USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1072 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 51 THR OG1 : rot 127:sc= -0.108! USER MOD Set 1.2: A 97 MET CE :methyl -165:sc= -1.05 (180deg=-0.317) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0.396 USER MOD Set 2.2: A 32 THR OG1 : rot 142:sc= -2.67 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -4.52 K(o=-4.5,f=-5.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 23 SER OG : rot 52:sc= 0.192 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 31 SER OG : rot -15:sc= 0.223 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -5.53! C(o=-5.5!,f=-7.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 140:sc= -0.0278 USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.0668 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.43! C(o=-2.4!,f=-4.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -30:sc= -1.59 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00844) USER MOD Single : A 58 MET CE :methyl -140:sc= -6.46! (180deg=-10.5!) USER MOD Single : A 59 MET CE :methyl -144:sc= -3.32 (180deg=-5.11!) USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= 0.117 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 78 ASN : amide:sc= -2.91 K(o=-2.9,f=-5.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -7.65! C(o=-7.6!,f=-6.7!) USER MOD Single : A 88 MET CE :methyl 180:sc= -2! (180deg=-2!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.335 USER MOD Single : A 92 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.3!) USER MOD Single : A 93 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 99 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.28) USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= 0.555 (180deg=0.0517) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -145:sc= -1.08 USER MOD Single : A 105 GLN : amide:sc= -12.8! C(o=-13!,f=-9.3!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 109 SER OG : rot 180:sc= -0.967 USER MOD Single : A 111 TYR OH : rot 116:sc= -4.19! USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= -0.404 (180deg=-1.8) USER MOD Single : B 666 SER OG : rot 180:sc= 0 USER MOD Single : B 675 THR OG1 : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 677 SER OG : rot 10:sc= 1.14 USER MOD Single : B 678 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.1!) USER MOD Single : B 680 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.951 -17.296 -6.797 1.00 0.00 N ATOM 2 CA PRO A 1 -6.563 -16.044 -6.276 1.00 0.00 C ATOM 3 C PRO A 1 -5.626 -15.310 -5.316 1.00 0.00 C ATOM 4 O PRO A 1 -6.056 -14.793 -4.285 1.00 0.00 O ATOM 5 CB PRO A 1 -7.862 -16.426 -5.571 1.00 0.00 C ATOM 6 CG PRO A 1 -7.871 -17.918 -5.592 1.00 0.00 C ATOM 7 CD PRO A 1 -6.995 -18.333 -6.751 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.147 -17.568 -6.232 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.614 -17.164 -7.751 1.00 0.00 H new ATOM 0 HA PRO A 1 -6.757 -15.360 -7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -7.888 -16.043 -4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.730 -16.016 -6.088 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -7.491 -18.322 -4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -8.885 -18.299 -5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -6.567 -19.323 -6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -7.559 -18.374 -7.683 1.00 0.00 H new ATOM 17 N SER A 2 -4.345 -15.270 -5.664 1.00 0.00 N ATOM 18 CA SER A 2 -3.348 -14.601 -4.835 1.00 0.00 C ATOM 19 C SER A 2 -2.911 -13.284 -5.468 1.00 0.00 C ATOM 20 O SER A 2 -2.684 -12.294 -4.772 1.00 0.00 O ATOM 21 CB SER A 2 -2.135 -15.510 -4.629 1.00 0.00 C ATOM 22 OG SER A 2 -2.527 -16.865 -4.500 1.00 0.00 O ATOM 0 H SER A 2 -3.972 -15.693 -6.514 1.00 0.00 H new ATOM 0 HA SER A 2 -3.800 -14.385 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.451 -15.405 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.592 -15.199 -3.737 1.00 0.00 H new ATOM 0 HG SER A 2 -1.733 -17.424 -4.371 1.00 0.00 H new ATOM 28 N HIS A 3 -2.801 -13.276 -6.793 1.00 0.00 N ATOM 29 CA HIS A 3 -2.394 -12.080 -7.525 1.00 0.00 C ATOM 30 C HIS A 3 -3.598 -11.198 -7.859 1.00 0.00 C ATOM 31 O HIS A 3 -3.531 -10.364 -8.761 1.00 0.00 O ATOM 32 CB HIS A 3 -1.670 -12.474 -8.814 1.00 0.00 C ATOM 33 CG HIS A 3 -0.639 -13.542 -8.617 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.636 -14.725 -9.327 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.428 -13.601 -7.786 1.00 0.00 C ATOM 36 CE1 HIS A 3 0.388 -15.465 -8.940 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.048 -14.806 -8.006 1.00 0.00 N ATOM 0 H HIS A 3 -2.988 -14.086 -7.383 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.718 -11.510 -6.887 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.404 -12.818 -9.543 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.191 -11.591 -9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.734 -12.842 -7.082 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.642 -16.443 -9.323 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.884 -15.138 -7.525 1.00 0.00 H new ATOM 46 N SER A 4 -4.698 -11.377 -7.127 1.00 0.00 N ATOM 47 CA SER A 4 -5.901 -10.584 -7.356 1.00 0.00 C ATOM 48 C SER A 4 -6.775 -10.537 -6.107 1.00 0.00 C ATOM 49 O SER A 4 -6.977 -11.546 -5.432 1.00 0.00 O ATOM 50 CB SER A 4 -6.701 -11.136 -8.537 1.00 0.00 C ATOM 51 OG SER A 4 -6.797 -12.549 -8.474 1.00 0.00 O ATOM 0 H SER A 4 -4.779 -12.061 -6.375 1.00 0.00 H new ATOM 0 HA SER A 4 -5.585 -9.568 -7.593 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.700 -10.700 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.224 -10.842 -9.472 1.00 0.00 H new ATOM 0 HG SER A 4 -7.314 -12.876 -9.239 1.00 0.00 H new ATOM 57 N GLY A 5 -7.287 -9.347 -5.815 1.00 0.00 N ATOM 58 CA GLY A 5 -8.133 -9.150 -4.657 1.00 0.00 C ATOM 59 C GLY A 5 -8.740 -7.768 -4.667 1.00 0.00 C ATOM 60 O GLY A 5 -8.070 -6.801 -5.020 1.00 0.00 O ATOM 0 H GLY A 5 -7.127 -8.506 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.924 -9.900 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.550 -9.290 -3.747 1.00 0.00 H new ATOM 64 N ALA A 6 -10.011 -7.667 -4.314 1.00 0.00 N ATOM 65 CA ALA A 6 -10.692 -6.382 -4.326 1.00 0.00 C ATOM 66 C ALA A 6 -10.401 -5.557 -3.076 1.00 0.00 C ATOM 67 O ALA A 6 -10.280 -6.092 -1.974 1.00 0.00 O ATOM 68 CB ALA A 6 -12.181 -6.594 -4.516 1.00 0.00 C ATOM 0 H ALA A 6 -10.589 -8.453 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.305 -5.805 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.688 -5.629 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.358 -7.105 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.569 -7.201 -3.698 1.00 0.00 H new ATOM 74 N ALA A 7 -10.278 -4.243 -3.270 1.00 0.00 N ATOM 75 CA ALA A 7 -9.985 -3.323 -2.174 1.00 0.00 C ATOM 76 C ALA A 7 -10.468 -1.907 -2.491 1.00 0.00 C ATOM 77 O ALA A 7 -10.878 -1.617 -3.616 1.00 0.00 O ATOM 78 CB ALA A 7 -8.493 -3.317 -1.886 1.00 0.00 C ATOM 0 H ALA A 7 -10.377 -3.792 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.521 -3.668 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.283 -2.628 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.172 -4.321 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.952 -2.998 -2.777 1.00 0.00 H new ATOM 84 N ILE A 8 -10.420 -1.030 -1.489 1.00 0.00 N ATOM 85 CA ILE A 8 -10.855 0.358 -1.653 1.00 0.00 C ATOM 86 C ILE A 8 -9.664 1.292 -1.837 1.00 0.00 C ATOM 87 O ILE A 8 -8.755 1.318 -1.009 1.00 0.00 O ATOM 88 CB ILE A 8 -11.668 0.852 -0.430 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.933 0.004 -0.193 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.041 2.322 -0.596 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.219 -1.033 -1.260 1.00 0.00 C ATOM 0 H ILE A 8 -10.084 -1.256 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.485 0.377 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.031 0.741 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.838 -0.502 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.791 0.672 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.612 2.653 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.134 2.920 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.644 2.445 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.128 -1.578 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.351 -0.538 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.384 -1.730 -1.323 1.00 0.00 H new ATOM 103 N PHE A 9 -9.683 2.076 -2.910 1.00 0.00 N ATOM 104 CA PHE A 9 -8.604 3.022 -3.168 1.00 0.00 C ATOM 105 C PHE A 9 -9.106 4.463 -3.154 1.00 0.00 C ATOM 106 O PHE A 9 -9.793 4.905 -4.075 1.00 0.00 O ATOM 107 CB PHE A 9 -7.933 2.740 -4.508 1.00 0.00 C ATOM 108 CG PHE A 9 -6.866 3.739 -4.848 1.00 0.00 C ATOM 109 CD1 PHE A 9 -5.731 3.851 -4.064 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.002 4.567 -5.949 1.00 0.00 C ATOM 111 CE1 PHE A 9 -4.748 4.771 -4.373 1.00 0.00 C ATOM 112 CE2 PHE A 9 -6.023 5.490 -6.264 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.893 5.591 -5.474 1.00 0.00 C ATOM 0 H PHE A 9 -10.426 2.076 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.876 2.894 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.496 1.742 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.688 2.741 -5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.613 3.212 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.883 4.491 -6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.867 4.849 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.140 6.131 -7.125 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.125 6.310 -5.718 1.00 0.00 H new ATOM 123 N GLU A 10 -8.732 5.191 -2.113 1.00 0.00 N ATOM 124 CA GLU A 10 -9.112 6.593 -1.977 1.00 0.00 C ATOM 125 C GLU A 10 -10.627 6.773 -1.977 1.00 0.00 C ATOM 126 O GLU A 10 -11.173 7.536 -2.774 1.00 0.00 O ATOM 127 CB GLU A 10 -8.489 7.419 -3.105 1.00 0.00 C ATOM 128 CG GLU A 10 -7.000 7.666 -2.927 1.00 0.00 C ATOM 129 CD GLU A 10 -6.348 8.224 -4.177 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.071 8.804 -5.014 1.00 0.00 O ATOM 131 OE2 GLU A 10 -5.116 8.083 -4.318 1.00 0.00 O ATOM 0 H GLU A 10 -8.163 4.834 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.735 6.944 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.653 6.906 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.003 8.378 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.847 8.360 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.511 6.731 -2.653 1.00 0.00 H new ATOM 138 N LYS A 11 -11.297 6.077 -1.066 1.00 0.00 N ATOM 139 CA LYS A 11 -12.750 6.164 -0.935 1.00 0.00 C ATOM 140 C LYS A 11 -13.492 5.476 -2.085 1.00 0.00 C ATOM 141 O LYS A 11 -14.716 5.353 -2.037 1.00 0.00 O ATOM 142 CB LYS A 11 -13.193 7.629 -0.830 1.00 0.00 C ATOM 143 CG LYS A 11 -13.682 8.013 0.556 1.00 0.00 C ATOM 144 CD LYS A 11 -13.662 9.519 0.756 1.00 0.00 C ATOM 145 CE LYS A 11 -12.255 10.026 1.027 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.904 9.944 2.473 1.00 0.00 N ATOM 0 H LYS A 11 -10.855 5.441 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.012 5.634 -0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.358 8.274 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.989 7.813 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.695 7.639 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.055 7.536 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.062 10.010 -0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.313 9.785 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.541 9.442 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.170 11.059 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.937 10.299 2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.570 10.521 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.960 8.954 2.788 1.00 0.00 H new ATOM 160 N VAL A 12 -12.773 5.015 -3.109 1.00 0.00 N ATOM 161 CA VAL A 12 -13.421 4.341 -4.223 1.00 0.00 C ATOM 162 C VAL A 12 -13.255 2.844 -4.106 1.00 0.00 C ATOM 163 O VAL A 12 -12.269 2.352 -3.557 1.00 0.00 O ATOM 164 CB VAL A 12 -12.887 4.813 -5.590 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.303 3.858 -6.708 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.402 6.206 -5.877 1.00 0.00 C ATOM 0 H VAL A 12 -11.759 5.096 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.478 4.601 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.798 4.825 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.911 4.219 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.904 2.864 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.391 3.809 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.025 6.541 -6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.492 6.194 -5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.061 6.888 -5.098 1.00 0.00 H new ATOM 176 N SER A 13 -14.229 2.125 -4.625 1.00 0.00 N ATOM 177 CA SER A 13 -14.194 0.675 -4.577 1.00 0.00 C ATOM 178 C SER A 13 -13.871 0.092 -5.944 1.00 0.00 C ATOM 179 O SER A 13 -14.282 0.626 -6.974 1.00 0.00 O ATOM 180 CB SER A 13 -15.524 0.119 -4.072 1.00 0.00 C ATOM 181 OG SER A 13 -16.572 0.390 -4.987 1.00 0.00 O ATOM 0 H SER A 13 -15.052 2.517 -5.083 1.00 0.00 H new ATOM 0 HA SER A 13 -13.406 0.384 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.438 -0.957 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.761 0.558 -3.103 1.00 0.00 H new ATOM 0 HG SER A 13 -17.412 0.022 -4.641 1.00 0.00 H new ATOM 187 N GLY A 14 -13.132 -1.006 -5.941 1.00 0.00 N ATOM 188 CA GLY A 14 -12.758 -1.651 -7.180 1.00 0.00 C ATOM 189 C GLY A 14 -12.092 -2.988 -6.945 1.00 0.00 C ATOM 190 O GLY A 14 -12.479 -3.734 -6.047 1.00 0.00 O ATOM 0 H GLY A 14 -12.784 -1.463 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.645 -1.792 -7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.082 -1.002 -7.737 1.00 0.00 H new ATOM 194 N ILE A 15 -11.085 -3.288 -7.753 1.00 0.00 N ATOM 195 CA ILE A 15 -10.360 -4.539 -7.631 1.00 0.00 C ATOM 196 C ILE A 15 -8.864 -4.316 -7.651 1.00 0.00 C ATOM 197 O ILE A 15 -8.344 -3.594 -8.499 1.00 0.00 O ATOM 198 CB ILE A 15 -10.697 -5.518 -8.772 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.211 -5.583 -9.012 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.127 -6.902 -8.468 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.031 -5.808 -7.759 1.00 0.00 C ATOM 0 H ILE A 15 -10.753 -2.679 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.668 -4.965 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.235 -5.152 -9.689 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.533 -4.653 -9.481 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.421 -6.386 -9.719 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.373 -7.584 -9.282 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.044 -6.835 -8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.557 -7.277 -7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.089 -5.841 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.740 -6.752 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.854 -4.993 -7.057 1.00 0.00 H new ATOM 213 N ILE A 16 -8.171 -4.997 -6.757 1.00 0.00 N ATOM 214 CA ILE A 16 -6.729 -4.929 -6.714 1.00 0.00 C ATOM 215 C ILE A 16 -6.224 -6.182 -7.392 1.00 0.00 C ATOM 216 O ILE A 16 -6.819 -7.249 -7.245 1.00 0.00 O ATOM 217 CB ILE A 16 -6.168 -4.846 -5.269 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.599 -3.454 -4.994 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.093 -5.903 -5.030 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.028 -3.303 -3.600 1.00 0.00 C ATOM 0 H ILE A 16 -8.588 -5.604 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.394 -4.020 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.993 -5.036 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.819 -3.238 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.385 -2.713 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.720 -5.819 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.519 -6.895 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.271 -5.751 -5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.642 -2.292 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.811 -3.488 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.220 -4.021 -3.458 1.00 0.00 H new ATOM 232 N ALA A 17 -5.161 -6.067 -8.154 1.00 0.00 N ATOM 233 CA ALA A 17 -4.654 -7.224 -8.852 1.00 0.00 C ATOM 234 C ALA A 17 -3.158 -7.122 -9.083 1.00 0.00 C ATOM 235 O ALA A 17 -2.668 -6.203 -9.738 1.00 0.00 O ATOM 236 CB ALA A 17 -5.432 -7.422 -10.142 1.00 0.00 C ATOM 0 H ALA A 17 -4.640 -5.203 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.801 -8.108 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.048 -8.296 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.487 -7.572 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.320 -6.541 -10.773 1.00 0.00 H new ATOM 242 N ILE A 18 -2.445 -8.076 -8.508 1.00 0.00 N ATOM 243 CA ILE A 18 -0.997 -8.125 -8.596 1.00 0.00 C ATOM 244 C ILE A 18 -0.520 -8.751 -9.897 1.00 0.00 C ATOM 245 O ILE A 18 -1.109 -9.709 -10.399 1.00 0.00 O ATOM 246 CB ILE A 18 -0.408 -8.921 -7.421 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.955 -8.388 -6.095 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.111 -8.860 -7.451 1.00 0.00 C ATOM 249 CD1 ILE A 18 -0.323 -9.024 -4.880 1.00 0.00 C ATOM 0 H ILE A 18 -2.855 -8.838 -7.967 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.651 -7.092 -8.561 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.706 -9.965 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.797 -7.310 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.032 -8.554 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.515 -9.428 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.474 -9.286 -8.386 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.435 -7.822 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.760 -8.597 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.503 -10.099 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.751 -8.836 -4.888 1.00 0.00 H new ATOM 261 N ASN A 19 0.571 -8.209 -10.425 1.00 0.00 N ATOM 262 CA ASN A 19 1.161 -8.713 -11.652 1.00 0.00 C ATOM 263 C ASN A 19 2.588 -9.177 -11.388 1.00 0.00 C ATOM 264 O ASN A 19 3.528 -8.389 -11.450 1.00 0.00 O ATOM 265 CB ASN A 19 1.151 -7.632 -12.735 1.00 0.00 C ATOM 266 CG ASN A 19 0.883 -8.199 -14.115 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.183 -7.983 -14.692 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.853 -8.930 -14.653 1.00 0.00 N ATOM 0 H ASN A 19 1.065 -7.415 -10.017 1.00 0.00 H new ATOM 0 HA ASN A 19 0.570 -9.559 -12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.390 -6.889 -12.496 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.111 -7.115 -12.738 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.730 -9.338 -15.580 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.721 -9.084 -14.139 1.00 0.00 H new ATOM 275 N GLU A 20 2.739 -10.459 -11.082 1.00 0.00 N ATOM 276 CA GLU A 20 4.054 -11.028 -10.799 1.00 0.00 C ATOM 277 C GLU A 20 4.791 -11.394 -12.086 1.00 0.00 C ATOM 278 O GLU A 20 5.914 -11.897 -12.045 1.00 0.00 O ATOM 279 CB GLU A 20 3.926 -12.263 -9.902 1.00 0.00 C ATOM 280 CG GLU A 20 2.762 -13.168 -10.266 1.00 0.00 C ATOM 281 CD GLU A 20 3.062 -14.634 -10.015 1.00 0.00 C ATOM 282 OE1 GLU A 20 3.592 -14.954 -8.931 1.00 0.00 O ATOM 283 OE2 GLU A 20 2.765 -15.461 -10.902 1.00 0.00 O ATOM 0 H GLU A 20 1.969 -11.126 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 20 4.635 -10.268 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.851 -12.837 -9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.812 -11.939 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.885 -12.876 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.512 -13.027 -11.318 1.00 0.00 H new ATOM 290 N ASP A 21 4.160 -11.133 -13.229 1.00 0.00 N ATOM 291 CA ASP A 21 4.767 -11.429 -14.521 1.00 0.00 C ATOM 292 C ASP A 21 5.719 -10.313 -14.949 1.00 0.00 C ATOM 293 O ASP A 21 6.317 -10.376 -16.023 1.00 0.00 O ATOM 294 CB ASP A 21 3.682 -11.620 -15.581 1.00 0.00 C ATOM 295 CG ASP A 21 4.169 -12.426 -16.769 1.00 0.00 C ATOM 296 OD1 ASP A 21 5.045 -11.927 -17.507 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.676 -13.557 -16.962 1.00 0.00 O ATOM 0 H ASP A 21 3.230 -10.718 -13.285 1.00 0.00 H new ATOM 0 HA ASP A 21 5.340 -12.351 -14.422 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.824 -12.121 -15.133 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.338 -10.644 -15.924 1.00 0.00 H new ATOM 302 N VAL A 22 5.856 -9.293 -14.105 1.00 0.00 N ATOM 303 CA VAL A 22 6.736 -8.169 -14.403 1.00 0.00 C ATOM 304 C VAL A 22 8.030 -8.270 -13.602 1.00 0.00 C ATOM 305 O VAL A 22 8.371 -9.333 -13.086 1.00 0.00 O ATOM 306 CB VAL A 22 6.068 -6.799 -14.125 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.920 -5.998 -15.408 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.730 -6.983 -13.461 1.00 0.00 C ATOM 0 H VAL A 22 5.369 -9.223 -13.211 1.00 0.00 H new ATOM 0 HA VAL A 22 6.954 -8.224 -15.469 1.00 0.00 H new ATOM 0 HB VAL A 22 6.714 -6.241 -13.447 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.449 -5.040 -15.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.904 -5.826 -15.845 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.301 -6.552 -16.114 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.279 -6.008 -13.275 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.078 -7.566 -14.111 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.862 -7.508 -12.515 1.00 0.00 H new ATOM 318 N SER A 23 8.741 -7.155 -13.495 1.00 0.00 N ATOM 319 CA SER A 23 9.991 -7.111 -12.752 1.00 0.00 C ATOM 320 C SER A 23 10.528 -5.683 -12.691 1.00 0.00 C ATOM 321 O SER A 23 11.108 -5.190 -13.659 1.00 0.00 O ATOM 322 CB SER A 23 11.027 -8.032 -13.397 1.00 0.00 C ATOM 323 OG SER A 23 11.079 -7.840 -14.800 1.00 0.00 O ATOM 0 H SER A 23 8.471 -6.266 -13.916 1.00 0.00 H new ATOM 0 HA SER A 23 9.797 -7.455 -11.736 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.009 -7.839 -12.964 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.780 -9.071 -13.178 1.00 0.00 H new ATOM 0 HG SER A 23 11.189 -6.886 -14.996 1.00 0.00 H new ATOM 329 N PRO A 24 10.337 -4.987 -11.553 1.00 0.00 N ATOM 330 CA PRO A 24 9.651 -5.530 -10.373 1.00 0.00 C ATOM 331 C PRO A 24 8.150 -5.696 -10.591 1.00 0.00 C ATOM 332 O PRO A 24 7.586 -5.159 -11.544 1.00 0.00 O ATOM 333 CB PRO A 24 9.912 -4.486 -9.278 1.00 0.00 C ATOM 334 CG PRO A 24 10.932 -3.549 -9.839 1.00 0.00 C ATOM 335 CD PRO A 24 10.786 -3.611 -11.330 1.00 0.00 C ATOM 0 HA PRO A 24 10.018 -6.526 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.996 -3.956 -9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.276 -4.959 -8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.770 -2.535 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.937 -3.841 -9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.061 -2.884 -11.696 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.728 -3.405 -11.838 1.00 0.00 H new ATOM 343 N ALA A 25 7.507 -6.441 -9.695 1.00 0.00 N ATOM 344 CA ALA A 25 6.069 -6.677 -9.781 1.00 0.00 C ATOM 345 C ALA A 25 5.290 -5.376 -9.726 1.00 0.00 C ATOM 346 O ALA A 25 5.863 -4.298 -9.567 1.00 0.00 O ATOM 347 CB ALA A 25 5.602 -7.586 -8.657 1.00 0.00 C ATOM 0 H ALA A 25 7.960 -6.892 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 25 5.880 -7.160 -10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.527 -7.747 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.119 -8.543 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.824 -7.121 -7.697 1.00 0.00 H new ATOM 353 N GLU A 26 3.973 -5.490 -9.841 1.00 0.00 N ATOM 354 CA GLU A 26 3.107 -4.325 -9.785 1.00 0.00 C ATOM 355 C GLU A 26 1.659 -4.732 -9.538 1.00 0.00 C ATOM 356 O GLU A 26 1.161 -5.680 -10.145 1.00 0.00 O ATOM 357 CB GLU A 26 3.212 -3.517 -11.080 1.00 0.00 C ATOM 358 CG GLU A 26 2.754 -4.279 -12.313 1.00 0.00 C ATOM 359 CD GLU A 26 3.346 -3.725 -13.594 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.587 -3.628 -13.681 1.00 0.00 O ATOM 361 OE2 GLU A 26 2.567 -3.389 -14.510 1.00 0.00 O ATOM 0 H GLU A 26 3.485 -6.376 -9.973 1.00 0.00 H new ATOM 0 HA GLU A 26 3.435 -3.702 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.616 -2.610 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.247 -3.204 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.033 -5.328 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.666 -4.243 -12.375 1.00 0.00 H new ATOM 368 N LEU A 27 0.980 -3.999 -8.662 1.00 0.00 N ATOM 369 CA LEU A 27 -0.418 -4.281 -8.362 1.00 0.00 C ATOM 370 C LEU A 27 -1.298 -3.197 -8.979 1.00 0.00 C ATOM 371 O LEU A 27 -1.057 -2.006 -8.785 1.00 0.00 O ATOM 372 CB LEU A 27 -0.645 -4.403 -6.839 1.00 0.00 C ATOM 373 CG LEU A 27 -0.987 -3.111 -6.083 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.359 -2.571 -6.462 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.930 -3.363 -4.590 1.00 0.00 C ATOM 0 H LEU A 27 1.373 -3.209 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.692 -5.241 -8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.451 -5.117 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.255 -4.828 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.249 -2.359 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.557 -1.657 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.383 -2.355 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.121 -3.314 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.173 -2.444 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.649 -4.138 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.073 -3.688 -4.314 1.00 0.00 H new ATOM 387 N THR A 28 -2.298 -3.614 -9.747 1.00 0.00 N ATOM 388 CA THR A 28 -3.190 -2.673 -10.419 1.00 0.00 C ATOM 389 C THR A 28 -4.590 -2.674 -9.818 1.00 0.00 C ATOM 390 O THR A 28 -5.341 -3.638 -9.972 1.00 0.00 O ATOM 391 CB THR A 28 -3.273 -3.018 -11.907 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.001 -3.388 -12.408 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.789 -1.879 -12.758 1.00 0.00 C ATOM 0 H THR A 28 -2.512 -4.596 -9.920 1.00 0.00 H new ATOM 0 HA THR A 28 -2.774 -1.675 -10.284 1.00 0.00 H new ATOM 0 HB THR A 28 -3.979 -3.846 -11.972 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.075 -3.606 -13.360 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.823 -2.191 -13.802 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.791 -1.604 -12.429 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.126 -1.020 -12.657 1.00 0.00 H new ATOM 401 N TRP A 29 -4.947 -1.576 -9.157 1.00 0.00 N ATOM 402 CA TRP A 29 -6.256 -1.438 -8.565 1.00 0.00 C ATOM 403 C TRP A 29 -7.203 -0.771 -9.553 1.00 0.00 C ATOM 404 O TRP A 29 -7.031 0.396 -9.894 1.00 0.00 O ATOM 405 CB TRP A 29 -6.183 -0.594 -7.296 1.00 0.00 C ATOM 406 CG TRP A 29 -7.537 -0.237 -6.779 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.278 -0.963 -5.913 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.319 0.910 -7.124 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.482 -0.341 -5.677 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.529 0.814 -6.413 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.111 2.010 -7.960 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.528 1.777 -6.514 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.103 2.964 -8.062 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.298 2.843 -7.342 1.00 0.00 C ATOM 0 H TRP A 29 -4.337 -0.769 -9.023 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.625 -2.432 -8.313 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.635 -1.141 -6.529 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.621 0.318 -7.500 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.969 -1.898 -5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.217 -0.682 -5.058 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.191 2.112 -8.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.451 1.687 -5.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.955 3.817 -8.707 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.055 3.607 -7.442 1.00 0.00 H new ATOM 425 N ARG A 30 -8.200 -1.515 -10.005 1.00 0.00 N ATOM 426 CA ARG A 30 -9.174 -0.981 -10.950 1.00 0.00 C ATOM 427 C ARG A 30 -10.511 -0.734 -10.262 1.00 0.00 C ATOM 428 O ARG A 30 -11.001 -1.588 -9.531 1.00 0.00 O ATOM 429 CB ARG A 30 -9.360 -1.945 -12.124 1.00 0.00 C ATOM 430 CG ARG A 30 -9.764 -1.259 -13.418 1.00 0.00 C ATOM 431 CD ARG A 30 -10.641 -2.156 -14.275 1.00 0.00 C ATOM 432 NE ARG A 30 -10.355 -2.004 -15.699 1.00 0.00 N ATOM 433 CZ ARG A 30 -11.140 -2.468 -16.668 1.00 0.00 C ATOM 434 NH1 ARG A 30 -12.260 -3.116 -16.370 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.806 -2.286 -17.937 1.00 0.00 N ATOM 0 H ARG A 30 -8.358 -2.486 -9.736 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.797 -0.031 -11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.430 -2.490 -12.287 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.119 -2.682 -11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.298 -0.337 -13.190 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.871 -0.980 -13.977 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.490 -3.195 -13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.689 -1.922 -14.089 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.502 -1.513 -15.967 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.522 -3.260 -15.395 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.859 -3.470 -17.116 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.946 -1.790 -18.172 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.408 -2.642 -18.679 1.00 0.00 H new ATOM 449 N SER A 31 -11.102 0.433 -10.500 1.00 0.00 N ATOM 450 CA SER A 31 -12.388 0.769 -9.891 1.00 0.00 C ATOM 451 C SER A 31 -13.384 -0.368 -10.099 1.00 0.00 C ATOM 452 O SER A 31 -13.149 -1.266 -10.907 1.00 0.00 O ATOM 453 CB SER A 31 -12.939 2.062 -10.496 1.00 0.00 C ATOM 454 OG SER A 31 -12.230 3.191 -10.018 1.00 0.00 O ATOM 0 H SER A 31 -10.716 1.158 -11.105 1.00 0.00 H new ATOM 0 HA SER A 31 -12.238 0.916 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.868 2.018 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.996 2.161 -10.249 1.00 0.00 H new ATOM 0 HG SER A 31 -11.707 2.939 -9.228 1.00 0.00 H new ATOM 460 N THR A 32 -14.496 -0.331 -9.373 1.00 0.00 N ATOM 461 CA THR A 32 -15.510 -1.364 -9.497 1.00 0.00 C ATOM 462 C THR A 32 -16.315 -1.147 -10.762 1.00 0.00 C ATOM 463 O THR A 32 -16.608 -2.083 -11.506 1.00 0.00 O ATOM 464 CB THR A 32 -16.435 -1.361 -8.279 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.703 -1.580 -7.087 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.513 -2.415 -8.356 1.00 0.00 C ATOM 0 H THR A 32 -14.715 0.400 -8.697 1.00 0.00 H new ATOM 0 HA THR A 32 -15.014 -2.333 -9.550 1.00 0.00 H new ATOM 0 HB THR A 32 -16.904 -0.377 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.073 -1.025 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.137 -2.363 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.128 -2.243 -9.239 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.054 -3.401 -8.421 1.00 0.00 H new ATOM 474 N ASP A 33 -16.659 0.106 -10.994 1.00 0.00 N ATOM 475 CA ASP A 33 -17.424 0.488 -12.167 1.00 0.00 C ATOM 476 C ASP A 33 -16.515 0.687 -13.378 1.00 0.00 C ATOM 477 O ASP A 33 -16.987 0.768 -14.513 1.00 0.00 O ATOM 478 CB ASP A 33 -18.218 1.765 -11.893 1.00 0.00 C ATOM 479 CG ASP A 33 -19.585 1.750 -12.548 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.647 1.798 -13.795 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.595 1.688 -11.815 1.00 0.00 O ATOM 0 H ASP A 33 -16.418 0.883 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.119 -0.322 -12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.336 1.892 -10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.654 2.624 -12.256 1.00 0.00 H new ATOM 486 N GLY A 34 -15.209 0.770 -13.134 1.00 0.00 N ATOM 487 CA GLY A 34 -14.261 0.961 -14.216 1.00 0.00 C ATOM 488 C GLY A 34 -14.052 2.426 -14.545 1.00 0.00 C ATOM 489 O GLY A 34 -13.848 2.787 -15.704 1.00 0.00 O ATOM 0 H GLY A 34 -14.792 0.708 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.306 0.512 -13.943 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.616 0.438 -15.104 1.00 0.00 H new ATOM 493 N ASP A 35 -14.110 3.272 -13.521 1.00 0.00 N ATOM 494 CA ASP A 35 -13.931 4.707 -13.704 1.00 0.00 C ATOM 495 C ASP A 35 -12.456 5.093 -13.700 1.00 0.00 C ATOM 496 O ASP A 35 -12.077 6.132 -14.241 1.00 0.00 O ATOM 497 CB ASP A 35 -14.674 5.477 -12.610 1.00 0.00 C ATOM 498 CG ASP A 35 -16.116 5.763 -12.980 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.816 4.822 -13.408 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.544 6.928 -12.843 1.00 0.00 O ATOM 0 H ASP A 35 -14.280 2.988 -12.556 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.345 4.970 -14.677 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.647 4.903 -11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.158 6.418 -12.418 1.00 0.00 H new ATOM 505 N LYS A 36 -11.626 4.256 -13.088 1.00 0.00 N ATOM 506 CA LYS A 36 -10.192 4.523 -13.019 1.00 0.00 C ATOM 507 C LYS A 36 -9.445 3.376 -12.359 1.00 0.00 C ATOM 508 O LYS A 36 -10.039 2.513 -11.714 1.00 0.00 O ATOM 509 CB LYS A 36 -9.931 5.826 -12.260 1.00 0.00 C ATOM 510 CG LYS A 36 -10.239 5.740 -10.771 1.00 0.00 C ATOM 511 CD LYS A 36 -11.405 6.637 -10.385 1.00 0.00 C ATOM 512 CE LYS A 36 -10.956 8.073 -10.167 1.00 0.00 C ATOM 513 NZ LYS A 36 -11.958 9.052 -10.670 1.00 0.00 N ATOM 0 H LYS A 36 -11.918 3.391 -12.634 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.822 4.623 -14.040 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.886 6.109 -12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.533 6.620 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.470 4.708 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.356 6.025 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.163 6.607 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.871 6.258 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.786 8.242 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.004 8.236 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.613 10.019 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.102 8.908 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.859 8.914 -10.170 1.00 0.00 H new ATOM 527 N VAL A 37 -8.135 3.370 -12.554 1.00 0.00 N ATOM 528 CA VAL A 37 -7.279 2.331 -12.016 1.00 0.00 C ATOM 529 C VAL A 37 -5.915 2.896 -11.620 1.00 0.00 C ATOM 530 O VAL A 37 -5.401 3.811 -12.263 1.00 0.00 O ATOM 531 CB VAL A 37 -7.103 1.209 -13.057 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.990 1.803 -14.457 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.901 0.322 -12.736 1.00 0.00 C ATOM 0 H VAL A 37 -7.640 4.084 -13.088 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.751 1.925 -11.122 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.987 0.573 -13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.866 1.000 -15.184 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.895 2.365 -14.688 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.128 2.469 -14.501 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.811 -0.457 -13.493 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.994 0.927 -12.728 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.039 -0.138 -11.757 1.00 0.00 H new ATOM 543 N HIS A 38 -5.337 2.340 -10.562 1.00 0.00 N ATOM 544 CA HIS A 38 -4.032 2.783 -10.084 1.00 0.00 C ATOM 545 C HIS A 38 -3.039 1.627 -10.070 1.00 0.00 C ATOM 546 O HIS A 38 -3.280 0.595 -9.441 1.00 0.00 O ATOM 547 CB HIS A 38 -4.156 3.384 -8.681 1.00 0.00 C ATOM 548 CG HIS A 38 -4.257 4.879 -8.680 1.00 0.00 C ATOM 549 ND1 HIS A 38 -3.437 5.687 -7.921 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.088 5.711 -9.350 1.00 0.00 C ATOM 551 CE1 HIS A 38 -3.760 6.952 -8.123 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.758 6.994 -8.987 1.00 0.00 N ATOM 0 H HIS A 38 -5.751 1.582 -10.019 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.662 3.548 -10.767 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.037 2.968 -8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.291 3.085 -8.088 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.865 5.420 -10.041 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.288 7.806 -7.660 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.210 7.842 -9.329 1.00 0.00 H new ATOM 561 N THR A 39 -1.922 1.804 -10.768 1.00 0.00 N ATOM 562 CA THR A 39 -0.892 0.773 -10.837 1.00 0.00 C ATOM 563 C THR A 39 0.207 1.036 -9.814 1.00 0.00 C ATOM 564 O THR A 39 0.783 2.124 -9.772 1.00 0.00 O ATOM 565 CB THR A 39 -0.294 0.710 -12.243 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.184 1.272 -13.192 1.00 0.00 O ATOM 567 CG2 THR A 39 0.028 -0.697 -12.694 1.00 0.00 C ATOM 0 H THR A 39 -1.707 2.651 -11.294 1.00 0.00 H new ATOM 0 HA THR A 39 -1.357 -0.186 -10.607 1.00 0.00 H new ATOM 0 HB THR A 39 0.635 1.278 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.783 1.224 -14.085 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.449 -0.670 -13.699 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.751 -1.142 -12.010 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.883 -1.295 -12.698 1.00 0.00 H new ATOM 575 N VAL A 40 0.491 0.035 -8.987 1.00 0.00 N ATOM 576 CA VAL A 40 1.518 0.158 -7.961 1.00 0.00 C ATOM 577 C VAL A 40 2.705 -0.747 -8.257 1.00 0.00 C ATOM 578 O VAL A 40 2.535 -1.892 -8.666 1.00 0.00 O ATOM 579 CB VAL A 40 0.955 -0.192 -6.561 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.745 -1.316 -5.895 1.00 0.00 C ATOM 581 CG2 VAL A 40 0.944 1.031 -5.668 1.00 0.00 C ATOM 0 H VAL A 40 0.023 -0.871 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 40 1.849 1.197 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.068 -0.540 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.317 -1.530 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.698 -2.211 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.785 -1.010 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.545 0.764 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.960 1.408 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.319 1.803 -6.116 1.00 0.00 H new ATOM 591 N VAL A 41 3.900 -0.236 -8.007 1.00 0.00 N ATOM 592 CA VAL A 41 5.115 -1.008 -8.202 1.00 0.00 C ATOM 593 C VAL A 41 5.646 -1.461 -6.849 1.00 0.00 C ATOM 594 O VAL A 41 6.329 -0.704 -6.160 1.00 0.00 O ATOM 595 CB VAL A 41 6.200 -0.199 -8.935 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.388 -1.086 -9.280 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.629 0.450 -10.186 1.00 0.00 C ATOM 0 H VAL A 41 4.054 0.713 -7.667 1.00 0.00 H new ATOM 0 HA VAL A 41 4.868 -1.870 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 41 6.548 0.592 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.144 -0.496 -9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.813 -1.498 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.059 -1.900 -9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.411 1.018 -10.691 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.251 -0.322 -10.856 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.815 1.120 -9.909 1.00 0.00 H new ATOM 607 N LEU A 42 5.312 -2.693 -6.463 1.00 0.00 N ATOM 608 CA LEU A 42 5.736 -3.247 -5.178 1.00 0.00 C ATOM 609 C LEU A 42 7.204 -2.924 -4.876 1.00 0.00 C ATOM 610 O LEU A 42 7.611 -2.885 -3.715 1.00 0.00 O ATOM 611 CB LEU A 42 5.522 -4.761 -5.158 1.00 0.00 C ATOM 612 CG LEU A 42 4.068 -5.245 -5.035 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.635 -5.314 -3.585 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.111 -4.360 -5.805 1.00 0.00 C ATOM 0 H LEU A 42 4.746 -3.328 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 42 5.125 -2.783 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.944 -5.178 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.091 -5.175 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 42 4.035 -6.245 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.603 -5.659 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.279 -6.008 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.711 -4.324 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.095 -4.738 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.165 -3.342 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.383 -4.362 -6.861 1.00 0.00 H new ATOM 626 N SER A 43 7.987 -2.678 -5.924 1.00 0.00 N ATOM 627 CA SER A 43 9.396 -2.344 -5.765 1.00 0.00 C ATOM 628 C SER A 43 9.526 -0.916 -5.270 1.00 0.00 C ATOM 629 O SER A 43 10.239 -0.644 -4.304 1.00 0.00 O ATOM 630 CB SER A 43 10.147 -2.520 -7.086 1.00 0.00 C ATOM 631 OG SER A 43 11.186 -1.564 -7.224 1.00 0.00 O ATOM 0 H SER A 43 7.667 -2.704 -6.892 1.00 0.00 H new ATOM 0 HA SER A 43 9.838 -3.020 -5.033 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.566 -3.525 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.450 -2.424 -7.918 1.00 0.00 H new ATOM 0 HG SER A 43 11.974 -1.992 -7.619 1.00 0.00 H new ATOM 637 N THR A 44 8.805 -0.007 -5.919 1.00 0.00 N ATOM 638 CA THR A 44 8.817 1.377 -5.523 1.00 0.00 C ATOM 639 C THR A 44 8.215 1.495 -4.131 1.00 0.00 C ATOM 640 O THR A 44 8.566 2.389 -3.362 1.00 0.00 O ATOM 641 CB THR A 44 8.022 2.208 -6.522 1.00 0.00 C ATOM 642 OG1 THR A 44 6.649 1.861 -6.485 1.00 0.00 O ATOM 643 CG2 THR A 44 8.501 2.049 -7.948 1.00 0.00 C ATOM 0 H THR A 44 8.209 -0.214 -6.720 1.00 0.00 H new ATOM 0 HA THR A 44 9.841 1.751 -5.506 1.00 0.00 H new ATOM 0 HB THR A 44 8.173 3.244 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.558 0.910 -6.268 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.892 2.668 -8.607 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.543 2.360 -8.019 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.413 1.004 -8.247 1.00 0.00 H new ATOM 651 N ILE A 45 7.319 0.560 -3.806 1.00 0.00 N ATOM 652 CA ILE A 45 6.692 0.541 -2.494 1.00 0.00 C ATOM 653 C ILE A 45 7.751 0.449 -1.395 1.00 0.00 C ATOM 654 O ILE A 45 8.265 -0.633 -1.109 1.00 0.00 O ATOM 655 CB ILE A 45 5.722 -0.648 -2.349 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.635 -0.593 -3.426 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.106 -0.662 -0.958 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.715 0.604 -3.311 1.00 0.00 C ATOM 0 H ILE A 45 7.017 -0.186 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 45 6.131 1.470 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 45 6.284 -1.572 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.110 -0.580 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.038 -1.504 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.423 -1.507 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.895 -0.754 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.558 0.266 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.973 0.571 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.210 0.583 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.298 1.521 -3.396 1.00 0.00 H new ATOM 670 N ASP A 46 8.073 1.584 -0.783 1.00 0.00 N ATOM 671 CA ASP A 46 9.073 1.626 0.283 1.00 0.00 C ATOM 672 C ASP A 46 8.834 0.523 1.312 1.00 0.00 C ATOM 673 O ASP A 46 9.773 0.042 1.948 1.00 0.00 O ATOM 674 CB ASP A 46 9.053 2.993 0.971 1.00 0.00 C ATOM 675 CG ASP A 46 10.337 3.279 1.724 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.424 3.056 1.150 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.256 3.727 2.887 1.00 0.00 O ATOM 0 H ASP A 46 7.657 2.488 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 46 10.051 1.463 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.892 3.770 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.212 3.036 1.663 1.00 0.00 H new ATOM 682 N LYS A 47 7.576 0.123 1.468 1.00 0.00 N ATOM 683 CA LYS A 47 7.218 -0.927 2.415 1.00 0.00 C ATOM 684 C LYS A 47 5.750 -1.312 2.265 1.00 0.00 C ATOM 685 O LYS A 47 4.939 -0.530 1.769 1.00 0.00 O ATOM 686 CB LYS A 47 7.513 -0.482 3.853 1.00 0.00 C ATOM 687 CG LYS A 47 6.511 0.514 4.416 1.00 0.00 C ATOM 688 CD LYS A 47 6.723 0.736 5.905 1.00 0.00 C ATOM 689 CE LYS A 47 6.738 2.216 6.253 1.00 0.00 C ATOM 690 NZ LYS A 47 7.636 2.507 7.405 1.00 0.00 N ATOM 0 H LYS A 47 6.787 0.510 0.950 1.00 0.00 H new ATOM 0 HA LYS A 47 7.826 -1.805 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.534 -1.362 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.508 -0.038 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.604 1.463 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.498 0.151 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.931 0.238 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.664 0.280 6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.063 2.790 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.726 2.543 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.618 3.526 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.311 1.980 8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.607 2.218 7.170 1.00 0.00 H new ATOM 704 N LEU A 48 5.418 -2.521 2.695 1.00 0.00 N ATOM 705 CA LEU A 48 4.050 -3.018 2.608 1.00 0.00 C ATOM 706 C LEU A 48 3.414 -3.098 3.997 1.00 0.00 C ATOM 707 O LEU A 48 3.932 -3.773 4.887 1.00 0.00 O ATOM 708 CB LEU A 48 4.045 -4.397 1.948 1.00 0.00 C ATOM 709 CG LEU A 48 2.707 -5.135 1.982 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.910 -4.854 0.718 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.934 -6.629 2.158 1.00 0.00 C ATOM 0 H LEU A 48 6.079 -3.179 3.109 1.00 0.00 H new ATOM 0 HA LEU A 48 3.464 -2.326 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.352 -4.285 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.796 -5.018 2.437 1.00 0.00 H new ATOM 0 HG LEU A 48 2.130 -4.773 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.961 -5.388 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.721 -3.784 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.476 -5.189 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.973 -7.143 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.528 -7.007 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.464 -6.809 3.094 1.00 0.00 H new ATOM 723 N GLN A 49 2.291 -2.408 4.176 1.00 0.00 N ATOM 724 CA GLN A 49 1.588 -2.404 5.454 1.00 0.00 C ATOM 725 C GLN A 49 0.184 -2.977 5.301 1.00 0.00 C ATOM 726 O GLN A 49 -0.410 -2.895 4.232 1.00 0.00 O ATOM 727 CB GLN A 49 1.499 -0.981 6.003 1.00 0.00 C ATOM 728 CG GLN A 49 2.791 -0.192 5.870 1.00 0.00 C ATOM 729 CD GLN A 49 2.854 0.987 6.820 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.099 1.950 6.685 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.759 0.918 7.790 1.00 0.00 N ATOM 0 H GLN A 49 1.848 -1.844 3.451 1.00 0.00 H new ATOM 0 HA GLN A 49 2.149 -3.027 6.150 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.704 -0.449 5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.217 -1.024 7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.637 -0.853 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.890 0.166 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.365 0.101 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.848 1.682 8.460 1.00 0.00 H new ATOM 740 N ALA A 50 -0.341 -3.558 6.373 1.00 0.00 N ATOM 741 CA ALA A 50 -1.675 -4.138 6.351 1.00 0.00 C ATOM 742 C ALA A 50 -2.253 -4.221 7.762 1.00 0.00 C ATOM 743 O ALA A 50 -1.509 -4.358 8.733 1.00 0.00 O ATOM 744 CB ALA A 50 -1.622 -5.507 5.707 1.00 0.00 C ATOM 0 H ALA A 50 0.139 -3.639 7.269 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.332 -3.497 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.622 -5.941 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.250 -5.415 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.956 -6.153 6.279 1.00 0.00 H new ATOM 750 N THR A 51 -3.578 -4.139 7.876 1.00 0.00 N ATOM 751 CA THR A 51 -4.229 -4.208 9.181 1.00 0.00 C ATOM 752 C THR A 51 -3.862 -5.504 9.904 1.00 0.00 C ATOM 753 O THR A 51 -3.743 -6.558 9.280 1.00 0.00 O ATOM 754 CB THR A 51 -5.748 -4.105 9.028 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.218 -5.024 8.060 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.216 -2.725 8.617 1.00 0.00 C ATOM 0 H THR A 51 -4.216 -4.026 7.088 1.00 0.00 H new ATOM 0 HA THR A 51 -3.877 -3.367 9.778 1.00 0.00 H new ATOM 0 HB THR A 51 -6.153 -4.330 10.015 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.930 -5.573 8.449 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.302 -2.721 8.526 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.912 -1.998 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.771 -2.461 7.658 1.00 0.00 H new ATOM 764 N PRO A 52 -3.673 -5.442 11.236 1.00 0.00 N ATOM 765 CA PRO A 52 -3.312 -6.617 12.037 1.00 0.00 C ATOM 766 C PRO A 52 -4.461 -7.611 12.168 1.00 0.00 C ATOM 767 O PRO A 52 -5.618 -7.276 11.911 1.00 0.00 O ATOM 768 CB PRO A 52 -2.963 -6.022 13.402 1.00 0.00 C ATOM 769 CG PRO A 52 -3.732 -4.750 13.469 1.00 0.00 C ATOM 770 CD PRO A 52 -3.790 -4.224 12.060 1.00 0.00 C ATOM 0 HA PRO A 52 -2.500 -7.184 11.582 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.243 -6.697 14.211 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.892 -5.842 13.493 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.734 -4.920 13.863 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.246 -4.035 14.132 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.724 -3.696 11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.980 -3.523 11.859 1.00 0.00 H new ATOM 778 N ALA A 53 -4.133 -8.835 12.569 1.00 0.00 N ATOM 779 CA ALA A 53 -5.135 -9.881 12.736 1.00 0.00 C ATOM 780 C ALA A 53 -6.045 -9.589 13.924 1.00 0.00 C ATOM 781 O ALA A 53 -7.217 -9.965 13.929 1.00 0.00 O ATOM 782 CB ALA A 53 -4.460 -11.235 12.906 1.00 0.00 C ATOM 0 H ALA A 53 -3.180 -9.127 12.785 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.752 -9.904 11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.219 -12.007 13.030 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.859 -11.455 12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.818 -11.213 13.786 1.00 0.00 H new ATOM 788 N SER A 54 -5.498 -8.914 14.931 1.00 0.00 N ATOM 789 CA SER A 54 -6.264 -8.570 16.124 1.00 0.00 C ATOM 790 C SER A 54 -7.303 -7.497 15.814 1.00 0.00 C ATOM 791 O SER A 54 -8.292 -7.350 16.532 1.00 0.00 O ATOM 792 CB SER A 54 -5.330 -8.088 17.235 1.00 0.00 C ATOM 793 OG SER A 54 -5.804 -8.487 18.510 1.00 0.00 O ATOM 0 H SER A 54 -4.529 -8.595 14.945 1.00 0.00 H new ATOM 0 HA SER A 54 -6.785 -9.466 16.461 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.330 -8.490 17.073 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.247 -7.002 17.198 1.00 0.00 H new ATOM 0 HG SER A 54 -5.188 -8.168 19.202 1.00 0.00 H new ATOM 799 N SER A 55 -7.072 -6.753 14.739 1.00 0.00 N ATOM 800 CA SER A 55 -7.985 -5.695 14.326 1.00 0.00 C ATOM 801 C SER A 55 -8.980 -6.210 13.299 1.00 0.00 C ATOM 802 O SER A 55 -8.600 -6.611 12.198 1.00 0.00 O ATOM 803 CB SER A 55 -7.204 -4.514 13.749 1.00 0.00 C ATOM 804 OG SER A 55 -6.457 -3.853 14.756 1.00 0.00 O ATOM 0 H SER A 55 -6.257 -6.864 14.136 1.00 0.00 H new ATOM 0 HA SER A 55 -8.536 -5.361 15.205 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.532 -4.866 12.966 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.894 -3.810 13.284 1.00 0.00 H new ATOM 0 HG SER A 55 -6.919 -3.939 15.616 1.00 0.00 H new ATOM 810 N GLU A 56 -10.259 -6.187 13.659 1.00 0.00 N ATOM 811 CA GLU A 56 -11.312 -6.641 12.759 1.00 0.00 C ATOM 812 C GLU A 56 -11.234 -5.900 11.427 1.00 0.00 C ATOM 813 O GLU A 56 -11.764 -6.360 10.416 1.00 0.00 O ATOM 814 CB GLU A 56 -12.686 -6.430 13.396 1.00 0.00 C ATOM 815 CG GLU A 56 -13.170 -7.621 14.206 1.00 0.00 C ATOM 816 CD GLU A 56 -14.540 -7.396 14.814 1.00 0.00 C ATOM 817 OE1 GLU A 56 -15.380 -6.743 14.159 1.00 0.00 O ATOM 818 OE2 GLU A 56 -14.773 -7.871 15.946 1.00 0.00 O ATOM 0 H GLU A 56 -10.591 -5.859 14.566 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.170 -7.706 12.575 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.647 -5.553 14.042 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.412 -6.215 12.612 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.201 -8.502 13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.454 -7.830 15.001 1.00 0.00 H new ATOM 825 N LYS A 57 -10.563 -4.751 11.436 1.00 0.00 N ATOM 826 CA LYS A 57 -10.408 -3.949 10.229 1.00 0.00 C ATOM 827 C LYS A 57 -9.472 -4.636 9.240 1.00 0.00 C ATOM 828 O LYS A 57 -8.318 -4.922 9.559 1.00 0.00 O ATOM 829 CB LYS A 57 -9.867 -2.561 10.581 1.00 0.00 C ATOM 830 CG LYS A 57 -10.833 -1.721 11.401 1.00 0.00 C ATOM 831 CD LYS A 57 -12.179 -1.582 10.707 1.00 0.00 C ATOM 832 CE LYS A 57 -12.999 -0.451 11.305 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.343 -0.707 12.731 1.00 0.00 N ATOM 0 H LYS A 57 -10.119 -4.356 12.265 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.387 -3.842 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.935 -2.673 11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.628 -2.029 9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.973 -2.178 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.405 -0.733 11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.024 -1.398 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.732 -2.518 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.441 0.482 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.915 -0.323 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.945 0.063 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.854 -1.610 12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.471 -0.753 13.296 1.00 0.00 H new ATOM 847 N MET A 58 -9.977 -4.901 8.041 1.00 0.00 N ATOM 848 CA MET A 58 -9.188 -5.557 7.005 1.00 0.00 C ATOM 849 C MET A 58 -8.778 -4.563 5.925 1.00 0.00 C ATOM 850 O MET A 58 -9.592 -4.170 5.089 1.00 0.00 O ATOM 851 CB MET A 58 -9.984 -6.705 6.387 1.00 0.00 C ATOM 852 CG MET A 58 -10.581 -7.651 7.415 1.00 0.00 C ATOM 853 SD MET A 58 -12.341 -7.366 7.684 1.00 0.00 S ATOM 854 CE MET A 58 -13.009 -7.896 6.111 1.00 0.00 C ATOM 0 H MET A 58 -10.931 -4.671 7.762 1.00 0.00 H new ATOM 0 HA MET A 58 -8.284 -5.957 7.464 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.786 -6.292 5.776 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.333 -7.270 5.720 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.430 -8.679 7.087 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.050 -7.536 8.360 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.807 -7.219 5.808 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.220 -7.887 5.359 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.407 -8.906 6.207 1.00 0.00 H new ATOM 864 N MET A 59 -7.513 -4.152 5.952 1.00 0.00 N ATOM 865 CA MET A 59 -7.005 -3.197 4.977 1.00 0.00 C ATOM 866 C MET A 59 -5.522 -3.414 4.697 1.00 0.00 C ATOM 867 O MET A 59 -4.749 -3.732 5.599 1.00 0.00 O ATOM 868 CB MET A 59 -7.216 -1.772 5.484 1.00 0.00 C ATOM 869 CG MET A 59 -8.672 -1.431 5.751 1.00 0.00 C ATOM 870 SD MET A 59 -8.881 0.220 6.439 1.00 0.00 S ATOM 871 CE MET A 59 -9.644 -0.179 8.009 1.00 0.00 C ATOM 0 H MET A 59 -6.825 -4.465 6.637 1.00 0.00 H new ATOM 0 HA MET A 59 -7.556 -3.350 4.049 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.645 -1.634 6.402 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.816 -1.071 4.751 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.236 -1.507 4.821 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.093 -2.164 6.440 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.378 0.586 8.262 1.00 0.00 H new ATOM 0 HE2 MET A 59 -10.139 -1.147 7.937 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.880 -0.219 8.785 1.00 0.00 H new ATOM 881 N LEU A 60 -5.131 -3.212 3.444 1.00 0.00 N ATOM 882 CA LEU A 60 -3.734 -3.358 3.046 1.00 0.00 C ATOM 883 C LEU A 60 -3.211 -2.043 2.479 1.00 0.00 C ATOM 884 O LEU A 60 -3.923 -1.340 1.762 1.00 0.00 O ATOM 885 CB LEU A 60 -3.571 -4.472 2.011 1.00 0.00 C ATOM 886 CG LEU A 60 -4.149 -5.835 2.405 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.697 -6.892 1.420 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.721 -6.230 3.807 1.00 0.00 C ATOM 0 H LEU A 60 -5.760 -2.947 2.686 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.156 -3.625 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.044 -4.152 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.508 -4.595 1.801 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.236 -5.757 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.112 -7.858 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.044 -6.630 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.609 -6.950 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.147 -7.202 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.634 -6.288 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.075 -5.484 4.519 1.00 0.00 H new ATOM 900 N ARG A 61 -1.972 -1.706 2.816 1.00 0.00 N ATOM 901 CA ARG A 61 -1.368 -0.464 2.351 1.00 0.00 C ATOM 902 C ARG A 61 0.061 -0.676 1.863 1.00 0.00 C ATOM 903 O ARG A 61 0.782 -1.530 2.373 1.00 0.00 O ATOM 904 CB ARG A 61 -1.365 0.562 3.484 1.00 0.00 C ATOM 905 CG ARG A 61 -0.827 1.926 3.078 1.00 0.00 C ATOM 906 CD ARG A 61 -1.751 3.048 3.527 1.00 0.00 C ATOM 907 NE ARG A 61 -1.301 3.660 4.776 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.022 4.532 5.477 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.227 4.896 5.055 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.539 5.040 6.602 1.00 0.00 N ATOM 0 H ARG A 61 -1.367 -2.274 3.409 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.962 -0.101 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.382 0.680 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.766 0.176 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.162 2.072 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.708 1.963 1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.803 3.809 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.760 2.657 3.658 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.380 3.404 5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.604 4.507 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.776 5.565 5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.614 4.763 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.092 5.708 7.139 1.00 0.00 H new ATOM 924 N LEU A 62 0.470 0.127 0.886 1.00 0.00 N ATOM 925 CA LEU A 62 1.822 0.056 0.344 1.00 0.00 C ATOM 926 C LEU A 62 2.460 1.440 0.360 1.00 0.00 C ATOM 927 O LEU A 62 2.026 2.340 -0.358 1.00 0.00 O ATOM 928 CB LEU A 62 1.816 -0.491 -1.084 1.00 0.00 C ATOM 929 CG LEU A 62 1.225 -1.891 -1.249 1.00 0.00 C ATOM 930 CD1 LEU A 62 -0.043 -1.821 -2.073 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.234 -2.840 -1.889 1.00 0.00 C ATOM 0 H LEU A 62 -0.119 0.838 0.452 1.00 0.00 H new ATOM 0 HA LEU A 62 2.402 -0.623 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.256 0.198 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.841 -0.502 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 62 0.982 -2.284 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.459 -2.822 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.769 -1.182 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.184 -1.409 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.787 -3.829 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.516 -2.462 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.120 -2.908 -1.258 1.00 0.00 H new ATOM 943 N ILE A 63 3.488 1.608 1.181 1.00 0.00 N ATOM 944 CA ILE A 63 4.174 2.891 1.281 1.00 0.00 C ATOM 945 C ILE A 63 5.091 3.104 0.085 1.00 0.00 C ATOM 946 O ILE A 63 5.673 2.155 -0.431 1.00 0.00 O ATOM 947 CB ILE A 63 5.012 2.993 2.572 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.264 2.371 3.754 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.358 4.446 2.867 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.897 2.970 3.988 1.00 0.00 C ATOM 0 H ILE A 63 3.864 0.877 1.785 1.00 0.00 H new ATOM 0 HA ILE A 63 3.402 3.661 1.301 1.00 0.00 H new ATOM 0 HB ILE A 63 5.938 2.438 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.158 1.300 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.863 2.491 4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.949 4.501 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.932 4.859 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.440 5.020 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.426 2.480 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.997 4.036 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.280 2.826 3.101 1.00 0.00 H new ATOM 962 N GLY A 64 5.214 4.352 -0.352 1.00 0.00 N ATOM 963 CA GLY A 64 6.064 4.660 -1.486 1.00 0.00 C ATOM 964 C GLY A 64 7.366 5.317 -1.075 1.00 0.00 C ATOM 965 O GLY A 64 7.402 6.095 -0.121 1.00 0.00 O ATOM 0 H GLY A 64 4.740 5.156 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.281 3.742 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.528 5.319 -2.169 1.00 0.00 H new ATOM 969 N LYS A 65 8.439 5.006 -1.795 1.00 0.00 N ATOM 970 CA LYS A 65 9.751 5.573 -1.500 1.00 0.00 C ATOM 971 C LYS A 65 9.705 7.097 -1.533 1.00 0.00 C ATOM 972 O LYS A 65 9.405 7.697 -2.566 1.00 0.00 O ATOM 973 CB LYS A 65 10.788 5.061 -2.501 1.00 0.00 C ATOM 974 CG LYS A 65 11.247 3.637 -2.227 1.00 0.00 C ATOM 975 CD LYS A 65 12.001 3.057 -3.413 1.00 0.00 C ATOM 976 CE LYS A 65 12.141 1.548 -3.298 1.00 0.00 C ATOM 977 NZ LYS A 65 12.803 0.960 -4.495 1.00 0.00 N ATOM 0 H LYS A 65 8.426 4.364 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 65 10.038 5.258 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.367 5.111 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.654 5.723 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.888 3.623 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.383 3.012 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.477 3.306 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.990 3.512 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.719 1.304 -2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.155 1.100 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.204 0.206 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.943 1.700 -5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.725 0.563 -4.222 1.00 0.00 H new ATOM 991 N VAL A 66 10.000 7.719 -0.396 1.00 0.00 N ATOM 992 CA VAL A 66 9.987 9.172 -0.295 1.00 0.00 C ATOM 993 C VAL A 66 11.399 9.745 -0.360 1.00 0.00 C ATOM 994 O VAL A 66 12.378 9.042 -0.111 1.00 0.00 O ATOM 995 CB VAL A 66 9.308 9.636 1.009 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.128 9.228 2.223 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.081 11.139 0.989 1.00 0.00 C ATOM 0 H VAL A 66 10.251 7.238 0.468 1.00 0.00 H new ATOM 0 HA VAL A 66 9.415 9.544 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 66 8.337 9.146 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.628 9.567 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.227 8.143 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.117 9.682 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.601 11.447 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.038 11.650 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.441 11.399 0.146 1.00 0.00 H new ATOM 1007 N ASP A 67 11.496 11.028 -0.694 1.00 0.00 N ATOM 1008 CA ASP A 67 12.787 11.699 -0.792 1.00 0.00 C ATOM 1009 C ASP A 67 12.836 12.915 0.129 1.00 0.00 C ATOM 1010 O ASP A 67 13.315 13.981 -0.258 1.00 0.00 O ATOM 1011 CB ASP A 67 13.058 12.125 -2.236 1.00 0.00 C ATOM 1012 CG ASP A 67 13.661 11.007 -3.064 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.844 10.673 -2.839 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.950 10.466 -3.938 1.00 0.00 O ATOM 0 H ASP A 67 10.695 11.624 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 67 13.559 10.996 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.126 12.453 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.733 12.981 -2.239 1.00 0.00 H new ATOM 1019 N GLU A 68 12.337 12.747 1.349 1.00 0.00 N ATOM 1020 CA GLU A 68 12.322 13.830 2.327 1.00 0.00 C ATOM 1021 C GLU A 68 13.734 14.335 2.612 1.00 0.00 C ATOM 1022 O GLU A 68 13.917 15.454 3.091 1.00 0.00 O ATOM 1023 CB GLU A 68 11.658 13.362 3.625 1.00 0.00 C ATOM 1024 CG GLU A 68 10.426 14.169 4.001 1.00 0.00 C ATOM 1025 CD GLU A 68 10.280 14.345 5.499 1.00 0.00 C ATOM 1026 OE1 GLU A 68 10.991 15.200 6.068 1.00 0.00 O ATOM 1027 OE2 GLU A 68 9.455 13.629 6.104 1.00 0.00 O ATOM 0 H GLU A 68 11.937 11.871 1.685 1.00 0.00 H new ATOM 0 HA GLU A 68 11.745 14.654 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.379 12.313 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.383 13.421 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.480 15.149 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.538 13.674 3.609 1.00 0.00 H new ATOM 1034 N SER A 69 14.728 13.505 2.317 1.00 0.00 N ATOM 1035 CA SER A 69 16.123 13.869 2.543 1.00 0.00 C ATOM 1036 C SER A 69 16.490 15.138 1.778 1.00 0.00 C ATOM 1037 O SER A 69 17.449 15.827 2.126 1.00 0.00 O ATOM 1038 CB SER A 69 17.045 12.723 2.127 1.00 0.00 C ATOM 1039 OG SER A 69 18.229 12.712 2.906 1.00 0.00 O ATOM 0 H SER A 69 14.594 12.575 1.921 1.00 0.00 H new ATOM 0 HA SER A 69 16.252 14.062 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.523 11.773 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.301 12.823 1.072 1.00 0.00 H new ATOM 0 HG SER A 69 18.801 11.969 2.621 1.00 0.00 H new ATOM 1045 N LYS A 70 15.724 15.438 0.737 1.00 0.00 N ATOM 1046 CA LYS A 70 15.969 16.624 -0.076 1.00 0.00 C ATOM 1047 C LYS A 70 15.704 17.896 0.724 1.00 0.00 C ATOM 1048 O LYS A 70 16.623 18.667 0.999 1.00 0.00 O ATOM 1049 CB LYS A 70 15.088 16.603 -1.327 1.00 0.00 C ATOM 1050 CG LYS A 70 15.697 15.833 -2.487 1.00 0.00 C ATOM 1051 CD LYS A 70 16.936 16.529 -3.028 1.00 0.00 C ATOM 1052 CE LYS A 70 18.013 15.528 -3.416 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.015 15.342 -2.330 1.00 0.00 N ATOM 0 H LYS A 70 14.928 14.877 0.435 1.00 0.00 H new ATOM 0 HA LYS A 70 17.016 16.616 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.124 16.161 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.896 17.628 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.957 14.826 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.960 15.729 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.667 17.130 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.328 17.213 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.550 14.570 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.517 15.869 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.732 14.652 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.475 16.251 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.539 14.992 -1.474 1.00 0.00 H new ATOM 1067 N LYS A 71 14.442 18.104 1.093 1.00 0.00 N ATOM 1068 CA LYS A 71 14.040 19.281 1.864 1.00 0.00 C ATOM 1069 C LYS A 71 14.707 20.549 1.336 1.00 0.00 C ATOM 1070 O LYS A 71 15.707 21.012 1.884 1.00 0.00 O ATOM 1071 CB LYS A 71 14.375 19.092 3.348 1.00 0.00 C ATOM 1072 CG LYS A 71 15.805 18.643 3.604 1.00 0.00 C ATOM 1073 CD LYS A 71 16.116 18.599 5.091 1.00 0.00 C ATOM 1074 CE LYS A 71 16.704 19.914 5.576 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.389 19.766 6.890 1.00 0.00 N ATOM 0 H LYS A 71 13.675 17.469 0.869 1.00 0.00 H new ATOM 0 HA LYS A 71 12.961 19.394 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.200 20.031 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.692 18.357 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.961 17.656 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.496 19.324 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.205 18.379 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.817 17.789 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.413 20.289 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.911 20.656 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.776 20.685 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.707 19.433 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.163 19.077 6.802 1.00 0.00 H new ATOM 1089 N ARG A 72 14.147 21.104 0.266 1.00 0.00 N ATOM 1090 CA ARG A 72 14.689 22.317 -0.337 1.00 0.00 C ATOM 1091 C ARG A 72 13.639 23.426 -0.371 1.00 0.00 C ATOM 1092 O ARG A 72 12.448 23.172 -0.198 1.00 0.00 O ATOM 1093 CB ARG A 72 15.208 22.020 -1.750 1.00 0.00 C ATOM 1094 CG ARG A 72 14.128 22.010 -2.821 1.00 0.00 C ATOM 1095 CD ARG A 72 13.822 23.416 -3.312 1.00 0.00 C ATOM 1096 NE ARG A 72 13.949 23.531 -4.763 1.00 0.00 N ATOM 1097 CZ ARG A 72 15.107 23.711 -5.397 1.00 0.00 C ATOM 1098 NH1 ARG A 72 16.241 23.796 -4.713 1.00 0.00 N ATOM 1099 NH2 ARG A 72 15.130 23.804 -6.719 1.00 0.00 N ATOM 0 H ARG A 72 13.319 20.734 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 72 15.522 22.663 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.958 22.765 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.708 21.052 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.450 21.392 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.221 21.557 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.810 23.691 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.499 24.123 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 72 13.100 23.470 -5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.230 23.723 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.124 23.934 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.262 23.738 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.016 23.942 -7.205 1.00 0.00 H new ATOM 1113 N LYS A 73 14.092 24.655 -0.594 1.00 0.00 N ATOM 1114 CA LYS A 73 13.194 25.803 -0.650 1.00 0.00 C ATOM 1115 C LYS A 73 13.213 26.442 -2.034 1.00 0.00 C ATOM 1116 O LYS A 73 14.190 26.321 -2.772 1.00 0.00 O ATOM 1117 CB LYS A 73 13.589 26.838 0.406 1.00 0.00 C ATOM 1118 CG LYS A 73 13.492 26.320 1.832 1.00 0.00 C ATOM 1119 CD LYS A 73 12.787 27.316 2.741 1.00 0.00 C ATOM 1120 CE LYS A 73 13.450 27.388 4.107 1.00 0.00 C ATOM 1121 NZ LYS A 73 14.629 28.297 4.106 1.00 0.00 N ATOM 0 H LYS A 73 15.076 24.882 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 73 12.183 25.451 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.611 27.166 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.948 27.714 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.952 25.373 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.492 26.120 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.796 28.303 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.742 27.028 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.726 27.734 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.762 26.389 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.052 28.318 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.332 27.953 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.328 29.256 3.840 1.00 0.00 H new ATOM 1135 N ASP A 74 12.125 27.122 -2.380 1.00 0.00 N ATOM 1136 CA ASP A 74 12.016 27.782 -3.675 1.00 0.00 C ATOM 1137 C ASP A 74 12.607 29.187 -3.622 1.00 0.00 C ATOM 1138 O ASP A 74 12.938 29.691 -2.549 1.00 0.00 O ATOM 1139 CB ASP A 74 10.552 27.848 -4.116 1.00 0.00 C ATOM 1140 CG ASP A 74 10.404 27.941 -5.622 1.00 0.00 C ATOM 1141 OD1 ASP A 74 10.894 27.031 -6.324 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.800 28.923 -6.099 1.00 0.00 O ATOM 0 H ASP A 74 11.306 27.230 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 74 12.581 27.197 -4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.027 26.963 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.075 28.712 -3.653 1.00 0.00 H new ATOM 1147 N ASN A 75 12.738 29.814 -4.786 1.00 0.00 N ATOM 1148 CA ASN A 75 13.290 31.162 -4.871 1.00 0.00 C ATOM 1149 C ASN A 75 12.453 32.154 -4.068 1.00 0.00 C ATOM 1150 O ASN A 75 12.928 33.230 -3.706 1.00 0.00 O ATOM 1151 CB ASN A 75 13.372 31.610 -6.331 1.00 0.00 C ATOM 1152 CG ASN A 75 14.609 32.442 -6.612 1.00 0.00 C ATOM 1153 OD1 ASN A 75 15.014 33.268 -5.794 1.00 0.00 O ATOM 1154 ND2 ASN A 75 15.215 32.228 -7.773 1.00 0.00 N ATOM 0 H ASN A 75 12.470 29.411 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 75 14.293 31.140 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.373 30.733 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.483 32.189 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.051 32.758 -8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.844 31.533 -8.421 1.00 0.00 H new ATOM 1161 N GLU A 76 11.205 31.787 -3.795 1.00 0.00 N ATOM 1162 CA GLU A 76 10.305 32.648 -3.036 1.00 0.00 C ATOM 1163 C GLU A 76 10.261 32.232 -1.568 1.00 0.00 C ATOM 1164 O GLU A 76 9.236 32.377 -0.903 1.00 0.00 O ATOM 1165 CB GLU A 76 8.897 32.600 -3.632 1.00 0.00 C ATOM 1166 CG GLU A 76 8.055 33.821 -3.304 1.00 0.00 C ATOM 1167 CD GLU A 76 6.613 33.469 -2.994 1.00 0.00 C ATOM 1168 OE1 GLU A 76 5.985 32.765 -3.812 1.00 0.00 O ATOM 1169 OE2 GLU A 76 6.112 33.897 -1.933 1.00 0.00 O ATOM 0 H GLU A 76 10.794 30.900 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 76 10.684 33.668 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.973 32.502 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.387 31.709 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.490 34.339 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.083 34.514 -4.145 1.00 0.00 H new ATOM 1176 N GLY A 77 11.380 31.715 -1.071 1.00 0.00 N ATOM 1177 CA GLY A 77 11.447 31.287 0.315 1.00 0.00 C ATOM 1178 C GLY A 77 10.428 30.212 0.640 1.00 0.00 C ATOM 1179 O GLY A 77 10.030 30.055 1.795 1.00 0.00 O ATOM 0 H GLY A 77 12.241 31.585 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.448 30.911 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.284 32.146 0.966 1.00 0.00 H new ATOM 1183 N ASN A 78 10.004 29.470 -0.378 1.00 0.00 N ATOM 1184 CA ASN A 78 9.025 28.406 -0.193 1.00 0.00 C ATOM 1185 C ASN A 78 9.687 27.154 0.379 1.00 0.00 C ATOM 1186 O ASN A 78 10.830 27.198 0.830 1.00 0.00 O ATOM 1187 CB ASN A 78 8.341 28.075 -1.522 1.00 0.00 C ATOM 1188 CG ASN A 78 7.879 29.317 -2.260 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.619 30.354 -1.650 1.00 0.00 O ATOM 1190 ND2 ASN A 78 7.774 29.217 -3.580 1.00 0.00 N ATOM 0 H ASN A 78 10.323 29.586 -1.340 1.00 0.00 H new ATOM 0 HA ASN A 78 8.274 28.755 0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.032 27.516 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.485 27.427 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.467 30.020 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.000 28.337 -4.044 1.00 0.00 H new ATOM 1197 N GLU A 79 8.961 26.042 0.355 1.00 0.00 N ATOM 1198 CA GLU A 79 9.479 24.780 0.871 1.00 0.00 C ATOM 1199 C GLU A 79 8.928 23.601 0.076 1.00 0.00 C ATOM 1200 O GLU A 79 7.717 23.461 -0.086 1.00 0.00 O ATOM 1201 CB GLU A 79 9.122 24.625 2.351 1.00 0.00 C ATOM 1202 CG GLU A 79 10.162 23.857 3.150 1.00 0.00 C ATOM 1203 CD GLU A 79 10.322 24.388 4.560 1.00 0.00 C ATOM 1204 OE1 GLU A 79 9.343 24.945 5.100 1.00 0.00 O ATOM 1205 OE2 GLU A 79 11.427 24.247 5.126 1.00 0.00 O ATOM 0 H GLU A 79 8.012 25.989 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 79 10.564 24.790 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.995 25.614 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.163 24.114 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.879 22.805 3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.121 23.909 2.635 1.00 0.00 H new ATOM 1212 N VAL A 80 9.826 22.755 -0.417 1.00 0.00 N ATOM 1213 CA VAL A 80 9.429 21.588 -1.194 1.00 0.00 C ATOM 1214 C VAL A 80 9.328 20.346 -0.318 1.00 0.00 C ATOM 1215 O VAL A 80 8.242 19.799 -0.127 1.00 0.00 O ATOM 1216 CB VAL A 80 10.412 21.314 -2.336 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.971 20.107 -3.153 1.00 0.00 C ATOM 1218 CG2 VAL A 80 10.564 22.543 -3.219 1.00 0.00 C ATOM 0 H VAL A 80 10.833 22.856 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 80 8.448 21.812 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 80 11.385 21.087 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.685 19.932 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.927 19.228 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.985 20.295 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.266 22.328 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.596 22.808 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.939 23.375 -2.623 1.00 0.00 H new ATOM 1228 N VAL A 81 10.471 19.913 0.216 1.00 0.00 N ATOM 1229 CA VAL A 81 10.539 18.740 1.079 1.00 0.00 C ATOM 1230 C VAL A 81 9.528 17.669 0.665 1.00 0.00 C ATOM 1231 O VAL A 81 8.471 17.522 1.278 1.00 0.00 O ATOM 1232 CB VAL A 81 10.325 19.138 2.549 1.00 0.00 C ATOM 1233 CG1 VAL A 81 9.037 19.929 2.711 1.00 0.00 C ATOM 1234 CG2 VAL A 81 10.338 17.915 3.455 1.00 0.00 C ATOM 0 H VAL A 81 11.372 20.366 0.061 1.00 0.00 H new ATOM 0 HA VAL A 81 11.536 18.312 0.969 1.00 0.00 H new ATOM 0 HB VAL A 81 11.153 19.780 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.906 20.200 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.087 20.834 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.193 19.321 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.185 18.226 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.540 17.234 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.299 17.408 3.368 1.00 0.00 H new ATOM 1244 N PRO A 82 9.846 16.905 -0.396 1.00 0.00 N ATOM 1245 CA PRO A 82 8.970 15.848 -0.906 1.00 0.00 C ATOM 1246 C PRO A 82 8.375 14.991 0.205 1.00 0.00 C ATOM 1247 O PRO A 82 9.100 14.418 1.018 1.00 0.00 O ATOM 1248 CB PRO A 82 9.906 15.019 -1.781 1.00 0.00 C ATOM 1249 CG PRO A 82 10.914 15.995 -2.280 1.00 0.00 C ATOM 1250 CD PRO A 82 11.089 17.020 -1.187 1.00 0.00 C ATOM 0 HA PRO A 82 8.107 16.251 -1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.377 14.219 -1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.367 14.549 -2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.859 15.499 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.576 16.465 -3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.970 16.812 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.213 18.023 -1.595 1.00 0.00 H new ATOM 1258 N LYS A 83 7.049 14.908 0.233 1.00 0.00 N ATOM 1259 CA LYS A 83 6.352 14.120 1.242 1.00 0.00 C ATOM 1260 C LYS A 83 6.262 12.657 0.825 1.00 0.00 C ATOM 1261 O LYS A 83 6.404 12.324 -0.352 1.00 0.00 O ATOM 1262 CB LYS A 83 4.951 14.683 1.486 1.00 0.00 C ATOM 1263 CG LYS A 83 4.907 15.765 2.551 1.00 0.00 C ATOM 1264 CD LYS A 83 3.500 15.950 3.098 1.00 0.00 C ATOM 1265 CE LYS A 83 3.197 14.951 4.204 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.790 14.466 4.144 1.00 0.00 N ATOM 0 H LYS A 83 6.435 15.378 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 83 6.923 14.179 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.564 15.089 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.288 13.869 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.584 15.504 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.262 16.706 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.388 16.964 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.776 15.832 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.877 14.103 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.380 15.416 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.624 13.787 4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.140 15.272 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.622 14.000 3.230 1.00 0.00 H new ATOM 1280 N PRO A 84 6.041 11.762 1.798 1.00 0.00 N ATOM 1281 CA PRO A 84 5.948 10.324 1.565 1.00 0.00 C ATOM 1282 C PRO A 84 4.553 9.896 1.123 1.00 0.00 C ATOM 1283 O PRO A 84 3.558 10.218 1.772 1.00 0.00 O ATOM 1284 CB PRO A 84 6.290 9.722 2.943 1.00 0.00 C ATOM 1285 CG PRO A 84 6.572 10.892 3.841 1.00 0.00 C ATOM 1286 CD PRO A 84 5.884 12.063 3.218 1.00 0.00 C ATOM 0 HA PRO A 84 6.609 9.994 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.462 9.126 3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.155 9.062 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.198 10.710 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.644 11.069 3.926 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.836 12.128 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.352 13.009 3.492 1.00 0.00 H new ATOM 1294 N GLN A 85 4.489 9.166 0.014 1.00 0.00 N ATOM 1295 CA GLN A 85 3.218 8.689 -0.516 1.00 0.00 C ATOM 1296 C GLN A 85 2.962 7.247 -0.094 1.00 0.00 C ATOM 1297 O GLN A 85 3.897 6.497 0.184 1.00 0.00 O ATOM 1298 CB GLN A 85 3.203 8.799 -2.042 1.00 0.00 C ATOM 1299 CG GLN A 85 2.745 10.155 -2.551 1.00 0.00 C ATOM 1300 CD GLN A 85 2.286 10.112 -3.995 1.00 0.00 C ATOM 1301 OE1 GLN A 85 1.109 10.316 -4.291 1.00 0.00 O ATOM 1302 NE2 GLN A 85 3.217 9.843 -4.903 1.00 0.00 N ATOM 0 H GLN A 85 5.304 8.892 -0.535 1.00 0.00 H new ATOM 0 HA GLN A 85 2.424 9.314 -0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.204 8.597 -2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.547 8.028 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.929 10.517 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.562 10.870 -2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.181 9.680 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.968 9.799 -5.891 1.00 0.00 H new ATOM 1311 N ARG A 86 1.690 6.866 -0.048 1.00 0.00 N ATOM 1312 CA ARG A 86 1.310 5.511 0.341 1.00 0.00 C ATOM 1313 C ARG A 86 -0.024 5.127 -0.291 1.00 0.00 C ATOM 1314 O ARG A 86 -0.929 5.954 -0.393 1.00 0.00 O ATOM 1315 CB ARG A 86 1.209 5.400 1.865 1.00 0.00 C ATOM 1316 CG ARG A 86 2.299 6.155 2.610 1.00 0.00 C ATOM 1317 CD ARG A 86 2.084 6.105 4.114 1.00 0.00 C ATOM 1318 NE ARG A 86 3.321 6.349 4.853 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.430 6.230 6.175 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.383 5.870 6.905 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.592 6.470 6.768 1.00 0.00 N ATOM 0 H ARG A 86 0.904 7.475 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 86 2.080 4.827 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.237 5.776 2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.251 4.348 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.271 5.727 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.316 7.193 2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.339 6.848 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.683 5.130 4.391 1.00 0.00 H new ATOM 0 HE ARG A 86 4.149 6.627 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.487 5.682 6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.473 5.781 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.401 6.745 6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.676 6.379 7.780 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.145 3.870 -0.709 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.379 3.396 -1.322 1.00 0.00 C ATOM 1337 C HIS A 87 -2.242 2.682 -0.291 1.00 0.00 C ATOM 1338 O HIS A 87 -1.889 1.604 0.185 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.066 2.462 -2.490 1.00 0.00 C ATOM 1340 CG HIS A 87 0.063 2.942 -3.349 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.116 3.777 -4.433 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.394 2.710 -3.271 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.056 4.036 -4.985 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.988 3.401 -4.298 1.00 0.00 N ATOM 0 H HIS A 87 0.591 3.167 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.931 4.256 -1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.821 1.474 -2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.959 2.350 -3.105 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.895 2.096 -2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.223 4.660 -5.850 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.988 3.421 -4.498 1.00 0.00 H new ATOM 1353 N MET A 88 -3.370 3.291 0.057 1.00 0.00 N ATOM 1354 CA MET A 88 -4.274 2.713 1.042 1.00 0.00 C ATOM 1355 C MET A 88 -5.365 1.890 0.371 1.00 0.00 C ATOM 1356 O MET A 88 -6.225 2.427 -0.329 1.00 0.00 O ATOM 1357 CB MET A 88 -4.906 3.814 1.895 1.00 0.00 C ATOM 1358 CG MET A 88 -5.712 3.285 3.069 1.00 0.00 C ATOM 1359 SD MET A 88 -6.273 4.594 4.175 1.00 0.00 S ATOM 1360 CE MET A 88 -6.235 3.745 5.752 1.00 0.00 C ATOM 0 H MET A 88 -3.679 4.183 -0.328 1.00 0.00 H new ATOM 0 HA MET A 88 -3.690 2.053 1.683 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.119 4.468 2.270 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.554 4.424 1.265 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.576 2.737 2.693 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.105 2.576 3.631 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.557 4.426 6.540 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.905 2.886 5.719 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.220 3.406 5.958 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.326 0.581 0.592 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.311 -0.323 0.017 1.00 0.00 C ATOM 1372 C PHE A 89 -7.134 -0.990 1.115 1.00 0.00 C ATOM 1373 O PHE A 89 -6.601 -1.732 1.937 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.618 -1.381 -0.842 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.828 -0.804 -1.983 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.465 -0.359 -3.130 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.448 -0.705 -1.907 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.741 0.172 -4.181 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.718 -0.174 -2.955 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.365 0.265 -4.093 1.00 0.00 C ATOM 0 H PHE A 89 -4.620 0.122 1.167 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.985 0.257 -0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.953 -1.971 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.369 -2.064 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.540 -0.428 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.936 -1.046 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.250 0.514 -5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.643 -0.103 -2.883 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.797 0.680 -4.912 1.00 0.00 H new ATOM 1390 N SER A 90 -8.435 -0.717 1.124 1.00 0.00 N ATOM 1391 CA SER A 90 -9.329 -1.289 2.126 1.00 0.00 C ATOM 1392 C SER A 90 -10.075 -2.493 1.567 1.00 0.00 C ATOM 1393 O SER A 90 -10.886 -2.363 0.650 1.00 0.00 O ATOM 1394 CB SER A 90 -10.331 -0.238 2.604 1.00 0.00 C ATOM 1395 OG SER A 90 -9.829 1.073 2.411 1.00 0.00 O ATOM 0 H SER A 90 -8.894 -0.104 0.450 1.00 0.00 H new ATOM 0 HA SER A 90 -8.722 -1.618 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.270 -0.354 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.550 -0.395 3.660 1.00 0.00 H new ATOM 0 HG SER A 90 -10.490 1.726 2.723 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.797 -3.665 2.123 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.446 -4.890 1.675 1.00 0.00 C ATOM 1403 C PHE A 91 -11.662 -5.215 2.536 1.00 0.00 C ATOM 1404 O PHE A 91 -11.600 -5.161 3.765 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.453 -6.052 1.705 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.312 -5.881 0.745 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.418 -4.831 0.890 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.135 -6.767 -0.304 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.369 -4.671 0.006 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.087 -6.612 -1.191 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.203 -5.563 -1.035 1.00 0.00 C ATOM 0 H PHE A 91 -9.129 -3.793 2.883 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.788 -4.738 0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.057 -6.157 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.980 -6.977 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.543 -4.131 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.824 -7.589 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.679 -3.849 0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.960 -7.310 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.382 -5.440 -1.726 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.769 -5.555 1.880 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.005 -5.891 2.581 1.00 0.00 C ATOM 1423 C ASN A 92 -14.107 -7.398 2.802 1.00 0.00 C ATOM 1424 O ASN A 92 -15.164 -7.997 2.604 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.215 -5.396 1.785 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.588 -3.968 2.132 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.081 -3.398 3.098 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.480 -3.381 1.343 1.00 0.00 N ATOM 0 H ASN A 92 -12.835 -5.605 0.863 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.993 -5.398 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.998 -5.463 0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.066 -6.049 1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.770 -2.421 1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.875 -3.890 0.553 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.998 -8.002 3.213 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.946 -9.438 3.464 1.00 0.00 C ATOM 1437 C ASN A 93 -11.535 -9.859 3.846 1.00 0.00 C ATOM 1438 O ASN A 93 -10.628 -9.858 3.014 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.405 -10.214 2.225 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.833 -10.707 2.343 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.487 -10.516 3.367 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.323 -11.347 1.288 1.00 0.00 N ATOM 0 H ASN A 93 -12.117 -7.516 3.380 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.618 -9.666 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.317 -9.574 1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.742 -11.065 2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.279 -11.703 1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.744 -11.482 0.459 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.354 -10.218 5.113 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.049 -10.642 5.605 1.00 0.00 C ATOM 1451 C ARG A 94 -9.476 -11.757 4.739 1.00 0.00 C ATOM 1452 O ARG A 94 -8.270 -11.988 4.729 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.152 -11.109 7.058 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.859 -10.940 7.843 1.00 0.00 C ATOM 1455 CD ARG A 94 -9.102 -10.280 9.192 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.948 -11.222 10.298 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.891 -12.084 10.676 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -11.055 -12.126 10.040 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.668 -12.905 11.693 1.00 0.00 N ATOM 0 H ARG A 94 -12.093 -10.224 5.816 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.376 -9.786 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.945 -10.551 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.443 -12.159 7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.394 -11.915 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.158 -10.338 7.264 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.405 -9.452 9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.106 -9.857 9.213 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.066 -11.220 10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.231 -11.496 9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.773 -12.788 10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.775 -12.876 12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.389 -13.565 11.983 1.00 0.00 H new ATOM 1473 N THR A 95 -10.345 -12.445 4.011 1.00 0.00 N ATOM 1474 CA THR A 95 -9.928 -13.520 3.148 1.00 0.00 C ATOM 1475 C THR A 95 -9.140 -12.981 1.962 1.00 0.00 C ATOM 1476 O THR A 95 -8.084 -13.511 1.612 1.00 0.00 O ATOM 1477 CB THR A 95 -11.156 -14.276 2.680 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.276 -13.973 3.493 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.974 -15.770 2.695 1.00 0.00 C ATOM 0 H THR A 95 -11.350 -12.269 4.008 1.00 0.00 H new ATOM 0 HA THR A 95 -9.274 -14.197 3.697 1.00 0.00 H new ATOM 0 HB THR A 95 -11.318 -13.953 1.652 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.057 -14.470 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.889 -16.251 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.149 -16.043 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.752 -16.099 3.710 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.648 -11.914 1.360 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.972 -11.291 0.227 1.00 0.00 C ATOM 1489 C VAL A 96 -7.659 -10.694 0.693 1.00 0.00 C ATOM 1490 O VAL A 96 -6.605 -10.929 0.102 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.811 -10.171 -0.429 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.609 -10.155 -1.936 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.283 -10.307 -0.081 1.00 0.00 C ATOM 0 H VAL A 96 -10.521 -11.463 1.634 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.814 -12.071 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.463 -9.219 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.210 -9.358 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.557 -9.982 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.916 -11.114 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.845 -9.504 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.653 -11.269 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.409 -10.245 1.000 1.00 0.00 H new ATOM 1503 N MET A 97 -7.736 -9.922 1.769 1.00 0.00 N ATOM 1504 CA MET A 97 -6.554 -9.291 2.335 1.00 0.00 C ATOM 1505 C MET A 97 -5.567 -10.349 2.816 1.00 0.00 C ATOM 1506 O MET A 97 -4.354 -10.182 2.689 1.00 0.00 O ATOM 1507 CB MET A 97 -6.948 -8.351 3.479 1.00 0.00 C ATOM 1508 CG MET A 97 -7.106 -9.033 4.828 1.00 0.00 C ATOM 1509 SD MET A 97 -5.604 -8.962 5.821 1.00 0.00 S ATOM 1510 CE MET A 97 -6.149 -7.895 7.150 1.00 0.00 C ATOM 0 H MET A 97 -8.603 -9.719 2.266 1.00 0.00 H new ATOM 0 HA MET A 97 -6.067 -8.699 1.560 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.193 -7.570 3.567 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.886 -7.860 3.222 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.922 -8.562 5.376 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.386 -10.075 4.674 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.283 -7.533 7.704 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.695 -7.047 6.736 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.802 -8.454 7.821 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.095 -11.445 3.357 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.250 -12.529 3.841 1.00 0.00 C ATOM 1522 C ASP A 98 -4.549 -13.205 2.673 1.00 0.00 C ATOM 1523 O ASP A 98 -3.403 -13.637 2.785 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.075 -13.553 4.626 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.241 -14.724 5.111 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.951 -15.623 4.295 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.878 -14.740 6.306 1.00 0.00 O ATOM 0 H ASP A 98 -7.096 -11.603 3.470 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.500 -12.108 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.538 -13.062 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.883 -13.923 3.995 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.251 -13.281 1.552 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.710 -13.890 0.341 1.00 0.00 C ATOM 1534 C ASN A 99 -3.836 -12.897 -0.418 1.00 0.00 C ATOM 1535 O ASN A 99 -2.899 -13.287 -1.112 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.846 -14.380 -0.560 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.461 -15.674 -0.062 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.756 -16.644 0.215 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.784 -15.693 0.055 1.00 0.00 N ATOM 0 H ASN A 99 -6.202 -12.927 1.454 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.096 -14.742 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.618 -13.612 -0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.467 -14.527 -1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.255 -16.535 0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.329 -14.865 -0.186 1.00 0.00 H new ATOM 1546 N ILE A 100 -4.159 -11.612 -0.286 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.417 -10.554 -0.963 1.00 0.00 C ATOM 1548 C ILE A 100 -2.167 -10.161 -0.182 1.00 0.00 C ATOM 1549 O ILE A 100 -1.050 -10.257 -0.691 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.302 -9.304 -1.170 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.304 -9.555 -2.301 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.453 -8.068 -1.465 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.870 -8.989 -3.635 1.00 0.00 C ATOM 0 H ILE A 100 -4.934 -11.279 0.287 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.115 -10.947 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.850 -9.114 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.459 -10.629 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.265 -9.119 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.104 -7.205 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.779 -7.882 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.870 -8.235 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.629 -9.206 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.743 -7.910 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.925 -9.443 -3.933 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.365 -9.704 1.053 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.256 -9.281 1.905 1.00 0.00 C ATOM 1567 C LYS A 101 -0.097 -10.275 1.843 1.00 0.00 C ATOM 1568 O LYS A 101 1.063 -9.902 2.019 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.728 -9.132 3.352 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.710 -8.458 4.256 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.781 -8.998 5.676 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.151 -8.771 6.292 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.055 -8.311 7.705 1.00 0.00 N ATOM 0 H LYS A 101 -3.284 -9.617 1.486 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.903 -8.318 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.653 -8.555 3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.961 -10.118 3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.292 -8.613 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.886 -7.382 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.555 -10.064 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.021 -8.513 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.695 -8.031 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.726 -9.696 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.896 -7.749 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.999 -9.136 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.203 -7.727 7.823 1.00 0.00 H new ATOM 1587 N MET A 102 -0.420 -11.539 1.586 1.00 0.00 N ATOM 1588 CA MET A 102 0.591 -12.582 1.493 1.00 0.00 C ATOM 1589 C MET A 102 1.267 -12.546 0.131 1.00 0.00 C ATOM 1590 O MET A 102 2.482 -12.717 0.027 1.00 0.00 O ATOM 1591 CB MET A 102 -0.035 -13.953 1.737 1.00 0.00 C ATOM 1592 CG MET A 102 -1.239 -14.233 0.860 1.00 0.00 C ATOM 1593 SD MET A 102 -1.784 -15.945 0.965 1.00 0.00 S ATOM 1594 CE MET A 102 -1.169 -16.564 -0.594 1.00 0.00 C ATOM 0 H MET A 102 -1.376 -11.864 1.439 1.00 0.00 H new ATOM 0 HA MET A 102 1.344 -12.402 2.260 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.717 -14.723 1.564 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.332 -14.027 2.783 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.058 -13.576 1.152 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.994 -13.996 -0.175 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.422 -17.620 -0.692 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.623 -16.005 -1.412 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.086 -16.446 -0.631 1.00 0.00 H new ATOM 1604 N THR A 103 0.477 -12.317 -0.914 1.00 0.00 N ATOM 1605 CA THR A 103 1.003 -12.250 -2.260 1.00 0.00 C ATOM 1606 C THR A 103 2.070 -11.174 -2.367 1.00 0.00 C ATOM 1607 O THR A 103 3.216 -11.455 -2.715 1.00 0.00 O ATOM 1608 CB THR A 103 -0.125 -11.961 -3.241 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.381 -12.272 -2.668 1.00 0.00 O ATOM 1610 CG2 THR A 103 -0.007 -12.736 -4.525 1.00 0.00 C ATOM 0 H THR A 103 -0.531 -12.175 -0.847 1.00 0.00 H new ATOM 0 HA THR A 103 1.457 -13.211 -2.503 1.00 0.00 H new ATOM 0 HB THR A 103 -0.046 -10.897 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.980 -12.620 -3.361 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.841 -12.484 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.931 -12.482 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.025 -13.804 -4.308 1.00 0.00 H new ATOM 1618 N LEU A 104 1.688 -9.940 -2.057 1.00 0.00 N ATOM 1619 CA LEU A 104 2.620 -8.821 -2.106 1.00 0.00 C ATOM 1620 C LEU A 104 3.918 -9.201 -1.406 1.00 0.00 C ATOM 1621 O LEU A 104 5.008 -9.041 -1.956 1.00 0.00 O ATOM 1622 CB LEU A 104 2.014 -7.583 -1.436 1.00 0.00 C ATOM 1623 CG LEU A 104 0.591 -7.218 -1.871 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.147 -6.523 -0.737 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.615 -6.329 -3.103 1.00 0.00 C ATOM 0 H LEU A 104 0.742 -9.690 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 104 2.825 -8.586 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.015 -7.740 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.664 -6.731 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 104 0.065 -8.139 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.156 -6.270 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.199 -7.188 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.385 -5.612 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.406 -6.083 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.160 -5.412 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.108 -6.854 -3.921 1.00 0.00 H new ATOM 1637 N GLN A 105 3.782 -9.718 -0.189 1.00 0.00 N ATOM 1638 CA GLN A 105 4.927 -10.139 0.608 1.00 0.00 C ATOM 1639 C GLN A 105 5.772 -11.171 -0.136 1.00 0.00 C ATOM 1640 O GLN A 105 6.991 -11.030 -0.235 1.00 0.00 O ATOM 1641 CB GLN A 105 4.455 -10.742 1.934 1.00 0.00 C ATOM 1642 CG GLN A 105 4.082 -9.709 2.981 1.00 0.00 C ATOM 1643 CD GLN A 105 5.294 -9.037 3.592 1.00 0.00 C ATOM 1644 OE1 GLN A 105 6.380 -9.615 3.639 1.00 0.00 O ATOM 1645 NE2 GLN A 105 5.112 -7.811 4.065 1.00 0.00 N ATOM 0 H GLN A 105 2.881 -9.856 0.269 1.00 0.00 H new ATOM 0 HA GLN A 105 5.538 -9.257 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.592 -11.381 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.243 -11.381 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.441 -8.953 2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.501 -10.189 3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.193 -7.372 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.891 -7.307 4.490 1.00 0.00 H new ATOM 1654 N GLN A 106 5.120 -12.219 -0.649 1.00 0.00 N ATOM 1655 CA GLN A 106 5.825 -13.278 -1.370 1.00 0.00 C ATOM 1656 C GLN A 106 6.726 -12.693 -2.453 1.00 0.00 C ATOM 1657 O GLN A 106 7.779 -13.246 -2.769 1.00 0.00 O ATOM 1658 CB GLN A 106 4.819 -14.278 -1.966 1.00 0.00 C ATOM 1659 CG GLN A 106 4.609 -14.150 -3.469 1.00 0.00 C ATOM 1660 CD GLN A 106 3.639 -15.182 -4.011 1.00 0.00 C ATOM 1661 OE1 GLN A 106 3.624 -16.330 -3.568 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.822 -14.776 -4.977 1.00 0.00 N ATOM 0 H GLN A 106 4.112 -12.355 -0.578 1.00 0.00 H new ATOM 0 HA GLN A 106 6.461 -13.812 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.159 -15.290 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.859 -14.148 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.236 -13.151 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.568 -14.256 -3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.869 -13.814 -5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.148 -15.426 -5.381 1.00 0.00 H new ATOM 1671 N ILE A 107 6.305 -11.565 -3.009 1.00 0.00 N ATOM 1672 CA ILE A 107 7.067 -10.889 -4.047 1.00 0.00 C ATOM 1673 C ILE A 107 8.115 -9.970 -3.432 1.00 0.00 C ATOM 1674 O ILE A 107 9.298 -10.052 -3.757 1.00 0.00 O ATOM 1675 CB ILE A 107 6.149 -10.070 -4.970 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.896 -10.871 -5.337 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.908 -9.670 -6.217 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.742 -10.011 -5.807 1.00 0.00 C ATOM 0 H ILE A 107 5.434 -11.098 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 107 7.563 -11.658 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 107 5.830 -9.171 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.148 -11.585 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.578 -11.449 -4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.256 -9.090 -6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.772 -9.067 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.243 -10.565 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.890 -10.646 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.462 -9.314 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.042 -9.453 -6.694 1.00 0.00 H new ATOM 1690 N ILE A 108 7.668 -9.100 -2.537 1.00 0.00 N ATOM 1691 CA ILE A 108 8.558 -8.159 -1.856 1.00 0.00 C ATOM 1692 C ILE A 108 9.855 -8.820 -1.426 1.00 0.00 C ATOM 1693 O ILE A 108 10.942 -8.381 -1.792 1.00 0.00 O ATOM 1694 CB ILE A 108 7.896 -7.536 -0.614 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.495 -7.011 -0.965 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.788 -6.438 -0.042 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.202 -5.608 -0.470 1.00 0.00 C ATOM 0 H ILE A 108 6.689 -9.023 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 108 8.772 -7.375 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 108 7.776 -8.300 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.375 -7.032 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.752 -7.691 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.312 -6.003 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.751 -6.862 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.939 -5.663 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.192 -5.322 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.285 -5.581 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.918 -4.911 -0.906 1.00 0.00 H new ATOM 1709 N SER A 109 9.726 -9.874 -0.645 1.00 0.00 N ATOM 1710 CA SER A 109 10.883 -10.611 -0.149 1.00 0.00 C ATOM 1711 C SER A 109 11.868 -10.916 -1.273 1.00 0.00 C ATOM 1712 O SER A 109 13.066 -11.070 -1.037 1.00 0.00 O ATOM 1713 CB SER A 109 10.440 -11.909 0.521 1.00 0.00 C ATOM 1714 OG SER A 109 11.556 -12.669 0.953 1.00 0.00 O ATOM 0 H SER A 109 8.828 -10.245 -0.336 1.00 0.00 H new ATOM 0 HA SER A 109 11.387 -9.983 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.800 -11.681 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.844 -12.497 -0.177 1.00 0.00 H new ATOM 0 HG SER A 109 11.244 -13.494 1.380 1.00 0.00 H new ATOM 1720 N ARG A 110 11.356 -10.998 -2.493 1.00 0.00 N ATOM 1721 CA ARG A 110 12.192 -11.280 -3.651 1.00 0.00 C ATOM 1722 C ARG A 110 13.014 -10.050 -4.037 1.00 0.00 C ATOM 1723 O ARG A 110 14.078 -10.174 -4.636 1.00 0.00 O ATOM 1724 CB ARG A 110 11.335 -11.788 -4.827 1.00 0.00 C ATOM 1725 CG ARG A 110 11.501 -11.015 -6.128 1.00 0.00 C ATOM 1726 CD ARG A 110 10.939 -11.787 -7.309 1.00 0.00 C ATOM 1727 NE ARG A 110 11.980 -12.503 -8.042 1.00 0.00 N ATOM 1728 CZ ARG A 110 11.794 -13.067 -9.234 1.00 0.00 C ATOM 1729 NH1 ARG A 110 10.609 -13.001 -9.830 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.795 -13.698 -9.832 1.00 0.00 N ATOM 0 H ARG A 110 10.366 -10.873 -2.706 1.00 0.00 H new ATOM 0 HA ARG A 110 12.894 -12.072 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 110 11.581 -12.834 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 110 10.286 -11.754 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.996 -10.052 -6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.558 -10.808 -6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.192 -12.497 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.430 -11.098 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 110 12.904 -12.575 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.835 -12.516 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.472 -13.435 -10.743 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.707 -13.751 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.653 -14.130 -10.745 1.00 0.00 H new ATOM 1744 N TYR A 111 12.525 -8.866 -3.676 1.00 0.00 N ATOM 1745 CA TYR A 111 13.240 -7.629 -3.979 1.00 0.00 C ATOM 1746 C TYR A 111 14.438 -7.503 -3.054 1.00 0.00 C ATOM 1747 O TYR A 111 15.491 -6.999 -3.441 1.00 0.00 O ATOM 1748 CB TYR A 111 12.349 -6.386 -3.814 1.00 0.00 C ATOM 1749 CG TYR A 111 10.889 -6.565 -4.189 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.456 -7.640 -4.957 1.00 0.00 C ATOM 1751 CD2 TYR A 111 9.940 -5.642 -3.763 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.127 -7.789 -5.285 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.604 -5.785 -4.089 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.204 -6.863 -4.849 1.00 0.00 C ATOM 1755 OH TYR A 111 6.878 -7.014 -5.171 1.00 0.00 O ATOM 0 H TYR A 111 11.644 -8.737 -3.178 1.00 0.00 H new ATOM 0 HA TYR A 111 13.556 -7.679 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.400 -6.061 -2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.764 -5.581 -4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.173 -8.370 -5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.252 -4.798 -3.166 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.808 -8.630 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.880 -5.058 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 111 6.357 -7.155 -4.353 1.00 0.00 H new ATOM 1765 N LYS A 112 14.266 -7.988 -1.827 1.00 0.00 N ATOM 1766 CA LYS A 112 15.330 -7.956 -0.839 1.00 0.00 C ATOM 1767 C LYS A 112 16.225 -9.141 -1.086 1.00 0.00 C ATOM 1768 O LYS A 112 17.452 -9.043 -1.083 1.00 0.00 O ATOM 1769 CB LYS A 112 14.798 -7.999 0.600 1.00 0.00 C ATOM 1770 CG LYS A 112 13.318 -8.279 0.692 1.00 0.00 C ATOM 1771 CD LYS A 112 12.529 -7.143 0.088 1.00 0.00 C ATOM 1772 CE LYS A 112 12.648 -5.886 0.916 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.442 -5.022 0.799 1.00 0.00 N ATOM 0 H LYS A 112 13.397 -8.408 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 112 15.874 -7.017 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.339 -8.765 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.009 -7.046 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.084 -9.209 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.031 -8.415 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.885 -6.949 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.480 -7.429 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.801 -6.154 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.527 -5.325 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.697 -4.038 1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.071 -5.074 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.714 -5.349 1.466 1.00 0.00 H new ATOM 1787 N ASP A 113 15.572 -10.262 -1.337 1.00 0.00 N ATOM 1788 CA ASP A 113 16.267 -11.499 -1.639 1.00 0.00 C ATOM 1789 C ASP A 113 17.080 -11.312 -2.908 1.00 0.00 C ATOM 1790 O ASP A 113 18.158 -11.883 -3.066 1.00 0.00 O ATOM 1791 CB ASP A 113 15.277 -12.653 -1.806 1.00 0.00 C ATOM 1792 CG ASP A 113 15.969 -13.998 -1.917 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.783 -14.171 -2.849 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.698 -14.876 -1.073 1.00 0.00 O ATOM 0 H ASP A 113 14.555 -10.340 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 113 16.931 -11.748 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.594 -12.668 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.673 -12.484 -2.697 1.00 0.00 H new ATOM 1799 N ALA A 114 16.555 -10.477 -3.800 1.00 0.00 N ATOM 1800 CA ALA A 114 17.227 -10.174 -5.049 1.00 0.00 C ATOM 1801 C ALA A 114 18.097 -8.930 -4.901 1.00 0.00 C ATOM 1802 O ALA A 114 18.999 -8.693 -5.704 1.00 0.00 O ATOM 1803 CB ALA A 114 16.221 -9.992 -6.175 1.00 0.00 C ATOM 0 H ALA A 114 15.663 -9.999 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 114 17.870 -11.017 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.749 -9.766 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.645 -10.909 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.547 -9.171 -5.931 1.00 0.00 H new ATOM 1809 N ASP A 115 17.819 -8.134 -3.866 1.00 0.00 N ATOM 1810 CA ASP A 115 18.580 -6.912 -3.614 1.00 0.00 C ATOM 1811 C ASP A 115 20.083 -7.183 -3.645 1.00 0.00 C ATOM 1812 O ASP A 115 20.841 -6.263 -4.016 1.00 0.00 O ATOM 1813 CB ASP A 115 18.189 -6.312 -2.262 1.00 0.00 C ATOM 1814 CG ASP A 115 18.899 -5.001 -1.983 1.00 0.00 C ATOM 1815 OD1 ASP A 115 19.170 -4.255 -2.948 1.00 0.00 O ATOM 1816 OD2 ASP A 115 19.184 -4.720 -0.799 1.00 0.00 O ATOM 0 H ASP A 115 17.075 -8.314 -3.192 1.00 0.00 H new ATOM 0 HA ASP A 115 18.342 -6.201 -4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.111 -6.151 -2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.423 -7.024 -1.471 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N ASP B 661 -13.928 7.537 7.933 1.00 0.00 N ATOM 1823 CA ASP B 661 -15.036 7.160 8.850 1.00 0.00 C ATOM 1824 C ASP B 661 -16.379 7.186 8.130 1.00 0.00 C ATOM 1825 O ASP B 661 -17.380 7.648 8.678 1.00 0.00 O ATOM 1826 CB ASP B 661 -15.047 8.135 10.027 1.00 0.00 C ATOM 1827 CG ASP B 661 -13.841 7.965 10.931 1.00 0.00 C ATOM 1828 OD1 ASP B 661 -12.803 8.603 10.661 1.00 0.00 O ATOM 1829 OD2 ASP B 661 -13.936 7.192 11.908 1.00 0.00 O ATOM 0 HA ASP B 661 -14.876 6.143 9.207 1.00 0.00 H new ATOM 0 HB2 ASP B 661 -15.072 9.157 9.648 1.00 0.00 H new ATOM 0 HB3 ASP B 661 -15.957 7.988 10.609 1.00 0.00 H new ATOM 1834 N LEU B 662 -16.396 6.689 6.897 1.00 0.00 N ATOM 1835 CA LEU B 662 -17.617 6.656 6.102 1.00 0.00 C ATOM 1836 C LEU B 662 -18.354 5.334 6.291 1.00 0.00 C ATOM 1837 O LEU B 662 -19.581 5.281 6.221 1.00 0.00 O ATOM 1838 CB LEU B 662 -17.292 6.865 4.621 1.00 0.00 C ATOM 1839 CG LEU B 662 -18.343 7.647 3.832 1.00 0.00 C ATOM 1840 CD1 LEU B 662 -17.692 8.418 2.694 1.00 0.00 C ATOM 1841 CD2 LEU B 662 -19.414 6.708 3.298 1.00 0.00 C ATOM 0 H LEU B 662 -15.577 6.303 6.427 1.00 0.00 H new ATOM 0 HA LEU B 662 -18.264 7.464 6.443 1.00 0.00 H new ATOM 0 HB2 LEU B 662 -16.339 7.388 4.544 1.00 0.00 H new ATOM 0 HB3 LEU B 662 -17.159 5.890 4.153 1.00 0.00 H new ATOM 0 HG LEU B 662 -18.817 8.363 4.504 1.00 0.00 H new ATOM 0 HD11 LEU B 662 -18.455 8.968 2.144 1.00 0.00 H new ATOM 0 HD12 LEU B 662 -16.962 9.118 3.100 1.00 0.00 H new ATOM 0 HD13 LEU B 662 -17.192 7.721 2.022 1.00 0.00 H new ATOM 0 HD21 LEU B 662 -20.154 7.281 2.739 1.00 0.00 H new ATOM 0 HD22 LEU B 662 -18.955 5.969 2.641 1.00 0.00 H new ATOM 0 HD23 LEU B 662 -19.901 6.201 4.131 1.00 0.00 H new ATOM 1853 N GLU B 663 -17.596 4.268 6.529 1.00 0.00 N ATOM 1854 CA GLU B 663 -18.177 2.945 6.728 1.00 0.00 C ATOM 1855 C GLU B 663 -17.096 1.921 7.056 1.00 0.00 C ATOM 1856 O GLU B 663 -16.461 1.365 6.159 1.00 0.00 O ATOM 1857 CB GLU B 663 -18.947 2.511 5.480 1.00 0.00 C ATOM 1858 CG GLU B 663 -18.088 2.446 4.227 1.00 0.00 C ATOM 1859 CD GLU B 663 -18.843 2.870 2.982 1.00 0.00 C ATOM 1860 OE1 GLU B 663 -19.585 3.872 3.049 1.00 0.00 O ATOM 1861 OE2 GLU B 663 -18.691 2.200 1.940 1.00 0.00 O ATOM 0 H GLU B 663 -16.578 4.295 6.589 1.00 0.00 H new ATOM 0 HA GLU B 663 -18.867 3.000 7.570 1.00 0.00 H new ATOM 0 HB2 GLU B 663 -19.389 1.531 5.659 1.00 0.00 H new ATOM 0 HB3 GLU B 663 -19.770 3.206 5.311 1.00 0.00 H new ATOM 0 HG2 GLU B 663 -17.216 3.087 4.355 1.00 0.00 H new ATOM 0 HG3 GLU B 663 -17.719 1.429 4.096 1.00 0.00 H new ATOM 1868 N VAL B 664 -16.892 1.674 8.346 1.00 0.00 N ATOM 1869 CA VAL B 664 -15.889 0.716 8.792 1.00 0.00 C ATOM 1870 C VAL B 664 -14.488 1.159 8.384 1.00 0.00 C ATOM 1871 O VAL B 664 -13.957 0.712 7.366 1.00 0.00 O ATOM 1872 CB VAL B 664 -16.158 -0.688 8.220 1.00 0.00 C ATOM 1873 CG1 VAL B 664 -15.225 -1.710 8.849 1.00 0.00 C ATOM 1874 CG2 VAL B 664 -17.613 -1.080 8.432 1.00 0.00 C ATOM 0 H VAL B 664 -17.409 2.125 9.101 1.00 0.00 H new ATOM 0 HA VAL B 664 -15.953 0.674 9.879 1.00 0.00 H new ATOM 0 HB VAL B 664 -15.964 -0.667 7.148 1.00 0.00 H new ATOM 0 HG11 VAL B 664 -15.431 -2.696 8.432 1.00 0.00 H new ATOM 0 HG12 VAL B 664 -14.191 -1.436 8.640 1.00 0.00 H new ATOM 0 HG13 VAL B 664 -15.383 -1.732 9.927 1.00 0.00 H new ATOM 0 HG21 VAL B 664 -17.785 -2.075 8.022 1.00 0.00 H new ATOM 0 HG22 VAL B 664 -17.837 -1.084 9.499 1.00 0.00 H new ATOM 0 HG23 VAL B 664 -18.260 -0.363 7.928 1.00 0.00 H new ATOM 1884 N LEU B 665 -13.893 2.038 9.183 1.00 0.00 N ATOM 1885 CA LEU B 665 -12.553 2.541 8.904 1.00 0.00 C ATOM 1886 C LEU B 665 -11.770 2.747 10.197 1.00 0.00 C ATOM 1887 O LEU B 665 -12.340 3.090 11.233 1.00 0.00 O ATOM 1888 CB LEU B 665 -12.632 3.855 8.122 1.00 0.00 C ATOM 1889 CG LEU B 665 -11.784 3.903 6.850 1.00 0.00 C ATOM 1890 CD1 LEU B 665 -10.336 3.557 7.160 1.00 0.00 C ATOM 1891 CD2 LEU B 665 -12.347 2.959 5.799 1.00 0.00 C ATOM 0 H LEU B 665 -14.318 2.417 10.029 1.00 0.00 H new ATOM 0 HA LEU B 665 -12.030 1.800 8.300 1.00 0.00 H new ATOM 0 HB2 LEU B 665 -13.672 4.039 7.854 1.00 0.00 H new ATOM 0 HB3 LEU B 665 -12.323 4.669 8.777 1.00 0.00 H new ATOM 0 HG LEU B 665 -11.816 4.918 6.453 1.00 0.00 H new ATOM 0 HD11 LEU B 665 -9.748 3.596 6.243 1.00 0.00 H new ATOM 0 HD12 LEU B 665 -9.937 4.273 7.878 1.00 0.00 H new ATOM 0 HD13 LEU B 665 -10.284 2.553 7.581 1.00 0.00 H new ATOM 0 HD21 LEU B 665 -11.731 3.006 4.901 1.00 0.00 H new ATOM 0 HD22 LEU B 665 -12.346 1.940 6.187 1.00 0.00 H new ATOM 0 HD23 LEU B 665 -13.368 3.253 5.555 1.00 0.00 H new ATOM 1903 N SER B 666 -10.459 2.536 10.129 1.00 0.00 N ATOM 1904 CA SER B 666 -9.596 2.698 11.294 1.00 0.00 C ATOM 1905 C SER B 666 -8.127 2.702 10.885 1.00 0.00 C ATOM 1906 O SER B 666 -7.490 1.651 10.809 1.00 0.00 O ATOM 1907 CB SER B 666 -9.854 1.579 12.305 1.00 0.00 C ATOM 1908 OG SER B 666 -9.618 2.025 13.629 1.00 0.00 O ATOM 0 H SER B 666 -9.971 2.252 9.279 1.00 0.00 H new ATOM 0 HA SER B 666 -9.828 3.657 11.758 1.00 0.00 H new ATOM 0 HB2 SER B 666 -10.883 1.231 12.213 1.00 0.00 H new ATOM 0 HB3 SER B 666 -9.209 0.729 12.084 1.00 0.00 H new ATOM 0 HG SER B 666 -9.791 1.293 14.257 1.00 0.00 H new ATOM 1914 N GLU B 667 -7.594 3.891 10.622 1.00 0.00 N ATOM 1915 CA GLU B 667 -6.198 4.032 10.220 1.00 0.00 C ATOM 1916 C GLU B 667 -5.298 4.319 11.414 1.00 0.00 C ATOM 1917 O GLU B 667 -4.178 4.808 11.264 1.00 0.00 O ATOM 1918 CB GLU B 667 -6.046 5.129 9.164 1.00 0.00 C ATOM 1919 CG GLU B 667 -6.358 6.523 9.683 1.00 0.00 C ATOM 1920 CD GLU B 667 -7.730 7.009 9.257 1.00 0.00 C ATOM 1921 OE1 GLU B 667 -8.733 6.377 9.652 1.00 0.00 O ATOM 1922 OE2 GLU B 667 -7.801 8.022 8.529 1.00 0.00 O ATOM 0 H GLU B 667 -8.107 4.771 10.680 1.00 0.00 H new ATOM 0 HA GLU B 667 -5.886 3.082 9.786 1.00 0.00 H new ATOM 0 HB2 GLU B 667 -5.026 5.113 8.781 1.00 0.00 H new ATOM 0 HB3 GLU B 667 -6.705 4.907 8.325 1.00 0.00 H new ATOM 0 HG2 GLU B 667 -6.298 6.524 10.771 1.00 0.00 H new ATOM 0 HG3 GLU B 667 -5.601 7.219 9.322 1.00 0.00 H new ATOM 1929 N GLU B 668 -5.802 4.010 12.593 1.00 0.00 N ATOM 1930 CA GLU B 668 -5.059 4.225 13.830 1.00 0.00 C ATOM 1931 C GLU B 668 -4.479 2.916 14.357 1.00 0.00 C ATOM 1932 O GLU B 668 -3.529 2.920 15.141 1.00 0.00 O ATOM 1933 CB GLU B 668 -5.964 4.858 14.889 1.00 0.00 C ATOM 1934 CG GLU B 668 -6.044 6.374 14.794 1.00 0.00 C ATOM 1935 CD GLU B 668 -5.183 7.069 15.830 1.00 0.00 C ATOM 1936 OE1 GLU B 668 -3.942 6.983 15.724 1.00 0.00 O ATOM 1937 OE2 GLU B 668 -5.750 7.699 16.747 1.00 0.00 O ATOM 0 H GLU B 668 -6.729 3.606 12.726 1.00 0.00 H new ATOM 0 HA GLU B 668 -4.233 4.903 13.613 1.00 0.00 H new ATOM 0 HB2 GLU B 668 -6.967 4.443 14.793 1.00 0.00 H new ATOM 0 HB3 GLU B 668 -5.599 4.583 15.878 1.00 0.00 H new ATOM 0 HG2 GLU B 668 -5.733 6.689 13.798 1.00 0.00 H new ATOM 0 HG3 GLU B 668 -7.080 6.688 14.918 1.00 0.00 H new ATOM 1944 N LEU B 669 -5.052 1.800 13.923 1.00 0.00 N ATOM 1945 CA LEU B 669 -4.590 0.484 14.352 1.00 0.00 C ATOM 1946 C LEU B 669 -3.882 -0.249 13.214 1.00 0.00 C ATOM 1947 O LEU B 669 -3.745 -1.471 13.244 1.00 0.00 O ATOM 1948 CB LEU B 669 -5.766 -0.352 14.857 1.00 0.00 C ATOM 1949 CG LEU B 669 -7.056 -0.214 14.046 1.00 0.00 C ATOM 1950 CD1 LEU B 669 -6.828 -0.641 12.604 1.00 0.00 C ATOM 1951 CD2 LEU B 669 -8.171 -1.034 14.677 1.00 0.00 C ATOM 0 H LEU B 669 -5.838 1.779 13.274 1.00 0.00 H new ATOM 0 HA LEU B 669 -3.877 0.627 15.164 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -5.470 -1.401 14.863 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -5.973 -0.073 15.890 1.00 0.00 H new ATOM 0 HG LEU B 669 -7.355 0.834 14.050 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -7.756 -0.536 12.042 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -6.059 -0.012 12.155 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -6.505 -1.682 12.579 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -9.081 -0.925 14.088 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -7.880 -2.084 14.704 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -8.352 -0.682 15.693 1.00 0.00 H new ATOM 1963 N PHE B 670 -3.434 0.503 12.212 1.00 0.00 N ATOM 1964 CA PHE B 670 -2.742 -0.082 11.069 1.00 0.00 C ATOM 1965 C PHE B 670 -1.380 -0.630 11.482 1.00 0.00 C ATOM 1966 O PHE B 670 -0.566 0.080 12.073 1.00 0.00 O ATOM 1967 CB PHE B 670 -2.573 0.961 9.961 1.00 0.00 C ATOM 1968 CG PHE B 670 -3.603 0.852 8.873 1.00 0.00 C ATOM 1969 CD1 PHE B 670 -4.955 0.863 9.177 1.00 0.00 C ATOM 1970 CD2 PHE B 670 -3.219 0.738 7.546 1.00 0.00 C ATOM 1971 CE1 PHE B 670 -5.904 0.763 8.177 1.00 0.00 C ATOM 1972 CE2 PHE B 670 -4.164 0.637 6.543 1.00 0.00 C ATOM 1973 CZ PHE B 670 -5.509 0.650 6.859 1.00 0.00 C ATOM 0 H PHE B 670 -3.538 1.517 12.169 1.00 0.00 H new ATOM 0 HA PHE B 670 -3.346 -0.907 10.691 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -2.624 1.957 10.400 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -1.581 0.856 9.523 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -5.271 0.951 10.206 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -2.169 0.728 7.293 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.955 0.773 8.427 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.852 0.548 5.513 1.00 0.00 H new ATOM 0 HZ PHE B 670 -6.250 0.572 6.077 1.00 0.00 H new ATOM 1983 N GLU B 671 -1.139 -1.899 11.167 1.00 0.00 N ATOM 1984 CA GLU B 671 0.125 -2.543 11.505 1.00 0.00 C ATOM 1985 C GLU B 671 1.045 -2.607 10.289 1.00 0.00 C ATOM 1986 O GLU B 671 0.632 -2.303 9.169 1.00 0.00 O ATOM 1987 CB GLU B 671 -0.124 -3.952 12.047 1.00 0.00 C ATOM 1988 CG GLU B 671 -0.203 -4.014 13.563 1.00 0.00 C ATOM 1989 CD GLU B 671 0.440 -5.266 14.130 1.00 0.00 C ATOM 1990 OE1 GLU B 671 1.490 -5.686 13.599 1.00 0.00 O ATOM 1991 OE2 GLU B 671 -0.106 -5.825 15.103 1.00 0.00 O ATOM 0 H GLU B 671 -1.802 -2.501 10.679 1.00 0.00 H new ATOM 0 HA GLU B 671 0.613 -1.947 12.276 1.00 0.00 H new ATOM 0 HB2 GLU B 671 -1.054 -4.335 11.627 1.00 0.00 H new ATOM 0 HB3 GLU B 671 0.675 -4.610 11.706 1.00 0.00 H new ATOM 0 HG2 GLU B 671 0.286 -3.136 13.985 1.00 0.00 H new ATOM 0 HG3 GLU B 671 -1.248 -3.975 13.871 1.00 0.00 H new ATOM 1998 N ASP B 672 2.292 -3.005 10.516 1.00 0.00 N ATOM 1999 CA ASP B 672 3.271 -3.108 9.440 1.00 0.00 C ATOM 2000 C ASP B 672 3.623 -4.565 9.161 1.00 0.00 C ATOM 2001 O ASP B 672 4.139 -5.267 10.031 1.00 0.00 O ATOM 2002 CB ASP B 672 4.535 -2.325 9.795 1.00 0.00 C ATOM 2003 CG ASP B 672 5.520 -2.265 8.644 1.00 0.00 C ATOM 2004 OD1 ASP B 672 5.264 -1.513 7.682 1.00 0.00 O ATOM 2005 OD2 ASP B 672 6.549 -2.971 8.707 1.00 0.00 O ATOM 0 H ASP B 672 2.649 -3.262 11.436 1.00 0.00 H new ATOM 0 HA ASP B 672 2.829 -2.682 8.540 1.00 0.00 H new ATOM 0 HB2 ASP B 672 4.261 -1.312 10.088 1.00 0.00 H new ATOM 0 HB3 ASP B 672 5.016 -2.787 10.657 1.00 0.00 H new ATOM 2010 N VAL B 673 3.342 -5.014 7.942 1.00 0.00 N ATOM 2011 CA VAL B 673 3.631 -6.388 7.547 1.00 0.00 C ATOM 2012 C VAL B 673 5.138 -6.639 7.515 1.00 0.00 C ATOM 2013 O VAL B 673 5.898 -5.819 7.000 1.00 0.00 O ATOM 2014 CB VAL B 673 3.042 -6.713 6.160 1.00 0.00 C ATOM 2015 CG1 VAL B 673 3.008 -8.216 5.930 1.00 0.00 C ATOM 2016 CG2 VAL B 673 1.651 -6.115 6.008 1.00 0.00 C ATOM 0 H VAL B 673 2.914 -4.446 7.210 1.00 0.00 H new ATOM 0 HA VAL B 673 3.167 -7.036 8.290 1.00 0.00 H new ATOM 0 HB VAL B 673 3.688 -6.265 5.405 1.00 0.00 H new ATOM 0 HG11 VAL B 673 2.589 -8.424 4.946 1.00 0.00 H new ATOM 0 HG12 VAL B 673 4.021 -8.616 5.985 1.00 0.00 H new ATOM 0 HG13 VAL B 673 2.390 -8.687 6.694 1.00 0.00 H new ATOM 0 HG21 VAL B 673 1.256 -6.358 5.021 1.00 0.00 H new ATOM 0 HG22 VAL B 673 0.993 -6.526 6.773 1.00 0.00 H new ATOM 0 HG23 VAL B 673 1.706 -5.032 6.120 1.00 0.00 H new ATOM 2026 N PRO B 674 5.596 -7.777 8.068 1.00 0.00 N ATOM 2027 CA PRO B 674 7.022 -8.120 8.096 1.00 0.00 C ATOM 2028 C PRO B 674 7.561 -8.478 6.715 1.00 0.00 C ATOM 2029 O PRO B 674 6.998 -9.321 6.017 1.00 0.00 O ATOM 2030 CB PRO B 674 7.076 -9.336 9.023 1.00 0.00 C ATOM 2031 CG PRO B 674 5.725 -9.954 8.915 1.00 0.00 C ATOM 2032 CD PRO B 674 4.765 -8.815 8.709 1.00 0.00 C ATOM 0 HA PRO B 674 7.635 -7.284 8.431 1.00 0.00 H new ATOM 0 HB2 PRO B 674 7.856 -10.033 8.717 1.00 0.00 H new ATOM 0 HB3 PRO B 674 7.296 -9.042 10.049 1.00 0.00 H new ATOM 0 HG2 PRO B 674 5.682 -10.656 8.082 1.00 0.00 H new ATOM 0 HG3 PRO B 674 5.479 -10.514 9.817 1.00 0.00 H new ATOM 0 HD2 PRO B 674 3.927 -9.106 8.076 1.00 0.00 H new ATOM 0 HD3 PRO B 674 4.346 -8.467 9.653 1.00 0.00 H new ATOM 2040 N THR B 675 8.658 -7.833 6.329 1.00 0.00 N ATOM 2041 CA THR B 675 9.279 -8.084 5.031 1.00 0.00 C ATOM 2042 C THR B 675 10.748 -8.460 5.199 1.00 0.00 C ATOM 2043 O THR B 675 11.389 -8.080 6.179 1.00 0.00 O ATOM 2044 CB THR B 675 9.152 -6.852 4.131 1.00 0.00 C ATOM 2045 OG1 THR B 675 8.746 -5.720 4.879 1.00 0.00 O ATOM 2046 CG2 THR B 675 8.160 -7.037 3.002 1.00 0.00 C ATOM 0 H THR B 675 9.136 -7.133 6.896 1.00 0.00 H new ATOM 0 HA THR B 675 8.759 -8.919 4.561 1.00 0.00 H new ATOM 0 HB THR B 675 10.144 -6.705 3.703 1.00 0.00 H new ATOM 0 HG1 THR B 675 8.673 -4.944 4.285 1.00 0.00 H new ATOM 0 HG21 THR B 675 8.118 -6.128 2.402 1.00 0.00 H new ATOM 0 HG22 THR B 675 8.474 -7.871 2.375 1.00 0.00 H new ATOM 0 HG23 THR B 675 7.173 -7.245 3.415 1.00 0.00 H new ATOM 2054 N LYS B 676 11.275 -9.211 4.238 1.00 0.00 N ATOM 2055 CA LYS B 676 12.669 -9.639 4.280 1.00 0.00 C ATOM 2056 C LYS B 676 13.608 -8.437 4.331 1.00 0.00 C ATOM 2057 O LYS B 676 13.323 -7.389 3.750 1.00 0.00 O ATOM 2058 CB LYS B 676 12.994 -10.507 3.061 1.00 0.00 C ATOM 2059 CG LYS B 676 13.211 -11.973 3.399 1.00 0.00 C ATOM 2060 CD LYS B 676 14.539 -12.192 4.103 1.00 0.00 C ATOM 2061 CE LYS B 676 14.461 -13.340 5.098 1.00 0.00 C ATOM 2062 NZ LYS B 676 15.764 -14.050 5.229 1.00 0.00 N ATOM 0 H LYS B 676 10.758 -9.536 3.421 1.00 0.00 H new ATOM 0 HA LYS B 676 12.816 -10.227 5.186 1.00 0.00 H new ATOM 0 HB2 LYS B 676 12.181 -10.425 2.340 1.00 0.00 H new ATOM 0 HB3 LYS B 676 13.890 -10.118 2.577 1.00 0.00 H new ATOM 0 HG2 LYS B 676 12.399 -12.325 4.035 1.00 0.00 H new ATOM 0 HG3 LYS B 676 13.180 -12.566 2.485 1.00 0.00 H new ATOM 0 HD2 LYS B 676 15.313 -12.401 3.365 1.00 0.00 H new ATOM 0 HD3 LYS B 676 14.832 -11.279 4.622 1.00 0.00 H new ATOM 0 HE2 LYS B 676 14.157 -12.956 6.072 1.00 0.00 H new ATOM 0 HE3 LYS B 676 13.693 -14.045 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 15.669 -14.825 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 16.042 -14.438 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 16.491 -13.383 5.558 1.00 0.00 H new ATOM 2076 N SER B 677 14.726 -8.595 5.032 1.00 0.00 N ATOM 2077 CA SER B 677 15.705 -7.523 5.159 1.00 0.00 C ATOM 2078 C SER B 677 16.957 -8.012 5.882 1.00 0.00 C ATOM 2079 O SER B 677 16.962 -8.159 7.104 1.00 0.00 O ATOM 2080 CB SER B 677 15.099 -6.336 5.912 1.00 0.00 C ATOM 2081 OG SER B 677 14.341 -5.513 5.042 1.00 0.00 O ATOM 0 H SER B 677 14.976 -9.455 5.520 1.00 0.00 H new ATOM 0 HA SER B 677 15.987 -7.203 4.156 1.00 0.00 H new ATOM 0 HB2 SER B 677 14.463 -6.700 6.719 1.00 0.00 H new ATOM 0 HB3 SER B 677 15.894 -5.749 6.372 1.00 0.00 H new ATOM 0 HG SER B 677 14.236 -5.961 4.177 1.00 0.00 H new ATOM 2087 N GLN B 678 18.016 -8.261 5.118 1.00 0.00 N ATOM 2088 CA GLN B 678 19.272 -8.733 5.686 1.00 0.00 C ATOM 2089 C GLN B 678 20.266 -7.585 5.838 1.00 0.00 C ATOM 2090 O GLN B 678 20.020 -6.472 5.374 1.00 0.00 O ATOM 2091 CB GLN B 678 19.875 -9.829 4.805 1.00 0.00 C ATOM 2092 CG GLN B 678 19.269 -11.203 5.045 1.00 0.00 C ATOM 2093 CD GLN B 678 20.302 -12.311 4.994 1.00 0.00 C ATOM 2094 OE1 GLN B 678 21.448 -12.127 5.403 1.00 0.00 O ATOM 2095 NE2 GLN B 678 19.900 -13.472 4.490 1.00 0.00 N ATOM 0 H GLN B 678 18.029 -8.144 4.105 1.00 0.00 H new ATOM 0 HA GLN B 678 19.063 -9.143 6.674 1.00 0.00 H new ATOM 0 HB2 GLN B 678 19.739 -9.558 3.758 1.00 0.00 H new ATOM 0 HB3 GLN B 678 20.949 -9.878 4.984 1.00 0.00 H new ATOM 0 HG2 GLN B 678 18.777 -11.214 6.017 1.00 0.00 H new ATOM 0 HG3 GLN B 678 18.500 -11.393 4.296 1.00 0.00 H new ATOM 0 HE21 GLN B 678 18.940 -13.581 4.162 1.00 0.00 H new ATOM 0 HE22 GLN B 678 20.551 -14.255 4.431 1.00 0.00 H new ATOM 2104 N ILE B 679 21.389 -7.864 6.492 1.00 0.00 N ATOM 2105 CA ILE B 679 22.419 -6.856 6.706 1.00 0.00 C ATOM 2106 C ILE B 679 23.801 -7.493 6.800 1.00 0.00 C ATOM 2107 O ILE B 679 24.682 -6.992 7.498 1.00 0.00 O ATOM 2108 CB ILE B 679 22.153 -6.038 7.987 1.00 0.00 C ATOM 2109 CG1 ILE B 679 22.164 -6.948 9.219 1.00 0.00 C ATOM 2110 CG2 ILE B 679 20.830 -5.295 7.876 1.00 0.00 C ATOM 2111 CD1 ILE B 679 20.989 -7.901 9.285 1.00 0.00 C ATOM 0 H ILE B 679 21.608 -8.780 6.883 1.00 0.00 H new ATOM 0 HA ILE B 679 22.388 -6.187 5.846 1.00 0.00 H new ATOM 0 HB ILE B 679 22.950 -5.303 8.101 1.00 0.00 H new ATOM 0 HG12 ILE B 679 23.089 -7.525 9.225 1.00 0.00 H new ATOM 0 HG13 ILE B 679 22.169 -6.329 10.116 1.00 0.00 H new ATOM 0 HG21 ILE B 679 20.657 -4.723 8.787 1.00 0.00 H new ATOM 0 HG22 ILE B 679 20.864 -4.617 7.023 1.00 0.00 H new ATOM 0 HG23 ILE B 679 20.021 -6.012 7.738 1.00 0.00 H new ATOM 0 HD11 ILE B 679 21.066 -8.512 10.184 1.00 0.00 H new ATOM 0 HD12 ILE B 679 20.060 -7.332 9.312 1.00 0.00 H new ATOM 0 HD13 ILE B 679 20.994 -8.546 8.406 1.00 0.00 H new ATOM 2123 N SER B 680 23.984 -8.603 6.092 1.00 0.00 N ATOM 2124 CA SER B 680 25.260 -9.311 6.095 1.00 0.00 C ATOM 2125 C SER B 680 25.620 -9.776 7.501 1.00 0.00 C ATOM 2126 O SER B 680 26.769 -10.224 7.699 1.00 0.00 O ATOM 2127 CB SER B 680 26.366 -8.410 5.542 1.00 0.00 C ATOM 2128 OG SER B 680 26.494 -8.560 4.139 1.00 0.00 O ATOM 0 H SER B 680 23.265 -9.032 5.509 1.00 0.00 H new ATOM 0 HA SER B 680 25.163 -10.189 5.457 1.00 0.00 H new ATOM 0 HB2 SER B 680 26.145 -7.370 5.781 1.00 0.00 H new ATOM 0 HB3 SER B 680 27.313 -8.653 6.024 1.00 0.00 H new ATOM 0 HG SER B 680 27.206 -7.972 3.811 1.00 0.00 H new TER 2134 SER B 680