1519 O LEU A 100 -6.175 8.955 3.742 1.00 43.52 O ATOM 1520 CB LEU A 100 -5.128 6.011 2.687 1.00 74.21 C ATOM 1521 CG LEU A 100 -4.025 5.474 1.757 1.00 24.15 C ATOM 1522 CD1 LEU A 100 -4.533 4.296 0.934 1.00 33.52 C ATOM 1523 CD2 LEU A 100 -3.517 6.581 0.834 1.00 43.10 C ATOM 0 H LEU A 100 -3.950 5.412 4.790 1.00 64.45 H new ATOM 0 HA LEU A 100 -4.003 7.781 3.217 1.00 60.21 H new ATOM 0 HB2 LEU A 100 -5.563 5.172 3.230 1.00 74.21 H new ATOM 0 HB3 LEU A 100 -5.921 6.440 2.074 1.00 74.21 H new ATOM 0 HG LEU A 100 -3.199 5.128 2.379 1.00 24.15 H new ATOM 0 HD11 LEU A 100 -3.735 3.935 0.285 1.00 33.52 H new ATOM 0 HD12 LEU A 100 -4.848 3.495 1.602 1.00 33.52 H new ATOM 0 HD13 LEU A 100 -5.379 4.615 0.325 1.00 33.52 H new ATOM 0 HD21 LEU A 100 -2.738 6.183 0.184 1.00 43.10 H new ATOM 0 HD22 LEU A 100 -4.341 6.955 0.226 1.00 43.10 H new ATOM 0 HD23 LEU A 100 -3.109 7.395 1.433 1.00 43.10 H new ATOM 1535 N GLN A 101 -6.589 7.307 5.218 1.00 75.55 N ATOM 1536 CA GLN A 101 -7.786 7.968 5.758 1.00 15.23 C ATOM 1537 C GLN A 101 -7.430 9.247 6.536 1.00 1.21 C ATOM 1538 O GLN A 101 -8.212 10.200 6.557 1.00 65.24 O ATOM 1539 CB GLN A 101 -8.598 7.011 6.648 1.00 55.13 C ATOM 1540 CG GLN A 101 -7.897 6.605 7.938 1.00 22.33 C ATOM 1541 CD GLN A 101 -8.733 5.657 8.785 1.00 14.00 C ATOM 1542 OE1 GLN A 101 -8.646 4.440 8.650 1.00 30.02 O ATOM 1543 NE2 GLN A 101 -9.551 6.205 9.660 1.00 1.23 N ATOM 0 H GLN A 101 -6.360 6.416 5.659 1.00 75.55 H new ATOM 0 HA GLN A 101 -8.402 8.254 4.905 1.00 15.23 H new ATOM 0 HB2 GLN A 101 -9.547 7.484 6.898 1.00 55.13 H new ATOM 0 HB3 GLN A 101 -8.831 6.112 6.077 1.00 55.13 H new ATOM 0 HG2 GLN A 101 -6.947 6.128 7.696 1.00 22.33 H new ATOM 0 HG3 GLN A 101 -7.667 7.498 8.519 1.00 22.33 H new ATOM 0 HE21 GLN A 101 -9.599 7.220 9.747 1.00 1.23 H new ATOM 0 HE22 GLN A 101 -10.136 5.614 10.251 1.00 1.23 H new ATOM 1552 N GLU A 102 -6.258 9.267 7.176 1.00 41.33 N ATOM 1553 CA GLU A 102 -5.796 10.471 7.880 1.00 54.45 C ATOM 1554 C GLU A 102 -5.217 11.504 6.894 1.00 75.44 C ATOM 1555 O GLU A 102 -5.474 12.700 7.013 1.00 21.15 O ATOM 1556 CB GLU A 102 -4.749 10.118 8.952 1.00 64.14 C ATOM 1557 CG GLU A 102 -3.445 9.559 8.392 1.00 15.55 C ATOM 1558 CD GLU A 102 -2.390 9.315 9.462 1.00 35.12 C ATOM 1559 OE1 GLU A 102 -1.836 10.306 9.983 1.00 70.11 O ATOM 1560 OE2 GLU A 102 -2.113 8.140 9.790 1.00 43.34 O ATOM 0 H GLU A 102 -5.617 8.475 7.223 1.00 41.33 H new ATOM 0 HA GLU A 102 -6.662 10.913 8.374 1.00 54.45 H new ATOM 0 HB2 GLU A 102 -4.527 11.012 9.535 1.00 64.14 H new ATOM 0 HB3 GLU A 102 -5.179 9.388 9.638 1.00 64.14 H new ATOM 0 HG2 GLU A 102 -3.651 8.623 7.874 1.00 15.55 H new ATOM 0 HG3 GLU A 102 -3.048 10.253 7.651 1.00 15.55 H new ATOM 1567 N LEU A 103 -4.448 11.030 5.909 1.00 34.50 N ATOM 1568 CA LEU A 103 -3.820 11.909 4.912 1.00 13.44 C ATOM 1569 C LEU A 103 -4.858 12.723 4.122 1.00 54.11 C ATOM 1570 O LEU A 103 -4.768 13.947 4.047 1.00 24.05 O ATOM 1571 CB LEU A 103 -2.964 11.085 3.936 1.00 72.10 C ATOM 1572 CG LEU A 103 -2.247 11.901 2.847 1.00 70.11 C ATOM 1573 CD1 LEU A 103 -1.229 12.861 3.460 1.00 4.13 C ATOM 1574 CD2 LEU A 103 -1.582 10.977 1.831 1.00 25.44 C ATOM 0 H LEU A 103 -4.244 10.039 5.779 1.00 34.50 H new ATOM 0 HA LEU A 103 -3.188 12.610 5.457 1.00 13.44 H new ATOM 0 HB2 LEU A 103 -2.216 10.536 4.508 1.00 72.10 H new ATOM 0 HB3 LEU A 103 -3.602 10.345 3.453 1.00 72.10 H new ATOM 0 HG LEU A 103 -2.995 12.498 2.325 1.00 70.11 H new ATOM 0 HD11 LEU A 103 -0.737 13.425 2.667 1.00 4.13 H new ATOM 0 HD12 LEU A 103 -1.739 13.550 4.133 1.00 4.13 H new ATOM 0 HD13 LEU A 103 -0.484 12.294 4.018 1.00 4.13 H new ATOM 0 HD21 LEU A 103 -1.081 11.574 1.070 1.00 25.44 H new ATOM 0 HD22 LEU A 103 -0.851 10.346 2.337 1.00 25.44 H new ATOM 0 HD23 LEU A 103 -2.339 10.350 1.360 1.00 25.44 H new ATOM 1586 N GLN A 104 -5.846 12.039 3.547 1.00 32.44 N ATOM 1587 CA GLN A 104 -6.854 12.688 2.693 1.00 44.35 C ATOM 1588 C GLN A 104 -7.563 13.861 3.399 1.00 44.30 C ATOM 1589 O GLN A 104 -7.990 14.818 2.751 1.00 11.21 O ATOM 1590 CB GLN A 104 -7.885 11.655 2.213 1.00 65.41 C ATOM 1591 CG GLN A 104 -8.656 10.969 3.336 1.00 3.33 C ATOM 1592 CD GLN A 104 -9.609 9.900 2.824 1.00 4.52 C ATOM 1593 OE1 GLN A 104 -10.766 10.174 2.526 1.00 53.23 O ATOM 1594 NE2 GLN A 104 -9.130 8.678 2.710 1.00 52.15 N ATOM 0 H GLN A 104 -5.975 11.033 3.654 1.00 32.44 H new ATOM 0 HA GLN A 104 -6.327 13.105 1.835 1.00 44.35 H new ATOM 0 HB2 GLN A 104 -8.595 12.149 1.550 1.00 65.41 H new ATOM 0 HB3 GLN A 104 -7.373 10.895 1.623 1.00 65.41 H new ATOM 0 HG2 GLN A 104 -7.950 10.517 4.033 1.00 3.33 H new ATOM 0 HG3 GLN A 104 -9.220 11.717 3.893 1.00 3.33 H new ATOM 0 HE21 GLN A 104 -8.162 8.484 2.967 1.00 52.15 H new ATOM 0 HE22 GLN A 104 -9.727 7.926 2.365 1.00 52.15 H new ATOM 1603 N VAL A 105 -7.682 13.789 4.723 1.00 54.22 N ATOM 1604 CA VAL A 105 -8.334 14.854 5.502 1.00 52.42 C ATOM 1605 C VAL A 105 -7.310 15.802 6.159 1.00 20.34 C ATOM 1606 O VAL A 105 -7.639 16.938 6.510 1.00 33.21 O ATOM 1607 CB VAL A 105 -9.265 14.264 6.596 1.00 41.41 C ATOM 1608 CG1 VAL A 105 -10.358 13.400 5.969 1.00 34.43 C ATOM 1609 CG2 VAL A 105 -8.467 13.462 7.625 1.00 34.40 C ATOM 0 H VAL A 105 -7.338 13.009 5.283 1.00 54.22 H new ATOM 0 HA VAL A 105 -8.931 15.429 4.795 1.00 52.42 H new ATOM 0 HB VAL A 105 -9.741 15.096 7.114 1.00 41.41 H new ATOM 0 HG11 VAL A 105 -10.998 12.997 6.754 1.00 34.43 H new ATOM 0 HG12 VAL A 105 -10.956 14.007 5.289 1.00 34.43 H new ATOM 0 HG13 VAL A 105 -9.901 12.579 5.417 1.00 34.43 H new ATOM 0 HG21 VAL A 105 -9.145 13.061 8.379 1.00 34.40 H new ATOM 0 HG22 VAL A 105 -7.952 12.641 7.126 1.00 34.40 H new ATOM 0 HG23 VAL A 105 -7.735 14.112 8.104 1.00 34.40 H new ATOM 1619 N SER A 106 -6.066 15.339 6.310 1.00 41.21 N ATOM 1620 CA SER A 106 -5.009 16.126 6.977 1.00 44.22 C ATOM 1621 C SER A 106 -3.875 16.521 6.018 1.00 11.31 C ATOM 1622 O SER A 106 -2.780 16.877 6.458 1.00 64.23 O ATOM 1623 CB SER A 106 -4.431 15.342 8.166 1.00 33.41 C ATOM 1624 OG SER A 106 -5.398 15.184 9.198 1.00 22.10 O ATOM 0 H SER A 106 -5.760 14.423 5.981 1.00 41.21 H new ATOM 0 HA SER A 106 -5.475 17.046 7.330 1.00 44.22 H new ATOM 0 HB2 SER A 106 -4.092 14.362 7.829 1.00 33.41 H new ATOM 0 HB3 SER A 106 -3.558 15.863 8.559 1.00 33.41 H new ATOM 0 HG SER A 106 -5.004 14.681 9.941 1.00 22.10 H new ATOM 1630 N SER A 107 -4.142 16.461 4.714 1.00 42.40 N ATOM 1631 CA SER A 107 -3.155 16.852 3.690 1.00 43.44 C ATOM 1632 C SER A 107 -2.738 18.320 3.845 1.00 70.44 C ATOM 1633 O SER A 107 -1.549 18.630 3.883 1.00 54.25 O ATOM 1634 CB SER A 107 -3.727 16.630 2.281 1.00 34.32 C ATOM 1635 OG SER A 107 -4.826 17.493 2.020 1.00 4.52 O ATOM 0 H SER A 107 -5.034 16.145 4.334 1.00 42.40 H new ATOM 0 HA SER A 107 -2.274 16.225 3.829 1.00 43.44 H new ATOM 0 HB2 SER A 107 -2.946 16.800 1.540 1.00 34.32 H new ATOM 0 HB3 SER A 107 -4.045 15.593 2.176 1.00 34.32 H new ATOM 0 HG SER A 107 -5.165 17.327 1.115 1.00 4.52 H new ATOM 1641 N ALA A 108 -3.732 19.207 3.917 1.00 62.34 N ATOM 1642 CA ALA A 108 -3.515 20.652 4.111 1.00 2.34 C ATOM 1643 C ALA A 108 -2.801 21.300 2.911 1.00 44.05 C ATOM 1644 O ALA A 108 -3.396 22.095 2.180 1.00 4.33 O ATOM 1645 CB ALA A 108 -2.748 20.916 5.406 1.00 42.35 C ATOM 0 H ALA A 108 -4.716 18.948 3.843 1.00 62.34 H new ATOM 0 HA ALA A 108 -4.498 21.116 4.187 1.00 2.34 H new ATOM 0 HB1 ALA A 108 -2.599 21.989 5.529 1.00 42.35 H new ATOM 0 HB2 ALA A 108 -3.317 20.530 6.251 1.00 42.35 H new ATOM 0 HB3 ALA A 108 -1.779 20.418 5.363 1.00 42.35 H new ATOM 1651 N ALA A 109 -1.529 20.959 2.724 1.00 2.03 N ATOM 1652 CA ALA A 109 -0.724 21.455 1.599 1.00 43.43 C ATOM 1653 C ALA A 109 -1.419 21.247 0.242 1.00 21.40 C ATOM 1654 O ALA A 109 -1.212 22.023 -0.693 1.00 4.42 O ATOM 1655 CB ALA A 109 0.631 20.758 1.606 1.00 45.24 C ATOM 0 H ALA A 109 -1.022 20.330 3.346 1.00 2.03 H new ATOM 0 HA ALA A 109 -0.597 22.530 1.728 1.00 43.43 H new ATOM 0 HB1 ALA A 109 1.232 21.123 0.773 1.00 45.24 H new ATOM 0 HB2 ALA A 109 1.144 20.970 2.544 1.00 45.24 H new ATOM 0 HB3 ALA A 109 0.487 19.682 1.506 1.00 45.24 H new ATOM 1661 N ALA A 110 -2.220 20.179 0.140 1.00 3.41 N ATOM 1662 CA ALA A 110 -2.988 19.855 -1.077 1.00 22.33 C ATOM 1663 C ALA A 110 -2.099 19.284 -2.197 1.00 14.44 C ATOM 1664 O ALA A 110 -2.452 18.282 -2.822 1.00 34.55 O ATOM 1665 CB ALA A 110 -3.783 21.063 -1.574 1.00 43.31 C ATOM 0 H ALA A 110 -2.357 19.511 0.899 1.00 3.41 H new ATOM 0 HA ALA A 110 -3.695 19.074 -0.799 1.00 22.33 H new ATOM 0 HB1 ALA A 110 -4.337 20.789 -2.472 1.00 43.31 H new ATOM 0 HB2 ALA A 110 -4.481 21.383 -0.800 1.00 43.31 H new ATOM 0 HB3 ALA A 110 -3.098 21.879 -1.805 1.00 43.31 H new ATOM 1671 N GLY A 111 -0.952 19.916 -2.452 1.00 32.34 N ATOM 1672 CA GLY A 111 -0.041 19.423 -3.481 1.00 53.15 C ATOM 1673 C GLY A 111 1.429 19.699 -3.190 1.00 5.21 C ATOM 1674 O GLY A 111 2.121 20.346 -3.978 1.00 74.13 O ATOM 0 H GLY A 111 -0.637 20.757 -1.968 1.00 32.34 H new ATOM 0 HA2 GLY A 111 -0.183 18.348 -3.593 1.00 53.15 H new ATOM 0 HA3 GLY A 111 -0.304 19.881 -4.435 1.00 53.15 H new ATOM 1678 N VAL A 112 1.907 19.202 -2.051 1.00 74.24 N ATOM 1679 CA VAL A 112 3.328 19.305 -1.692 1.00 34.15 C ATOM 1680 C VAL A 112 3.853 17.957 -1.153 1.00 3.15 C ATOM 1681 O VAL A 112 3.249 17.364 -0.256 1.00 34.10 O ATOM 1682 CB VAL A 112 3.570 20.411 -0.626 1.00 41.24 C ATOM 1683 CG1 VAL A 112 5.058 20.529 -0.284 1.00 25.21 C ATOM 1684 CG2 VAL A 112 3.018 21.760 -1.094 1.00 13.14 C ATOM 0 H VAL A 112 1.334 18.722 -1.357 1.00 74.24 H new ATOM 0 HA VAL A 112 3.869 19.572 -2.600 1.00 34.15 H new ATOM 0 HB VAL A 112 3.034 20.120 0.278 1.00 41.24 H new ATOM 0 HG11 VAL A 112 5.199 21.310 0.464 1.00 25.21 H new ATOM 0 HG12 VAL A 112 5.417 19.579 0.111 1.00 25.21 H new ATOM 0 HG13 VAL A 112 5.619 20.783 -1.183 1.00 25.21 H new ATOM 0 HG21 VAL A 112 3.202 22.514 -0.328 1.00 13.14 H new ATOM 0 HG22 VAL A 112 3.513 22.055 -2.019 1.00 13.14 H new ATOM 0 HG23 VAL A 112 1.945 21.674 -1.268 1.00 13.14 H new ATOM 1694 N PRO A 113 4.971 17.441 -1.708 1.00 41.24 N ATOM 1695 CA PRO A 113 5.593 16.193 -1.228 1.00 31.44 C ATOM 1696 C PRO A 113 6.514 16.411 -0.010 1.00 54.43 C ATOM 1697 O PRO A 113 7.029 17.510 0.204 1.00 15.00 O ATOM 1698 CB PRO A 113 6.404 15.744 -2.448 1.00 75.41 C ATOM 1699 CG PRO A 113 6.831 17.021 -3.094 1.00 72.12 C ATOM 1700 CD PRO A 113 5.713 18.012 -2.853 1.00 73.34 C ATOM 0 HA PRO A 113 4.857 15.468 -0.881 1.00 31.44 H new ATOM 0 HB2 PRO A 113 7.262 15.139 -2.155 1.00 75.41 H new ATOM 0 HB3 PRO A 113 5.803 15.137 -3.125 1.00 75.41 H new ATOM 0 HG2 PRO A 113 7.767 17.379 -2.666 1.00 72.12 H new ATOM 0 HG3 PRO A 113 7.002 16.879 -4.161 1.00 72.12 H new ATOM 0 HD2 PRO A 113 6.101 19.004 -2.622 1.00 73.34 H new ATOM 0 HD3 PRO A 113 5.075 18.116 -3.731 1.00 73.34 H new ATOM 1708 N GLY A 114 6.709 15.364 0.793 1.00 52.04 N ATOM 1709 CA GLY A 114 7.602 15.449 1.952 1.00 20.15 C ATOM 1710 C GLY A 114 7.011 16.202 3.150 1.00 41.05 C ATOM 1711 O GLY A 114 7.157 15.764 4.292 1.00 21.44 O ATOM 0 H GLY A 114 6.266 14.454 0.665 1.00 52.04 H new ATOM 0 HA2 GLY A 114 7.867 14.440 2.267 1.00 20.15 H new ATOM 0 HA3 GLY A 114 8.526 15.941 1.649 1.00 20.15 H new ATOM 1715 N THR A 115 6.343 17.332 2.882 1.00 44.04 N ATOM 1716 CA THR A 115 5.791 18.217 3.931 1.00 75.54 C ATOM 1717 C THR A 115 5.074 17.459 5.062 1.00 65.25 C ATOM 1718 O THR A 115 5.174 17.833 6.232 1.00 54.13 O ATOM 1719 CB THR A 115 4.806 19.255 3.330 1.00 15.42 C ATOM 1720 OG1 THR A 115 4.283 20.096 4.369 1.00 51.53 O ATOM 1721 CG2 THR A 115 3.653 18.573 2.592 1.00 32.12 C ATOM 0 H THR A 115 6.167 17.663 1.934 1.00 44.04 H new ATOM 0 HA THR A 115 6.657 18.720 4.361 1.00 75.54 H new ATOM 0 HB THR A 115 5.359 19.860 2.611 1.00 15.42 H new ATOM 0 HG1 THR A 115 3.664 20.749 3.981 1.00 51.53 H new ATOM 0 HG21 THR A 115 2.983 19.330 2.184 1.00 32.12 H new ATOM 0 HG22 THR A 115 4.050 17.965 1.779 1.00 32.12 H new ATOM 0 HG23 THR A 115 3.102 17.937 3.285 1.00 32.12 H new ATOM 1729 N ASN A 116 4.354 16.397 4.711 1.00 3.51 N ATOM 1730 CA ASN A 116 3.615 15.601 5.698 1.00 71.40 C ATOM 1731 C ASN A 116 4.315 14.256 5.960 1.00 62.21 C ATOM 1732 O ASN A 116 4.535 13.474 5.033 1.00 23.33 O ATOM 1733 CB ASN A 116 2.181 15.362 5.210 1.00 21.22 C ATOM 1734 CG ASN A 116 1.397 16.654 5.075 1.00 24.44 C ATOM 1735 OD1 ASN A 116 1.610 17.605 5.820 1.00 22.32 O ATOM 1736 ND2 ASN A 116 0.495 16.705 4.121 1.00 13.50 N ATOM 0 H ASN A 116 4.264 16.064 3.751 1.00 3.51 H new ATOM 0 HA ASN A 116 3.588 16.158 6.635 1.00 71.40 H new ATOM 0 HB2 ASN A 116 2.207 14.853 4.247 1.00 21.22 H new ATOM 0 HB3 ASN A 116 1.668 14.699 5.907 1.00 21.22 H new ATOM 0 HD21 ASN A 116 -0.053 17.554 3.982 1.00 13.50 H new ATOM 0 HD22 ASN A 116 0.343 15.896 3.519 1.00 13.50 H new ATOM 1743 N PRO A 117 4.657 13.955 7.232 1.00 33.53 N ATOM 1744 CA PRO A 117 5.337 12.693 7.599 1.00 11.32 C ATOM 1745 C PRO A 117 4.560 11.450 7.141 1.00 21.43 C ATOM 1746 O PRO A 117 5.145 10.405 6.852 1.00 53.20 O ATOM 1747 CB PRO A 117 5.412 12.752 9.137 1.00 1.53 C ATOM 1748 CG PRO A 117 4.430 13.806 9.539 1.00 73.20 C ATOM 1749 CD PRO A 117 4.413 14.800 8.413 1.00 5.41 C ATOM 0 HA PRO A 117 6.312 12.606 7.119 1.00 11.32 H new ATOM 0 HB2 PRO A 117 5.159 11.789 9.580 1.00 1.53 H new ATOM 0 HB3 PRO A 117 6.418 13.003 9.473 1.00 1.53 H new ATOM 0 HG2 PRO A 117 3.440 13.378 9.698 1.00 73.20 H new ATOM 0 HG3 PRO A 117 4.726 14.280 10.475 1.00 73.20 H new ATOM 0 HD2 PRO A 117 3.458 15.321 8.348 1.00 5.41 H new ATOM 0 HD3 PRO A 117 5.184 15.561 8.533 1.00 5.41 H new ATOM 1757 N VAL A 118 3.235 11.585 7.068 1.00 10.32 N ATOM 1758 CA VAL A 118 2.354 10.511 6.596 1.00 62.22 C ATOM 1759 C VAL A 118 2.781 9.999 5.210 1.00 50.13 C ATOM 1760 O VAL A 118 2.683 8.809 4.921 1.00 72.53 O ATOM 1761 CB VAL A 118 0.883 10.995 6.536 1.00 11.22 C ATOM 1762 CG1 VAL A 118 -0.052 9.871 6.092 1.00 44.04 C ATOM 1763 CG2 VAL A 118 0.454 11.558 7.889 1.00 4.14 C ATOM 0 H VAL A 118 2.742 12.438 7.333 1.00 10.32 H new ATOM 0 HA VAL A 118 2.436 9.691 7.309 1.00 62.22 H new ATOM 0 HB VAL A 118 0.817 11.790 5.793 1.00 11.22 H new ATOM 0 HG11 VAL A 118 -1.077 10.241 6.060 1.00 44.04 H new ATOM 0 HG12 VAL A 118 0.240 9.525 5.101 1.00 44.04 H new ATOM 0 HG13 VAL A 118 0.013 9.044 6.799 1.00 44.04 H new ATOM 0 HG21 VAL A 118 -0.581 11.894 7.832 1.00 4.14 H new ATOM 0 HG22 VAL A 118 0.542 10.783 8.650 1.00 4.14 H new ATOM 0 HG23 VAL A 118 1.094 12.400 8.152 1.00 4.14 H new ATOM 1773 N LEU A 119 3.277 10.907 4.368 1.00 61.02 N ATOM 1774 CA LEU A 119 3.761 10.542 3.029 1.00 71.44 C ATOM 1775 C LEU A 119 4.934 9.549 3.124 1.00 32.01 C ATOM 1776 O LEU A 119 4.999 8.569 2.383 1.00 74.31 O ATOM 1777 CB LEU A 119 4.193 11.803 2.263 1.00 1.13 C ATOM 1778 CG LEU A 119 3.107 12.885 2.110 1.00 73.25 C ATOM 1779 CD1 LEU A 119 3.655 14.115 1.390 1.00 5.20 C ATOM 1780 CD2 LEU A 119 1.886 12.325 1.383 1.00 52.11 C ATOM 0 H LEU A 119 3.355 11.900 4.586 1.00 61.02 H new ATOM 0 HA LEU A 119 2.947 10.059 2.488 1.00 71.44 H new ATOM 0 HB2 LEU A 119 5.051 12.242 2.773 1.00 1.13 H new ATOM 0 HB3 LEU A 119 4.530 11.507 1.270 1.00 1.13 H new ATOM 0 HG LEU A 119 2.796 13.195 3.108 1.00 73.25 H new ATOM 0 HD11 LEU A 119 2.867 14.862 1.296 1.00 5.20 H new ATOM 0 HD12 LEU A 119 4.484 14.532 1.962 1.00 5.20 H new ATOM 0 HD13 LEU A 119 4.005 13.830 0.398 1.00 5.20 H new ATOM 0 HD21 LEU A 119 1.131 13.105 1.285 1.00 52.11 H new ATOM 0 HD22 LEU A 119 2.180 11.978 0.392 1.00 52.11 H new ATOM 0 HD23 LEU A 119 1.475 11.491 1.952 1.00 52.11 H new ATOM 1792 N ASN A 120 5.850 9.808 4.057 1.00 50.25 N ATOM 1793 CA ASN A 120 6.979 8.905 4.308 1.00 25.32 C ATOM 1794 C ASN A 120 6.484 7.564 4.876 1.00 64.03 C ATOM 1795 O ASN A 120 6.959 6.494 4.490 1.00 34.13 O ATOM 1796 CB ASN A 120 7.967 9.551 5.284 1.00 10.23 C ATOM 1797 CG ASN A 120 8.459 10.910 4.816 1.00 2.14 C ATOM 1798 OD1 ASN A 120 8.557 11.180 3.625 1.00 33.42 O ATOM 1799 ND2 ASN A 120 8.770 11.782 5.755 1.00 72.11 N ATOM 0 H ASN A 120 5.834 10.636 4.653 1.00 50.25 H new ATOM 0 HA ASN A 120 7.485 8.718 3.361 1.00 25.32 H new ATOM 0 HB2 ASN A 120 7.489 9.659 6.258 1.00 10.23 H new ATOM 0 HB3 ASN A 120 8.822 8.888 5.420 1.00 10.23 H new ATOM 0 HD21 ASN A 120 9.103 12.711 5.498 1.00 72.11 H new ATOM 0 HD22 ASN A 120 8.678 11.527 6.738 1.00 72.11 H new ATOM 1806 N ASN A 121 5.523 7.637 5.800 1.00 53.51 N ATOM 1807 CA ASN A 121 4.883 6.436 6.357 1.00 22.41 C ATOM 1808 C ASN A 121 4.283 5.563 5.243 1.00 3.35 C ATOM 1809 O ASN A 121 4.454 4.344 5.237 1.00 15.44 O ATOM 1810 CB ASN A 121 3.799 6.829 7.370 1.00 14.03 C ATOM 1811 CG ASN A 121 4.380 7.509 8.600 1.00 71.51 C ATOM 1812 OD1 ASN A 121 5.426 8.144 8.538 1.00 62.14 O ATOM 1813 ND2 ASN A 121 3.702 7.396 9.724 1.00 62.44 N ATOM 0 H ASN A 121 5.169 8.514 6.181 1.00 53.51 H new ATOM 0 HA ASN A 121 5.648 5.852 6.870 1.00 22.41 H new ATOM 0 HB2 ASN A 121 3.083 7.497 6.892 1.00 14.03 H new ATOM 0 HB3 ASN A 121 3.249 5.938 7.675 1.00 14.03 H new ATOM 0 HD21 ASN A 121 4.045 7.844 10.574 1.00 62.44 H new ATOM 0 HD22 ASN A 121 2.834 6.861 9.744 1.00 62.44 H new ATOM 1820 N LEU A 122 3.584 6.199 4.299 1.00 62.42 N ATOM 1821 CA LEU A 122 3.067 5.498 3.120 1.00 12.32 C ATOM 1822 C LEU A 122 4.196 4.791 2.365 1.00 54.30 C ATOM 1823 O LEU A 122 4.096 3.609 2.055 1.00 54.44 O ATOM 1824 CB LEU A 122 2.346 6.471 2.175 1.00 43.32 C ATOM 1825 CG LEU A 122 0.975 6.971 2.656 1.00 31.23 C ATOM 1826 CD1 LEU A 122 0.388 7.973 1.664 1.00 13.13 C ATOM 1827 CD2 LEU A 122 0.019 5.796 2.860 1.00 13.24 C ATOM 0 H LEU A 122 3.364 7.194 4.327 1.00 62.42 H new ATOM 0 HA LEU A 122 2.354 4.751 3.469 1.00 12.32 H new ATOM 0 HB2 LEU A 122 2.991 7.335 2.011 1.00 43.32 H new ATOM 0 HB3 LEU A 122 2.216 5.982 1.209 1.00 43.32 H new ATOM 0 HG LEU A 122 1.111 7.476 3.612 1.00 31.23 H new ATOM 0 HD11 LEU A 122 -0.583 8.315 2.023 1.00 13.13 H new ATOM 0 HD12 LEU A 122 1.060 8.826 1.568 1.00 13.13 H new ATOM 0 HD13 LEU A 122 0.267 7.495 0.692 1.00 13.13 H new ATOM 0 HD21 LEU A 122 -0.947 6.168 3.201 1.00 13.24 H new ATOM 0 HD22 LEU A 122 -0.109 5.263 1.918 1.00 13.24 H new ATOM 0 HD23 LEU A 122 0.431 5.118 3.607 1.00 13.24 H new ATOM 1839 N LEU A 123 5.275 5.525 2.085 1.00 4.12 N ATOM 1840 CA LEU A 123 6.436 4.966 1.383 1.00 34.13 C ATOM 1841 C LEU A 123 6.899 3.652 2.035 1.00 33.24 C ATOM 1842 O LEU A 123 7.018 2.624 1.365 1.00 12.30 O ATOM 1843 CB LEU A 123 7.585 5.990 1.368 1.00 12.22 C ATOM 1844 CG LEU A 123 8.845 5.566 0.595 1.00 52.43 C ATOM 1845 CD1 LEU A 123 8.524 5.312 -0.875 1.00 61.51 C ATOM 1846 CD2 LEU A 123 9.941 6.623 0.731 1.00 24.11 C ATOM 0 H LEU A 123 5.370 6.510 2.333 1.00 4.12 H new ATOM 0 HA LEU A 123 6.141 4.745 0.357 1.00 34.13 H new ATOM 0 HB2 LEU A 123 7.213 6.920 0.938 1.00 12.22 H new ATOM 0 HB3 LEU A 123 7.868 6.206 2.398 1.00 12.22 H new ATOM 0 HG LEU A 123 9.209 4.634 1.028 1.00 52.43 H new ATOM 0 HD11 LEU A 123 9.432 5.014 -1.399 1.00 61.51 H new ATOM 0 HD12 LEU A 123 7.782 4.517 -0.953 1.00 61.51 H new ATOM 0 HD13 LEU A 123 8.129 6.223 -1.324 1.00 61.51 H new ATOM 0 HD21 LEU A 123 10.824 6.305 0.177 1.00 24.11 H new ATOM 0 HD22 LEU A 123 9.584 7.571 0.330 1.00 24.11 H new ATOM 0 HD23 LEU A 123 10.198 6.748 1.783 1.00 24.11 H new ATOM 1858 N SER A 124 7.130 3.690 3.347 1.00 14.02 N ATOM 1859 CA SER A 124 7.555 2.498 4.100 1.00 25.34 C ATOM 1860 C SER A 124 6.536 1.350 3.983 1.00 41.21 C ATOM 1861 O SER A 124 6.898 0.215 3.661 1.00 42.35 O ATOM 1862 CB SER A 124 7.769 2.842 5.581 1.00 61.43 C ATOM 1863 OG SER A 124 8.172 1.699 6.323 1.00 2.21 O ATOM 0 H SER A 124 7.031 4.531 3.916 1.00 14.02 H new ATOM 0 HA SER A 124 8.496 2.164 3.662 1.00 25.34 H new ATOM 0 HB2 SER A 124 8.526 3.621 5.670 1.00 61.43 H new ATOM 0 HB3 SER A 124 6.847 3.244 6.000 1.00 61.43 H new ATOM 0 HG SER A 124 8.302 1.948 7.262 1.00 2.21 H new ATOM 1869 N CYS A 125 5.261 1.653 4.239 1.00 2.54 N ATOM 1870 CA CYS A 125 4.189 0.646 4.172 1.00 40.03 C ATOM 1871 C CYS A 125 4.094 0.009 2.774 1.00 14.12 C ATOM 1872 O CYS A 125 4.016 -1.211 2.641 1.00 14.14 O ATOM 1873 CB CYS A 125 2.837 1.272 4.553 1.00 72.21 C ATOM 1874 SG CYS A 125 2.777 1.956 6.229 1.00 40.13 S ATOM 0 H CYS A 125 4.942 2.587 4.495 1.00 2.54 H new ATOM 0 HA CYS A 125 4.436 -0.140 4.886 1.00 40.03 H new ATOM 0 HB2 CYS A 125 2.603 2.064 3.842 1.00 72.21 H new ATOM 0 HB3 CYS A 125 2.059 0.515 4.454 1.00 72.21 H new ATOM 0 HG CYS A 125 3.431 3.079 6.263 1.00 40.13 H new ATOM 1880 N VAL A 126 4.109 0.842 1.736 1.00 42.21 N ATOM 1881 CA VAL A 126 4.014 0.366 0.349 1.00 72.44 C ATOM 1882 C VAL A 126 5.199 -0.536 -0.025 1.00 31.21 C ATOM 1883 O VAL A 126 5.020 -1.606 -0.618 1.00 60.23 O ATOM 1884 CB VAL A 126 3.936 1.551 -0.642 1.00 23.31 C ATOM 1885 CG1 VAL A 126 3.881 1.056 -2.087 1.00 21.53 C ATOM 1886 CG2 VAL A 126 2.728 2.426 -0.327 1.00 4.54 C ATOM 0 H VAL A 126 4.186 1.855 1.825 1.00 42.21 H new ATOM 0 HA VAL A 126 3.098 -0.220 0.280 1.00 72.44 H new ATOM 0 HB VAL A 126 4.839 2.150 -0.528 1.00 23.31 H new ATOM 0 HG11 VAL A 126 3.827 1.910 -2.762 1.00 21.53 H new ATOM 0 HG12 VAL A 126 4.777 0.476 -2.307 1.00 21.53 H new ATOM 0 HG13 VAL A 126 3.000 0.429 -2.223 1.00 21.53 H new ATOM 0 HG21 VAL A 126 2.686 3.256 -1.032 1.00 4.54 H new ATOM 0 HG22 VAL A 126 1.817 1.833 -0.410 1.00 4.54 H new ATOM 0 HG23 VAL A 126 2.816 2.816 0.687 1.00 4.54 H new ATOM 1896 N GLN A 127 6.411 -0.095 0.313 1.00 3.14 N ATOM 1897 CA GLN A 127 7.615 -0.898 0.079 1.00 73.44 C ATOM 1898 C GLN A 127 7.515 -2.254 0.797 1.00 30.31 C ATOM 1899 O GLN A 127 7.827 -3.295 0.221 1.00 72.33 O ATOM 1900 CB GLN A 127 8.864 -0.138 0.549 1.00 61.04 C ATOM 1901 CG GLN A 127 9.139 1.139 -0.240 1.00 64.02 C ATOM 1902 CD GLN A 127 10.285 1.955 0.334 1.00 51.12 C ATOM 1903 OE1 GLN A 127 10.549 1.930 1.534 1.00 73.02 O ATOM 1904 NE2 GLN A 127 10.973 2.690 -0.513 1.00 22.25 N ATOM 0 H GLN A 127 6.587 0.811 0.748 1.00 3.14 H new ATOM 0 HA GLN A 127 7.699 -1.083 -0.992 1.00 73.44 H new ATOM 0 HB2 GLN A 127 8.749 0.114 1.603 1.00 61.04 H new ATOM 0 HB3 GLN A 127 9.729 -0.796 0.471 1.00 61.04 H new ATOM 0 HG2 GLN A 127 9.367 0.879 -1.274 1.00 64.02 H new ATOM 0 HG3 GLN A 127 8.237 1.751 -0.257 1.00 64.02 H new ATOM 0 HE21 GLN A 127 10.729 2.690 -1.503 1.00 22.25 H new ATOM 0 HE22 GLN A 127 11.750 3.260 -0.179 1.00 22.25 H new ATOM 1913 N GLU A 128 7.056 -2.229 2.050 1.00 34.20 N ATOM 1914 CA GLU A 128 6.850 -3.455 2.831 1.00 71.21 C ATOM 1915 C GLU A 128 5.841 -4.396 2.140 1.00 5.14 C ATOM 1916 O GLU A 128 6.144 -5.557 1.868 1.00 62.10 O ATOM 1917 CB GLU A 128 6.352 -3.093 4.239 1.00 61.01 C ATOM 1918 CG GLU A 128 6.198 -4.285 5.178 1.00 12.14 C ATOM 1919 CD GLU A 128 7.524 -4.952 5.514 1.00 41.35 C ATOM 1920 OE1 GLU A 128 8.321 -4.356 6.268 1.00 73.54 O ATOM 1921 OE2 GLU A 128 7.774 -6.077 5.038 1.00 64.22 O ATOM 0 H GLU A 128 6.819 -1.371 2.549 1.00 34.20 H new ATOM 0 HA GLU A 128 7.803 -3.979 2.903 1.00 71.21 H new ATOM 0 HB2 GLU A 128 7.047 -2.382 4.685 1.00 61.01 H new ATOM 0 HB3 GLU A 128 5.390 -2.587 4.152 1.00 61.01 H new ATOM 0 HG2 GLU A 128 5.720 -3.955 6.100 1.00 12.14 H new ATOM 0 HG3 GLU A 128 5.534 -5.018 4.720 1.00 12.14 H new ATOM 1928 N ILE A 129 4.650 -3.872 1.840 1.00 54.23 N ATOM 1929 CA ILE A 129 3.594 -4.651 1.175 1.00 54.14 C ATOM 1930 C ILE A 129 4.090 -5.290 -0.134 1.00 42.32 C ATOM 1931 O ILE A 129 3.968 -6.502 -0.336 1.00 32.45 O ATOM 1932 CB ILE A 129 2.354 -3.764 0.872 1.00 25.24 C ATOM 1933 CG1 ILE A 129 1.725 -3.253 2.181 1.00 73.23 C ATOM 1934 CG2 ILE A 129 1.321 -4.530 0.041 1.00 30.53 C ATOM 1935 CD1 ILE A 129 0.536 -2.335 1.978 1.00 15.04 C ATOM 0 H ILE A 129 4.389 -2.908 2.047 1.00 54.23 H new ATOM 0 HA ILE A 129 3.312 -5.447 1.865 1.00 54.14 H new ATOM 0 HB ILE A 129 2.686 -2.905 0.288 1.00 25.24 H new ATOM 0 HG12 ILE A 129 1.412 -4.109 2.780 1.00 73.23 H new ATOM 0 HG13 ILE A 129 2.486 -2.724 2.755 1.00 73.23 H new ATOM 0 HG21 ILE A 129 0.464 -3.887 -0.157 1.00 30.53 H new ATOM 0 HG22 ILE A 129 1.770 -4.837 -0.904 1.00 30.53 H new ATOM 0 HG23 ILE A 129 0.993 -5.412 0.591 1.00 30.53 H new ATOM 0 HD11 ILE A 129 0.151 -2.019 2.947 1.00 15.04 H new ATOM 0 HD12 ILE A 129 0.846 -1.459 1.408 1.00 15.04 H new ATOM 0 HD13 ILE A 129 -0.245 -2.866 1.433 1.00 15.04 H new ATOM 1947 N SER A 130 4.655 -4.468 -1.019 1.00 42.11 N ATOM 1948 CA SER A 130 5.165 -4.952 -2.311 1.00 64.11 C ATOM 1949 C SER A 130 6.278 -5.995 -2.126 1.00 61.14 C ATOM 1950 O SER A 130 6.373 -6.955 -2.893 1.00 30.41 O ATOM 1951 CB SER A 130 5.672 -3.783 -3.173 1.00 70.52 C ATOM 1952 OG SER A 130 6.709 -3.061 -2.525 1.00 35.03 O ATOM 0 H SER A 130 4.773 -3.466 -0.869 1.00 42.11 H new ATOM 0 HA SER A 130 4.334 -5.434 -2.826 1.00 64.11 H new ATOM 0 HB2 SER A 130 6.036 -4.166 -4.126 1.00 70.52 H new ATOM 0 HB3 SER A 130 4.844 -3.110 -3.395 1.00 70.52 H new ATOM 0 HG SER A 130 6.326 -2.505 -1.815 1.00 35.03 H new ATOM 1958 N ASP A 131 7.107 -5.818 -1.097 1.00 10.13 N ATOM 1959 CA ASP A 131 8.174 -6.776 -0.796 1.00 64.40 C ATOM 1960 C ASP A 131 7.592 -8.120 -0.321 1.00 45.12 C ATOM 1961 O ASP A 131 8.080 -9.185 -0.698 1.00 62.50 O ATOM 1962 CB ASP A 131 9.123 -6.196 0.259 1.00 0.03 C ATOM 1963 CG ASP A 131 10.397 -7.009 0.410 1.00 35.53 C ATOM 1964 OD1 ASP A 131 11.349 -6.782 -0.364 1.00 51.42 O ATOM 1965 OD2 ASP A 131 10.460 -7.870 1.307 1.00 61.55 O ATOM 0 H ASP A 131 7.062 -5.023 -0.459 1.00 10.13 H new ATOM 0 HA ASP A 131 8.737 -6.960 -1.711 1.00 64.40 H new ATOM 0 HB2 ASP A 131 9.380 -5.172 -0.013 1.00 0.03 H new ATOM 0 HB3 ASP A 131 8.609 -6.151 1.219 1.00 0.03 H new ATOM 1970 N VAL A 132 6.538 -8.064 0.499 1.00 34.20 N ATOM 1971 CA VAL A 132 5.844 -9.278 0.949 1.00 33.23 C ATOM 1972 C VAL A 132 5.287 -10.067 -0.248 1.00 12.00 C ATOM 1973 O VAL A 132 5.344 -11.297 -0.278 1.00 25.44 O ATOM 1974 CB VAL A 132 4.686 -8.956 1.930 1.00 52.15 C ATOM 1975 CG1 VAL A 132 3.957 -10.232 2.348 1.00 4.43 C ATOM 1976 CG2 VAL A 132 5.202 -8.210 3.158 1.00 72.33 C ATOM 0 H VAL A 132 6.147 -7.196 0.864 1.00 34.20 H new ATOM 0 HA VAL A 132 6.583 -9.883 1.474 1.00 33.23 H new ATOM 0 HB VAL A 132 3.978 -8.310 1.411 1.00 52.15 H new ATOM 0 HG11 VAL A 132 3.149 -9.981 3.036 1.00 4.43 H new ATOM 0 HG12 VAL A 132 3.544 -10.720 1.466 1.00 4.43 H new ATOM 0 HG13 VAL A 132 4.657 -10.906 2.841 1.00 4.43 H new ATOM 0 HG21 VAL A 132 4.371 -7.996 3.830 1.00 72.33 H new ATOM 0 HG22 VAL A 132 5.937 -8.826 3.675 1.00 72.33 H new ATOM 0 HG23 VAL A 132 5.667 -7.274 2.847 1.00 72.33 H new ATOM 1986 N VAL A 133 4.760 -9.347 -1.236 1.00 5.51 N ATOM 1987 CA VAL A 133 4.256 -9.968 -2.470 1.00 11.50 C ATOM 1988 C VAL A 133 5.372 -10.720 -3.220 1.00 71.43 C ATOM 1989 O VAL A 133 5.110 -11.669 -3.960 1.00 3.21 O ATOM 1990 CB VAL A 133 3.629 -8.904 -3.409 1.00 11.33 C ATOM 1991 CG1 VAL A 133 3.135 -9.525 -4.716 1.00 20.21 C ATOM 1992 CG2 VAL A 133 2.494 -8.175 -2.701 1.00 74.33 C ATOM 0 H VAL A 133 4.669 -8.331 -1.211 1.00 5.51 H new ATOM 0 HA VAL A 133 3.489 -10.685 -2.177 1.00 11.50 H new ATOM 0 HB VAL A 133 4.408 -8.184 -3.661 1.00 11.33 H new ATOM 0 HG11 VAL A 133 2.703 -8.749 -5.347 1.00 20.21 H new ATOM 0 HG12 VAL A 133 3.972 -9.991 -5.236 1.00 20.21 H new ATOM 0 HG13 VAL A 133 2.378 -10.278 -4.498 1.00 20.21 H new ATOM 0 HG21 VAL A 133 2.064 -7.432 -3.372 1.00 74.33 H new ATOM 0 HG22 VAL A 133 1.725 -8.892 -2.413 1.00 74.33 H new ATOM 0 HG23 VAL A 133 2.880 -7.679 -1.810 1.00 74.33 H new ATOM 2002 N GLN A 134 6.616 -10.293 -3.018 1.00 23.33 N ATOM 2003 CA GLN A 134 7.773 -10.915 -3.674 1.00 71.20 C ATOM 2004 C GLN A 134 8.302 -12.128 -2.883 1.00 20.53 C ATOM 2005 O GLN A 134 9.227 -12.811 -3.324 1.00 73.00 O ATOM 2006 CB GLN A 134 8.890 -9.874 -3.845 1.00 75.43 C ATOM 2007 CG GLN A 134 8.456 -8.639 -4.625 1.00 4.02 C ATOM 2008 CD GLN A 134 9.538 -7.579 -4.715 1.00 3.41 C ATOM 2009 OE1 GLN A 134 10.372 -7.444 -3.825 1.00 22.03 O ATOM 2010 NE2 GLN A 134 9.530 -6.811 -5.782 1.00 23.44 N ATOM 0 H GLN A 134 6.854 -9.515 -2.403 1.00 23.33 H new ATOM 0 HA GLN A 134 7.449 -11.277 -4.650 1.00 71.20 H new ATOM 0 HB2 GLN A 134 9.243 -9.567 -2.861 1.00 75.43 H new ATOM 0 HB3 GLN A 134 9.734 -10.339 -4.356 1.00 75.43 H new ATOM 0 HG2 GLN A 134 8.164 -8.937 -5.632 1.00 4.02 H new ATOM 0 HG3 GLN A 134 7.574 -8.209 -4.151 1.00 4.02 H new ATOM 0 HE21 GLN A 134 8.823 -6.949 -6.504 1.00 23.44 H new ATOM 0 HE22 GLN A 134 10.231 -6.077 -5.888 1.00 23.44 H new ATOM 2019 N ARG A 135 7.708 -12.397 -1.719 1.00 10.45 N ATOM 2020 CA ARG A 135 8.132 -13.519 -0.863 1.00 2.00 C ATOM 2021 C ARG A 135 7.267 -14.771 -1.110 1.00 20.45 C ATOM 2022 O ARG A 135 6.107 -14.803 -0.645 1.00 36.75 O ATOM 2023 CB ARG A 135 8.058 -13.103 0.614 1.00 42.24 C ATOM 2024 CG ARG A 135 8.791 -11.802 0.917 1.00 12.35 C ATOM 2025 CD ARG A 135 8.585 -11.352 2.358 1.00 61.40 C ATOM 2026 NE ARG A 135 8.997 -9.963 2.550 1.00 71.55 N ATOM 2027 CZ ARG A 135 8.660 -9.225 3.574 1.00 52.21 C ATOM 2028 NH1 ARG A 135 7.985 -9.725 4.562 1.00 70.22 N ATOM 2029 NH2 ARG A 135 9.020 -7.984 3.609 1.00 22.45 N ATOM 2030 OXT ARG A 135 7.747 -15.716 -1.777 1.00 36.75 O ATOM 0 H ARG A 135 6.930 -11.855 -1.342 1.00 10.45 H new ATOM 0 HA ARG A 135 9.162 -13.772 -1.116 1.00 2.00 H new ATOM 0 HB2 ARG A 135 7.012 -12.997 0.901 1.00 42.24 H new ATOM 0 HB3 ARG A 135 8.478 -13.899 1.229 1.00 42.24 H new ATOM 0 HG2 ARG A 135 9.856 -11.934 0.727 1.00 12.35 H new ATOM 0 HG3 ARG A 135 8.441 -11.023 0.240 1.00 12.35 H new ATOM 0 HD2 ARG A 135 7.535 -11.462 2.628 1.00 61.40 H new ATOM 0 HD3 ARG A 135 9.155 -11.997 3.027 1.00 61.40 H new ATOM 0 HE ARG A 135 9.589 -9.540 1.835 1.00 71.55 H new ATOM 0 HH11 ARG A 135 7.710 -10.707 4.546 1.00 70.22 H new ATOM 0 HH12 ARG A 135 7.729 -9.136 5.355 1.00 70.22 H new ATOM 0 HH21 ARG A 135 9.563 -7.589 2.841 1.00 22.45 H new ATOM 0 HH22 ARG A 135 8.761 -7.400 4.404 1.00 22.45 H new