USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 94 THR OG1 : rot 180:sc= -1.07 USER MOD Set 1.2: A 97 GLN : amide:sc= -0.0055 K(o=-1.1,f=-2.3) USER MOD Set 2.1: A 27 ASN : amide:sc= -12.7! C(o=-19!,f=-37!) USER MOD Set 2.2: A 29 GLN : amide:sc= -7.11! C(o=-19!,f=-19!) USER MOD Set 2.3: A 101 SER OG : rot 80:sc= 0.851 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -5.46! C(o=-5.5!,f=-6.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -61:sc= 0.401 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.32) USER MOD Single : A 48 SER OG : rot -109:sc= -0.31 USER MOD Single : A 50 SER OG : rot 180:sc= 0.307 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.0149 X(o=0.015,f=-0.19) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -3.89! C(o=-3.9!,f=-4.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -7.18! C(o=-7.2!,f=-5.6!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.71) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 155:sc= -2.49 (180deg=-5.81!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 99 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.4!) USER MOD Single : A 100 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.51) USER MOD Single : A 104 HIS : no HE2:sc= -7.38! C(o=-7.4!,f=-7.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -10.063 -9.389 -4.963 1.00 0.00 N ATOM 49 CA TYR A 7 -8.623 -9.290 -4.793 1.00 0.00 C ATOM 50 C TYR A 7 -8.242 -7.988 -4.089 1.00 0.00 C ATOM 51 O TYR A 7 -7.283 -7.323 -4.481 1.00 0.00 O ATOM 52 CB TYR A 7 -8.031 -9.287 -6.203 1.00 0.00 C ATOM 53 CG TYR A 7 -8.184 -7.954 -6.938 1.00 0.00 C ATOM 54 CD1 TYR A 7 -9.075 -7.009 -6.474 1.00 0.00 C ATOM 55 CD2 TYR A 7 -7.431 -7.697 -8.066 1.00 0.00 C ATOM 56 CE1 TYR A 7 -9.219 -5.754 -7.166 1.00 0.00 C ATOM 57 CE2 TYR A 7 -7.574 -6.444 -8.759 1.00 0.00 C ATOM 58 CZ TYR A 7 -8.461 -5.533 -8.275 1.00 0.00 C ATOM 0 HA TYR A 7 -8.251 -10.115 -4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.972 -9.537 -6.142 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.511 -10.071 -6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.665 -7.210 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.734 -8.437 -8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.913 -5.005 -6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.991 -6.232 -9.643 1.00 0.00 H new ATOM 59 N ARG A 8 -9.012 -7.659 -3.062 1.00 0.00 N ATOM 60 CA ARG A 8 -8.767 -6.447 -2.300 1.00 0.00 C ATOM 61 C ARG A 8 -7.570 -6.639 -1.366 1.00 0.00 C ATOM 62 O ARG A 8 -7.048 -7.745 -1.242 1.00 0.00 O ATOM 63 CB ARG A 8 -9.994 -6.060 -1.471 1.00 0.00 C ATOM 64 CG ARG A 8 -9.987 -6.771 -0.117 1.00 0.00 C ATOM 65 CD ARG A 8 -9.900 -8.289 -0.295 1.00 0.00 C ATOM 66 NE ARG A 8 -9.714 -8.943 1.019 1.00 0.00 N ATOM 67 CZ ARG A 8 -9.930 -10.246 1.246 1.00 0.00 C ATOM 0 H ARG A 8 -9.807 -8.212 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.554 -5.647 -3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.009 -4.981 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.902 -6.318 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.142 -6.422 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.892 -6.517 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.808 -8.660 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.070 -8.539 -0.956 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.402 -8.366 1.800 1.00 0.00 H new ATOM 68 N ILE A 9 -7.169 -5.544 -0.736 1.00 0.00 N ATOM 69 CA ILE A 9 -6.043 -5.579 0.182 1.00 0.00 C ATOM 70 C ILE A 9 -6.484 -5.038 1.543 1.00 0.00 C ATOM 71 O ILE A 9 -6.080 -3.947 1.941 1.00 0.00 O ATOM 72 CB ILE A 9 -4.844 -4.840 -0.415 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.591 -5.281 -1.858 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.603 -5.011 0.463 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.629 -6.471 -1.907 1.00 0.00 C ATOM 0 H ILE A 9 -7.604 -4.628 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.710 -6.605 0.339 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.076 -3.775 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.535 -5.552 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.177 -4.450 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.765 -4.476 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.802 -4.609 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.357 -6.070 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.466 -6.765 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.678 -6.189 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.057 -7.308 -1.356 1.00 0.00 H new ATOM 76 N LYS A 10 -7.307 -5.826 2.219 1.00 0.00 N ATOM 77 CA LYS A 10 -7.806 -5.439 3.528 1.00 0.00 C ATOM 78 C LYS A 10 -7.064 -6.231 4.606 1.00 0.00 C ATOM 79 O LYS A 10 -7.043 -5.833 5.771 1.00 0.00 O ATOM 80 CB LYS A 10 -9.327 -5.595 3.588 1.00 0.00 C ATOM 81 CG LYS A 10 -10.028 -4.348 3.045 1.00 0.00 C ATOM 82 CD LYS A 10 -11.174 -3.920 3.964 1.00 0.00 C ATOM 83 CE LYS A 10 -10.897 -2.549 4.584 1.00 0.00 C ATOM 84 NZ LYS A 10 -11.827 -2.289 5.705 1.00 0.00 N ATOM 0 H LYS A 10 -7.641 -6.730 1.885 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.609 -4.383 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.630 -6.468 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.638 -5.772 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.309 -3.534 2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.414 -4.549 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.105 -3.886 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.308 -4.660 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.868 -2.506 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.005 -1.772 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.625 -1.354 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.806 -2.310 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.704 -3.020 6.434 1.00 0.00 H new ATOM 85 N LYS A 11 -6.472 -7.337 4.181 1.00 0.00 N ATOM 86 CA LYS A 11 -5.729 -8.188 5.096 1.00 0.00 C ATOM 87 C LYS A 11 -4.281 -7.702 5.177 1.00 0.00 C ATOM 88 O LYS A 11 -3.555 -7.738 4.186 1.00 0.00 O ATOM 89 CB LYS A 11 -5.864 -9.657 4.691 1.00 0.00 C ATOM 90 CG LYS A 11 -5.957 -10.560 5.922 1.00 0.00 C ATOM 91 CD LYS A 11 -6.184 -12.019 5.516 1.00 0.00 C ATOM 92 CE LYS A 11 -7.284 -12.658 6.366 1.00 0.00 C ATOM 93 NZ LYS A 11 -8.467 -12.970 5.534 1.00 0.00 N ATOM 0 H LYS A 11 -6.491 -7.664 3.215 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.144 -8.120 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.752 -9.787 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.007 -9.951 4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.040 -10.480 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.773 -10.226 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.458 -12.069 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.257 -12.581 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.909 -13.569 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.567 -11.982 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.204 -13.403 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.834 -12.094 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.196 -13.633 4.780 1.00 0.00 H new ATOM 94 N ASN A 12 -3.905 -7.258 6.367 1.00 0.00 N ATOM 95 CA ASN A 12 -2.557 -6.765 6.590 1.00 0.00 C ATOM 96 C ASN A 12 -1.558 -7.692 5.896 1.00 0.00 C ATOM 97 O ASN A 12 -0.620 -7.228 5.251 1.00 0.00 O ATOM 98 CB ASN A 12 -2.220 -6.739 8.083 1.00 0.00 C ATOM 99 CG ASN A 12 -1.710 -5.359 8.506 1.00 0.00 C ATOM 100 OD1 ASN A 12 -0.572 -4.990 8.266 1.00 0.00 O ATOM 101 ND2 ASN A 12 -2.612 -4.623 9.147 1.00 0.00 N ATOM 0 H ASN A 12 -4.511 -7.229 7.187 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.497 -5.753 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.105 -6.997 8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.464 -7.493 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.369 -3.687 9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.547 -4.994 9.314 1.00 0.00 H new ATOM 102 N ALA A 13 -1.794 -8.987 6.052 1.00 0.00 N ATOM 103 CA ALA A 13 -0.927 -9.984 5.447 1.00 0.00 C ATOM 104 C ALA A 13 -0.727 -9.650 3.968 1.00 0.00 C ATOM 105 O ALA A 13 0.389 -9.728 3.456 1.00 0.00 O ATOM 106 CB ALA A 13 -1.527 -11.377 5.655 1.00 0.00 C ATOM 0 H ALA A 13 -2.573 -9.368 6.589 1.00 0.00 H new ATOM 0 HA ALA A 13 0.054 -9.978 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.877 -12.125 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.621 -11.577 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.512 -11.422 5.190 1.00 0.00 H new ATOM 107 N ASP A 14 -1.825 -9.284 3.323 1.00 0.00 N ATOM 108 CA ASP A 14 -1.784 -8.938 1.912 1.00 0.00 C ATOM 109 C ASP A 14 -0.781 -7.802 1.699 1.00 0.00 C ATOM 110 O ASP A 14 -0.211 -7.666 0.618 1.00 0.00 O ATOM 111 CB ASP A 14 -3.151 -8.459 1.423 1.00 0.00 C ATOM 112 CG ASP A 14 -4.270 -9.498 1.514 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.976 -10.608 2.007 1.00 0.00 O ATOM 114 OD2 ASP A 14 -5.396 -9.158 1.088 1.00 0.00 O ATOM 0 H ASP A 14 -2.748 -9.219 3.751 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.493 -9.828 1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.441 -7.583 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.057 -8.138 0.386 1.00 0.00 H new ATOM 115 N PHE A 15 -0.595 -7.015 2.748 1.00 0.00 N ATOM 116 CA PHE A 15 0.328 -5.895 2.691 1.00 0.00 C ATOM 117 C PHE A 15 1.707 -6.293 3.223 1.00 0.00 C ATOM 118 O PHE A 15 2.729 -5.849 2.702 1.00 0.00 O ATOM 119 CB PHE A 15 -0.249 -4.792 3.579 1.00 0.00 C ATOM 120 CG PHE A 15 -0.963 -3.680 2.807 1.00 0.00 C ATOM 121 CD1 PHE A 15 -0.246 -2.821 2.033 1.00 0.00 C ATOM 122 CD2 PHE A 15 -2.314 -3.552 2.894 1.00 0.00 C ATOM 123 CE1 PHE A 15 -0.909 -1.790 1.317 1.00 0.00 C ATOM 124 CE2 PHE A 15 -2.977 -2.521 2.177 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.260 -1.662 1.404 1.00 0.00 C ATOM 0 H PHE A 15 -1.069 -7.131 3.644 1.00 0.00 H new ATOM 0 HA PHE A 15 0.447 -5.565 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.950 -5.238 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.558 -4.353 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.827 -2.923 1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.883 -4.234 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.340 -1.107 0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.050 -2.419 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.764 -0.878 0.859 1.00 0.00 H new ATOM 126 N GLN A 16 1.690 -7.126 4.253 1.00 0.00 N ATOM 127 CA GLN A 16 2.926 -7.589 4.861 1.00 0.00 C ATOM 128 C GLN A 16 3.640 -8.571 3.930 1.00 0.00 C ATOM 129 O GLN A 16 4.867 -8.558 3.831 1.00 0.00 O ATOM 130 CB GLN A 16 2.661 -8.223 6.227 1.00 0.00 C ATOM 131 CG GLN A 16 1.474 -7.552 6.922 1.00 0.00 C ATOM 132 CD GLN A 16 1.784 -7.279 8.396 1.00 0.00 C ATOM 133 OE1 GLN A 16 1.314 -7.960 9.292 1.00 0.00 O ATOM 134 NE2 GLN A 16 2.598 -6.247 8.594 1.00 0.00 N ATOM 0 H GLN A 16 0.840 -7.492 4.682 1.00 0.00 H new ATOM 0 HA GLN A 16 3.576 -6.728 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.461 -9.288 6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.550 -8.135 6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.234 -6.616 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.594 -8.190 6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.956 -5.719 7.798 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.865 -5.983 9.542 1.00 0.00 H new ATOM 135 N ARG A 17 2.844 -9.400 3.272 1.00 0.00 N ATOM 136 CA ARG A 17 3.384 -10.387 2.352 1.00 0.00 C ATOM 137 C ARG A 17 4.206 -9.700 1.260 1.00 0.00 C ATOM 138 O ARG A 17 5.068 -10.324 0.642 1.00 0.00 O ATOM 139 CB ARG A 17 2.266 -11.204 1.703 1.00 0.00 C ATOM 140 CG ARG A 17 2.839 -12.261 0.756 1.00 0.00 C ATOM 141 CD ARG A 17 1.959 -13.513 0.735 1.00 0.00 C ATOM 142 NE ARG A 17 2.761 -14.702 1.097 1.00 0.00 N ATOM 143 CZ ARG A 17 3.550 -15.366 0.241 1.00 0.00 C ATOM 0 H ARG A 17 1.828 -9.409 3.358 1.00 0.00 H new ATOM 0 HA ARG A 17 4.024 -11.059 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.669 -11.688 2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.598 -10.541 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.916 -11.849 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.848 -12.527 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.130 -13.397 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.524 -13.645 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 17 2.710 -15.038 2.059 1.00 0.00 H new ATOM 144 N ILE A 18 3.911 -8.425 1.055 1.00 0.00 N ATOM 145 CA ILE A 18 4.613 -7.647 0.048 1.00 0.00 C ATOM 146 C ILE A 18 5.879 -7.050 0.662 1.00 0.00 C ATOM 147 O ILE A 18 6.977 -7.240 0.139 1.00 0.00 O ATOM 148 CB ILE A 18 3.678 -6.604 -0.570 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.224 -7.077 -0.526 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.122 -6.244 -1.990 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.075 -8.456 -1.173 1.00 0.00 C ATOM 0 H ILE A 18 3.195 -7.911 1.569 1.00 0.00 H new ATOM 0 HA ILE A 18 4.930 -8.287 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 18 3.738 -5.694 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.883 -7.118 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.588 -6.358 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.442 -5.501 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.132 -5.836 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.109 -7.138 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.032 -8.768 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.394 -8.406 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.693 -9.177 -0.638 1.00 0.00 H new ATOM 152 N TYR A 19 5.687 -6.338 1.764 1.00 0.00 N ATOM 153 CA TYR A 19 6.801 -5.712 2.455 1.00 0.00 C ATOM 154 C TYR A 19 7.765 -6.764 3.006 1.00 0.00 C ATOM 155 O TYR A 19 8.878 -6.437 3.415 1.00 0.00 O ATOM 156 CB TYR A 19 6.190 -4.935 3.623 1.00 0.00 C ATOM 157 CG TYR A 19 5.739 -3.519 3.260 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.937 -3.311 2.156 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.134 -2.449 4.037 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.513 -1.978 1.815 1.00 0.00 C ATOM 161 CE2 TYR A 19 5.711 -1.116 3.695 1.00 0.00 C ATOM 162 CZ TYR A 19 4.921 -0.946 2.602 1.00 0.00 C ATOM 0 H TYR A 19 4.776 -6.181 2.195 1.00 0.00 H new ATOM 0 HA TYR A 19 7.363 -5.071 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.335 -5.490 4.008 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.921 -4.877 4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.628 -4.148 1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.760 -2.612 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.885 -1.801 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.015 -0.270 4.294 1.00 0.00 H new ATOM 163 N LYS A 20 7.303 -8.006 3.001 1.00 0.00 N ATOM 164 CA LYS A 20 8.110 -9.108 3.495 1.00 0.00 C ATOM 165 C LYS A 20 9.401 -9.195 2.678 1.00 0.00 C ATOM 166 O LYS A 20 10.440 -8.688 3.097 1.00 0.00 O ATOM 167 CB LYS A 20 7.299 -10.404 3.505 1.00 0.00 C ATOM 168 CG LYS A 20 8.081 -11.536 4.175 1.00 0.00 C ATOM 169 CD LYS A 20 7.961 -11.457 5.698 1.00 0.00 C ATOM 170 CE LYS A 20 9.333 -11.586 6.364 1.00 0.00 C ATOM 171 NZ LYS A 20 9.282 -11.091 7.758 1.00 0.00 N ATOM 0 H LYS A 20 6.379 -8.273 2.662 1.00 0.00 H new ATOM 0 HA LYS A 20 8.400 -8.934 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.359 -10.245 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.047 -10.687 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.706 -12.498 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.130 -11.479 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.503 -10.509 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.303 -12.249 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.652 -12.628 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.073 -11.020 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.221 -11.186 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.998 -10.090 7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.591 -11.648 8.299 1.00 0.00 H new ATOM 172 N LYS A 21 9.292 -9.843 1.528 1.00 0.00 N ATOM 173 CA LYS A 21 10.437 -10.003 0.648 1.00 0.00 C ATOM 174 C LYS A 21 10.070 -9.516 -0.755 1.00 0.00 C ATOM 175 O LYS A 21 10.799 -9.768 -1.714 1.00 0.00 O ATOM 176 CB LYS A 21 10.943 -11.448 0.685 1.00 0.00 C ATOM 177 CG LYS A 21 12.250 -11.551 1.472 1.00 0.00 C ATOM 178 CD LYS A 21 12.255 -12.792 2.367 1.00 0.00 C ATOM 179 CE LYS A 21 13.140 -13.891 1.776 1.00 0.00 C ATOM 180 NZ LYS A 21 13.507 -14.877 2.818 1.00 0.00 N ATOM 0 H LYS A 21 8.428 -10.264 1.185 1.00 0.00 H new ATOM 0 HA LYS A 21 11.269 -9.388 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.189 -12.090 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.097 -11.809 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.092 -11.593 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.383 -10.658 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.614 -12.526 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.237 -13.164 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.615 -14.391 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.041 -13.451 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.108 -15.616 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.027 -14.398 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.644 -15.310 3.205 1.00 0.00 H new ATOM 181 N GLY A 22 8.941 -8.828 -0.830 1.00 0.00 N ATOM 182 CA GLY A 22 8.468 -8.302 -2.101 1.00 0.00 C ATOM 183 C GLY A 22 9.504 -7.365 -2.726 1.00 0.00 C ATOM 184 O GLY A 22 10.519 -7.054 -2.105 1.00 0.00 O ATOM 0 H GLY A 22 8.339 -8.622 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.258 -9.125 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.531 -7.766 -1.951 1.00 0.00 H new ATOM 185 N HIS A 23 9.211 -6.943 -3.946 1.00 0.00 N ATOM 186 CA HIS A 23 10.103 -6.047 -4.663 1.00 0.00 C ATOM 187 C HIS A 23 9.387 -4.725 -4.943 1.00 0.00 C ATOM 188 O HIS A 23 8.500 -4.663 -5.793 1.00 0.00 O ATOM 189 CB HIS A 23 10.637 -6.714 -5.932 1.00 0.00 C ATOM 190 CG HIS A 23 11.403 -5.781 -6.840 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.785 -5.753 -6.892 1.00 0.00 N ATOM 192 CD2 HIS A 23 10.965 -4.844 -7.731 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.153 -4.837 -7.776 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.023 -4.274 -8.294 1.00 0.00 N ATOM 0 H HIS A 23 8.368 -7.205 -4.457 1.00 0.00 H new ATOM 0 HA HIS A 23 10.973 -5.824 -4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.286 -7.543 -5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.800 -7.139 -6.487 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.414 -6.338 -6.343 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.933 -4.607 -7.942 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.168 -4.581 -8.040 1.00 0.00 H new ATOM 195 N SER A 24 9.800 -3.699 -4.212 1.00 0.00 N ATOM 196 CA SER A 24 9.208 -2.382 -4.372 1.00 0.00 C ATOM 197 C SER A 24 10.044 -1.547 -5.345 1.00 0.00 C ATOM 198 O SER A 24 11.272 -1.594 -5.313 1.00 0.00 O ATOM 199 CB SER A 24 9.089 -1.664 -3.026 1.00 0.00 C ATOM 200 OG SER A 24 10.352 -1.526 -2.380 1.00 0.00 O ATOM 0 H SER A 24 10.537 -3.754 -3.508 1.00 0.00 H new ATOM 0 HA SER A 24 8.204 -2.506 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.651 -0.678 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.409 -2.218 -2.379 1.00 0.00 H new ATOM 0 HG SER A 24 10.234 -1.059 -1.526 1.00 0.00 H new ATOM 201 N VAL A 25 9.344 -0.804 -6.189 1.00 0.00 N ATOM 202 CA VAL A 25 10.006 0.040 -7.170 1.00 0.00 C ATOM 203 C VAL A 25 9.416 1.450 -7.105 1.00 0.00 C ATOM 204 O VAL A 25 8.200 1.623 -7.172 1.00 0.00 O ATOM 205 CB VAL A 25 9.896 -0.591 -8.561 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.571 -1.963 -8.596 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.435 -0.686 -9.005 1.00 0.00 C ATOM 0 H VAL A 25 8.325 -0.769 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 25 11.070 0.123 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 25 10.419 0.056 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.478 -2.389 -9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.626 -1.856 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.090 -2.623 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.384 -1.138 -9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.879 -1.301 -8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.999 0.313 -9.039 1.00 0.00 H new ATOM 208 N ALA A 26 10.306 2.423 -6.975 1.00 0.00 N ATOM 209 CA ALA A 26 9.890 3.813 -6.900 1.00 0.00 C ATOM 210 C ALA A 26 10.558 4.603 -8.026 1.00 0.00 C ATOM 211 O ALA A 26 11.763 4.485 -8.242 1.00 0.00 O ATOM 212 CB ALA A 26 10.227 4.372 -5.515 1.00 0.00 C ATOM 0 H ALA A 26 11.314 2.276 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 26 8.812 3.899 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.915 5.415 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.704 3.795 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.302 4.305 -5.347 1.00 0.00 H new ATOM 213 N ASN A 27 9.746 5.391 -8.715 1.00 0.00 N ATOM 214 CA ASN A 27 10.244 6.201 -9.814 1.00 0.00 C ATOM 215 C ASN A 27 10.788 7.521 -9.265 1.00 0.00 C ATOM 216 O ASN A 27 11.993 7.667 -9.073 1.00 0.00 O ATOM 217 CB ASN A 27 9.126 6.527 -10.808 1.00 0.00 C ATOM 218 CG ASN A 27 7.834 6.899 -10.077 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.494 6.346 -9.044 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.136 7.863 -10.670 1.00 0.00 N ATOM 0 H ASN A 27 8.747 5.486 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 27 11.026 5.636 -10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.435 7.351 -11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.948 5.668 -11.455 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.258 8.182 -10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.479 8.283 -11.534 1.00 0.00 H new ATOM 221 N ARG A 28 9.871 8.448 -9.028 1.00 0.00 N ATOM 222 CA ARG A 28 10.245 9.752 -8.504 1.00 0.00 C ATOM 223 C ARG A 28 9.513 10.025 -7.188 1.00 0.00 C ATOM 224 O ARG A 28 10.141 10.332 -6.177 1.00 0.00 O ATOM 225 CB ARG A 28 9.913 10.862 -9.503 1.00 0.00 C ATOM 226 CG ARG A 28 10.926 10.888 -10.650 1.00 0.00 C ATOM 227 CD ARG A 28 12.028 11.917 -10.386 1.00 0.00 C ATOM 228 NE ARG A 28 12.041 12.931 -11.463 1.00 0.00 N ATOM 229 CZ ARG A 28 12.912 13.948 -11.526 1.00 0.00 C ATOM 0 H ARG A 28 8.872 8.323 -9.189 1.00 0.00 H new ATOM 0 HA ARG A 28 11.321 9.744 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.910 10.709 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.910 11.826 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.368 9.899 -10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.417 11.126 -11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.863 12.400 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.996 11.419 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 28 11.344 12.851 -12.204 1.00 0.00 H new ATOM 230 N GLN A 29 8.195 9.901 -7.245 1.00 0.00 N ATOM 231 CA GLN A 29 7.371 10.130 -6.070 1.00 0.00 C ATOM 232 C GLN A 29 6.410 8.958 -5.858 1.00 0.00 C ATOM 233 O GLN A 29 5.659 8.935 -4.885 1.00 0.00 O ATOM 234 CB GLN A 29 6.607 11.451 -6.185 1.00 0.00 C ATOM 235 CG GLN A 29 5.512 11.361 -7.251 1.00 0.00 C ATOM 236 CD GLN A 29 5.923 12.104 -8.523 1.00 0.00 C ATOM 237 OE1 GLN A 29 6.510 13.174 -8.486 1.00 0.00 O ATOM 238 NE2 GLN A 29 5.582 11.482 -9.647 1.00 0.00 N ATOM 0 H GLN A 29 7.678 9.645 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 29 8.025 10.200 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.162 11.703 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.299 12.255 -6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.312 10.315 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.585 11.783 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.092 10.588 -9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.811 11.898 -10.550 1.00 0.00 H new ATOM 239 N PHE A 30 6.467 8.013 -6.786 1.00 0.00 N ATOM 240 CA PHE A 30 5.611 6.841 -6.714 1.00 0.00 C ATOM 241 C PHE A 30 6.407 5.608 -6.281 1.00 0.00 C ATOM 242 O PHE A 30 7.580 5.469 -6.624 1.00 0.00 O ATOM 243 CB PHE A 30 5.053 6.607 -8.118 1.00 0.00 C ATOM 244 CG PHE A 30 3.527 6.505 -8.172 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.770 7.634 -8.198 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.928 5.284 -8.195 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.354 7.539 -8.249 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.512 5.189 -8.245 1.00 0.00 C ATOM 249 CZ PHE A 30 0.755 6.319 -8.271 1.00 0.00 C ATOM 0 H PHE A 30 7.093 8.035 -7.591 1.00 0.00 H new ATOM 0 HA PHE A 30 4.818 7.003 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.376 7.421 -8.767 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.483 5.690 -8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.246 8.603 -8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.529 4.387 -8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.753 8.436 -8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.036 4.220 -8.262 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.322 6.247 -8.309 1.00 0.00 H new ATOM 250 N VAL A 31 5.736 4.743 -5.535 1.00 0.00 N ATOM 251 CA VAL A 31 6.366 3.526 -5.052 1.00 0.00 C ATOM 252 C VAL A 31 5.371 2.368 -5.153 1.00 0.00 C ATOM 253 O VAL A 31 4.442 2.270 -4.352 1.00 0.00 O ATOM 254 CB VAL A 31 6.895 3.737 -3.631 1.00 0.00 C ATOM 255 CG1 VAL A 31 6.090 4.815 -2.902 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.893 2.425 -2.845 1.00 0.00 C ATOM 0 H VAL A 31 4.763 4.861 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 31 7.227 3.271 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 31 7.927 4.081 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.486 4.946 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.165 5.756 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.045 4.512 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.273 2.603 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.876 2.038 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.529 1.697 -3.350 1.00 0.00 H new ATOM 257 N VAL A 32 5.600 1.518 -6.144 1.00 0.00 N ATOM 258 CA VAL A 32 4.735 0.370 -6.360 1.00 0.00 C ATOM 259 C VAL A 32 5.422 -0.888 -5.825 1.00 0.00 C ATOM 260 O VAL A 32 6.594 -1.127 -6.107 1.00 0.00 O ATOM 261 CB VAL A 32 4.366 0.266 -7.841 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.688 1.547 -8.330 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.594 -0.062 -8.691 1.00 0.00 C ATOM 0 H VAL A 32 6.372 1.601 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 32 3.800 0.487 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 32 3.654 -0.552 -7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.437 1.445 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.778 1.719 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.366 2.391 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.303 -0.130 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.340 0.724 -8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.016 -1.014 -8.369 1.00 0.00 H new ATOM 264 N TYR A 33 4.661 -1.659 -5.062 1.00 0.00 N ATOM 265 CA TYR A 33 5.181 -2.886 -4.484 1.00 0.00 C ATOM 266 C TYR A 33 4.637 -4.112 -5.219 1.00 0.00 C ATOM 267 O TYR A 33 3.523 -4.084 -5.739 1.00 0.00 O ATOM 268 CB TYR A 33 4.687 -2.914 -3.036 1.00 0.00 C ATOM 269 CG TYR A 33 5.664 -2.295 -2.034 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.242 -1.069 -2.300 1.00 0.00 C ATOM 271 CD2 TYR A 33 5.967 -2.960 -0.864 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.160 -0.486 -1.356 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.885 -2.377 0.079 1.00 0.00 C ATOM 274 CZ TYR A 33 7.437 -1.169 -0.213 1.00 0.00 C ATOM 0 H TYR A 33 3.688 -1.457 -4.831 1.00 0.00 H new ATOM 0 HA TYR A 33 6.268 -2.912 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.737 -2.384 -2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.494 -3.947 -2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.005 -0.548 -3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.515 -3.919 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.618 0.472 -1.551 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.130 -2.888 0.998 1.00 0.00 H new ATOM 275 N THR A 34 5.447 -5.159 -5.239 1.00 0.00 N ATOM 276 CA THR A 34 5.061 -6.394 -5.902 1.00 0.00 C ATOM 277 C THR A 34 5.709 -7.595 -5.213 1.00 0.00 C ATOM 278 O THR A 34 6.661 -7.438 -4.449 1.00 0.00 O ATOM 279 CB THR A 34 5.427 -6.270 -7.382 1.00 0.00 C ATOM 280 OG1 THR A 34 6.817 -6.589 -7.423 1.00 0.00 O ATOM 281 CG2 THR A 34 5.362 -4.826 -7.883 1.00 0.00 C ATOM 0 H THR A 34 6.371 -5.179 -4.806 1.00 0.00 H new ATOM 0 HA THR A 34 3.986 -6.562 -5.832 1.00 0.00 H new ATOM 0 HB THR A 34 4.755 -6.890 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.317 -5.941 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.631 -4.795 -8.939 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.350 -4.442 -7.755 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.059 -4.211 -7.313 1.00 0.00 H new ATOM 282 N CYS A 35 5.170 -8.769 -5.508 1.00 0.00 N ATOM 283 CA CYS A 35 5.685 -9.997 -4.926 1.00 0.00 C ATOM 284 C CYS A 35 4.889 -11.170 -5.500 1.00 0.00 C ATOM 285 O CYS A 35 3.737 -11.007 -5.902 1.00 0.00 O ATOM 286 CB CYS A 35 5.631 -9.965 -3.397 1.00 0.00 C ATOM 287 SG CYS A 35 6.154 -11.581 -2.719 1.00 0.00 S ATOM 0 H CYS A 35 4.382 -8.896 -6.143 1.00 0.00 H new ATOM 0 HA CYS A 35 6.738 -10.111 -5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.280 -9.175 -3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.619 -9.732 -3.065 1.00 0.00 H new ATOM 0 HG CYS A 35 6.107 -11.543 -1.420 1.00 0.00 H new ATOM 338 N HIS A 42 -4.978 -12.915 -8.671 1.00 0.00 N ATOM 339 CA HIS A 42 -5.154 -11.835 -9.628 1.00 0.00 C ATOM 340 C HIS A 42 -4.507 -10.559 -9.085 1.00 0.00 C ATOM 341 O HIS A 42 -4.428 -10.366 -7.873 1.00 0.00 O ATOM 342 CB HIS A 42 -6.633 -11.650 -9.973 1.00 0.00 C ATOM 343 CG HIS A 42 -6.935 -11.742 -11.450 1.00 0.00 C ATOM 344 ND1 HIS A 42 -8.222 -11.687 -11.956 1.00 0.00 N ATOM 345 CD2 HIS A 42 -6.105 -11.884 -12.522 1.00 0.00 C ATOM 346 CE1 HIS A 42 -8.157 -11.793 -13.275 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.844 -11.916 -13.624 1.00 0.00 N ATOM 0 HA HIS A 42 -4.652 -12.086 -10.562 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -7.216 -12.405 -9.446 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.963 -10.678 -9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.028 -11.958 -12.481 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.996 -11.784 -13.955 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.489 -12.016 -14.575 1.00 0.00 H new ATOM 348 N PHE A 43 -4.062 -9.721 -10.010 1.00 0.00 N ATOM 349 CA PHE A 43 -3.425 -8.468 -9.639 1.00 0.00 C ATOM 350 C PHE A 43 -4.238 -7.735 -8.571 1.00 0.00 C ATOM 351 O PHE A 43 -5.070 -6.887 -8.892 1.00 0.00 O ATOM 352 CB PHE A 43 -3.368 -7.606 -10.902 1.00 0.00 C ATOM 353 CG PHE A 43 -4.729 -7.377 -11.562 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.240 -8.313 -12.407 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.428 -6.240 -11.303 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.504 -8.101 -13.019 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.691 -6.027 -11.917 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.202 -6.963 -12.761 1.00 0.00 C ATOM 0 H PHE A 43 -4.130 -9.885 -11.015 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.432 -8.660 -9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.931 -6.640 -10.650 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.701 -8.080 -11.623 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.685 -9.216 -12.612 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.023 -5.499 -10.630 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.911 -8.844 -13.689 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.245 -5.122 -11.714 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.163 -6.802 -13.227 1.00 0.00 H new ATOM 359 N ARG A 44 -3.968 -8.087 -7.323 1.00 0.00 N ATOM 360 CA ARG A 44 -4.664 -7.473 -6.204 1.00 0.00 C ATOM 361 C ARG A 44 -4.124 -6.064 -5.952 1.00 0.00 C ATOM 362 O ARG A 44 -3.165 -5.887 -5.202 1.00 0.00 O ATOM 363 CB ARG A 44 -4.506 -8.307 -4.932 1.00 0.00 C ATOM 364 CG ARG A 44 -3.065 -8.797 -4.773 1.00 0.00 C ATOM 365 CD ARG A 44 -2.767 -9.159 -3.316 1.00 0.00 C ATOM 366 NE ARG A 44 -2.720 -10.630 -3.160 1.00 0.00 N ATOM 367 CZ ARG A 44 -2.956 -11.271 -2.007 1.00 0.00 C ATOM 0 H ARG A 44 -3.277 -8.790 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.722 -7.420 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.789 -7.711 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.183 -9.161 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.901 -9.667 -5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.375 -8.023 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.816 -8.722 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.534 -8.740 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.494 -11.191 -3.981 1.00 0.00 H new ATOM 368 N LEU A 45 -4.761 -5.096 -6.595 1.00 0.00 N ATOM 369 CA LEU A 45 -4.356 -3.708 -6.450 1.00 0.00 C ATOM 370 C LEU A 45 -4.885 -3.163 -5.121 1.00 0.00 C ATOM 371 O LEU A 45 -6.021 -3.438 -4.742 1.00 0.00 O ATOM 372 CB LEU A 45 -4.795 -2.892 -7.667 1.00 0.00 C ATOM 373 CG LEU A 45 -3.671 -2.331 -8.540 1.00 0.00 C ATOM 374 CD1 LEU A 45 -4.227 -1.404 -9.623 1.00 0.00 C ATOM 375 CD2 LEU A 45 -2.606 -1.641 -7.686 1.00 0.00 C ATOM 0 H LEU A 45 -5.555 -5.246 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.269 -3.630 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.433 -3.520 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.408 -2.060 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.186 -3.164 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.407 -1.019 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.918 -1.959 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.753 -0.572 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.819 -1.251 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.060 -0.820 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.179 -2.359 -6.986 1.00 0.00 H new ATOM 376 N GLY A 46 -4.033 -2.400 -4.450 1.00 0.00 N ATOM 377 CA GLY A 46 -4.401 -1.815 -3.173 1.00 0.00 C ATOM 378 C GLY A 46 -4.366 -0.287 -3.240 1.00 0.00 C ATOM 379 O GLY A 46 -4.752 0.304 -4.248 1.00 0.00 O ATOM 0 H GLY A 46 -3.090 -2.174 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.400 -2.147 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.718 -2.164 -2.399 1.00 0.00 H new ATOM 380 N ILE A 47 -3.899 0.312 -2.153 1.00 0.00 N ATOM 381 CA ILE A 47 -3.809 1.759 -2.076 1.00 0.00 C ATOM 382 C ILE A 47 -2.968 2.149 -0.859 1.00 0.00 C ATOM 383 O ILE A 47 -3.293 1.781 0.269 1.00 0.00 O ATOM 384 CB ILE A 47 -5.206 2.384 -2.083 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.675 2.661 -3.514 1.00 0.00 C ATOM 386 CG2 ILE A 47 -5.248 3.642 -1.213 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.858 1.764 -3.885 1.00 0.00 C ATOM 0 H ILE A 47 -3.579 -0.180 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.302 2.156 -2.956 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.903 1.668 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.963 3.708 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.853 2.492 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.252 4.066 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.986 3.384 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.536 4.373 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.172 1.980 -4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.559 0.718 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.686 1.954 -3.202 1.00 0.00 H new ATOM 388 N SER A 48 -1.902 2.889 -1.129 1.00 0.00 N ATOM 389 CA SER A 48 -1.011 3.333 -0.070 1.00 0.00 C ATOM 390 C SER A 48 -0.552 4.767 -0.340 1.00 0.00 C ATOM 391 O SER A 48 -0.237 5.118 -1.476 1.00 0.00 O ATOM 392 CB SER A 48 0.197 2.404 0.059 1.00 0.00 C ATOM 393 OG SER A 48 -0.189 1.067 0.366 1.00 0.00 O ATOM 0 H SER A 48 -1.635 3.192 -2.066 1.00 0.00 H new ATOM 0 HA SER A 48 -1.558 3.305 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.763 2.413 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.861 2.778 0.839 1.00 0.00 H new ATOM 0 HG SER A 48 0.063 0.858 1.290 1.00 0.00 H new ATOM 394 N VAL A 49 -0.527 5.557 0.723 1.00 0.00 N ATOM 395 CA VAL A 49 -0.111 6.945 0.616 1.00 0.00 C ATOM 396 C VAL A 49 0.471 7.405 1.954 1.00 0.00 C ATOM 397 O VAL A 49 0.346 6.708 2.960 1.00 0.00 O ATOM 398 CB VAL A 49 -1.284 7.808 0.146 1.00 0.00 C ATOM 399 CG1 VAL A 49 -0.952 9.297 0.268 1.00 0.00 C ATOM 400 CG2 VAL A 49 -1.688 7.452 -1.286 1.00 0.00 C ATOM 0 H VAL A 49 -0.788 5.262 1.664 1.00 0.00 H new ATOM 0 HA VAL A 49 0.674 7.051 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.134 7.600 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.802 9.888 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.736 9.538 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.081 9.527 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.524 8.080 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.843 7.618 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.986 6.404 -1.330 1.00 0.00 H new ATOM 401 N SER A 50 1.095 8.573 1.922 1.00 0.00 N ATOM 402 CA SER A 50 1.696 9.132 3.120 1.00 0.00 C ATOM 403 C SER A 50 0.680 10.008 3.856 1.00 0.00 C ATOM 404 O SER A 50 -0.311 10.441 3.270 1.00 0.00 O ATOM 405 CB SER A 50 2.948 9.945 2.781 1.00 0.00 C ATOM 406 OG SER A 50 3.458 10.639 3.916 1.00 0.00 O ATOM 0 H SER A 50 1.197 9.147 1.085 1.00 0.00 H new ATOM 0 HA SER A 50 1.994 8.308 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.717 9.280 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.713 10.661 1.994 1.00 0.00 H new ATOM 0 HG SER A 50 4.257 11.144 3.659 1.00 0.00 H new ATOM 407 N LYS A 51 0.960 10.241 5.129 1.00 0.00 N ATOM 408 CA LYS A 51 0.082 11.057 5.952 1.00 0.00 C ATOM 409 C LYS A 51 0.674 12.462 6.084 1.00 0.00 C ATOM 410 O LYS A 51 0.035 13.360 6.629 1.00 0.00 O ATOM 411 CB LYS A 51 -0.183 10.373 7.295 1.00 0.00 C ATOM 412 CG LYS A 51 1.026 10.503 8.225 1.00 0.00 C ATOM 413 CD LYS A 51 1.525 9.128 8.669 1.00 0.00 C ATOM 414 CE LYS A 51 2.781 8.724 7.896 1.00 0.00 C ATOM 415 NZ LYS A 51 3.750 8.054 8.792 1.00 0.00 N ATOM 0 H LYS A 51 1.783 9.879 5.612 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.893 11.164 5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.059 10.818 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.409 9.319 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.827 11.037 7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.755 11.095 9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.741 9.143 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.743 8.385 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.512 8.056 7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.240 9.606 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.596 7.787 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.020 8.703 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.315 7.201 9.198 1.00 0.00 H new ATOM 416 N LYS A 52 1.889 12.608 5.575 1.00 0.00 N ATOM 417 CA LYS A 52 2.574 13.888 5.629 1.00 0.00 C ATOM 418 C LYS A 52 2.311 14.658 4.333 1.00 0.00 C ATOM 419 O LYS A 52 2.570 15.858 4.255 1.00 0.00 O ATOM 420 CB LYS A 52 4.059 13.689 5.936 1.00 0.00 C ATOM 421 CG LYS A 52 4.502 14.573 7.102 1.00 0.00 C ATOM 422 CD LYS A 52 4.750 13.739 8.361 1.00 0.00 C ATOM 423 CE LYS A 52 3.888 14.233 9.524 1.00 0.00 C ATOM 424 NZ LYS A 52 4.473 13.812 10.817 1.00 0.00 N ATOM 0 H LYS A 52 2.416 11.861 5.123 1.00 0.00 H new ATOM 0 HA LYS A 52 2.183 14.495 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.247 12.643 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.651 13.924 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.412 15.108 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.738 15.324 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.527 12.692 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.803 13.793 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.809 15.320 9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.877 13.837 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.876 14.155 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.526 12.774 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.429 14.211 10.912 1.00 0.00 H new ATOM 425 N LEU A 53 1.802 13.935 3.345 1.00 0.00 N ATOM 426 CA LEU A 53 1.502 14.534 2.056 1.00 0.00 C ATOM 427 C LEU A 53 0.765 15.857 2.273 1.00 0.00 C ATOM 428 O LEU A 53 1.371 16.926 2.217 1.00 0.00 O ATOM 429 CB LEU A 53 0.743 13.545 1.170 1.00 0.00 C ATOM 430 CG LEU A 53 1.392 13.214 -0.175 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.611 11.707 -0.323 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.579 13.792 -1.334 1.00 0.00 C ATOM 0 H LEU A 53 1.590 12.940 3.412 1.00 0.00 H new ATOM 0 HA LEU A 53 2.422 14.766 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.612 12.617 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.253 13.947 0.981 1.00 0.00 H new ATOM 0 HG LEU A 53 2.374 13.686 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.074 11.500 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.264 11.354 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.652 11.192 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.063 13.542 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.426 13.371 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.520 14.876 -1.232 1.00 0.00 H new ATOM 433 N GLY A 54 -0.532 15.742 2.517 1.00 0.00 N ATOM 434 CA GLY A 54 -1.358 16.915 2.742 1.00 0.00 C ATOM 435 C GLY A 54 -2.741 16.520 3.266 1.00 0.00 C ATOM 436 O GLY A 54 -2.862 15.991 4.370 1.00 0.00 O ATOM 0 H GLY A 54 -1.031 14.854 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.869 17.576 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.463 17.474 1.812 1.00 0.00 H new ATOM 437 N ASN A 55 -3.748 16.793 2.450 1.00 0.00 N ATOM 438 CA ASN A 55 -5.117 16.472 2.817 1.00 0.00 C ATOM 439 C ASN A 55 -5.495 15.114 2.225 1.00 0.00 C ATOM 440 O ASN A 55 -4.683 14.477 1.556 1.00 0.00 O ATOM 441 CB ASN A 55 -6.093 17.516 2.270 1.00 0.00 C ATOM 442 CG ASN A 55 -6.982 18.072 3.383 1.00 0.00 C ATOM 443 OD1 ASN A 55 -6.556 18.848 4.224 1.00 0.00 O ATOM 444 ND2 ASN A 55 -8.238 17.636 3.342 1.00 0.00 N ATOM 0 H ASN A 55 -3.644 17.233 1.536 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.179 16.456 3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.537 18.329 1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.713 17.068 1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.910 17.951 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.529 16.987 2.611 1.00 0.00 H new ATOM 445 N ALA A 56 -6.729 14.710 2.491 1.00 0.00 N ATOM 446 CA ALA A 56 -7.224 13.438 1.992 1.00 0.00 C ATOM 447 C ALA A 56 -7.346 13.507 0.468 1.00 0.00 C ATOM 448 O ALA A 56 -7.340 12.477 -0.204 1.00 0.00 O ATOM 449 CB ALA A 56 -8.557 13.109 2.668 1.00 0.00 C ATOM 0 H ALA A 56 -7.400 15.241 3.046 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.528 12.634 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.929 12.155 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.412 13.044 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.281 13.893 2.446 1.00 0.00 H new ATOM 450 N VAL A 57 -7.452 14.729 -0.031 1.00 0.00 N ATOM 451 CA VAL A 57 -7.575 14.944 -1.463 1.00 0.00 C ATOM 452 C VAL A 57 -6.255 14.574 -2.144 1.00 0.00 C ATOM 453 O VAL A 57 -6.244 14.167 -3.305 1.00 0.00 O ATOM 454 CB VAL A 57 -8.007 16.385 -1.741 1.00 0.00 C ATOM 455 CG1 VAL A 57 -6.818 17.343 -1.648 1.00 0.00 C ATOM 456 CG2 VAL A 57 -8.698 16.498 -3.102 1.00 0.00 C ATOM 0 H VAL A 57 -7.455 15.581 0.530 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.349 14.301 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.727 16.672 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.154 18.360 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.389 17.294 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.063 17.058 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.995 17.532 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.010 16.182 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.582 15.860 -3.116 1.00 0.00 H new ATOM 457 N LEU A 58 -5.174 14.731 -1.394 1.00 0.00 N ATOM 458 CA LEU A 58 -3.852 14.419 -1.910 1.00 0.00 C ATOM 459 C LEU A 58 -3.709 12.902 -2.052 1.00 0.00 C ATOM 460 O LEU A 58 -3.253 12.412 -3.084 1.00 0.00 O ATOM 461 CB LEU A 58 -2.772 15.060 -1.038 1.00 0.00 C ATOM 462 CG LEU A 58 -2.525 16.553 -1.265 1.00 0.00 C ATOM 463 CD1 LEU A 58 -1.239 17.008 -0.570 1.00 0.00 C ATOM 464 CD2 LEU A 58 -2.518 16.887 -2.758 1.00 0.00 C ATOM 0 H LEU A 58 -5.187 15.070 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.721 14.846 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.042 14.912 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.835 14.528 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.348 17.108 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.087 18.073 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.321 16.826 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.392 16.449 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.341 17.954 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.728 16.323 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.481 16.622 -3.195 1.00 0.00 H new ATOM 465 N ARG A 59 -4.108 12.202 -1.000 1.00 0.00 N ATOM 466 CA ARG A 59 -4.030 10.751 -0.993 1.00 0.00 C ATOM 467 C ARG A 59 -5.199 10.153 -1.779 1.00 0.00 C ATOM 468 O ARG A 59 -5.317 8.935 -1.894 1.00 0.00 O ATOM 469 CB ARG A 59 -4.052 10.204 0.434 1.00 0.00 C ATOM 470 CG ARG A 59 -5.361 10.567 1.141 1.00 0.00 C ATOM 471 CD ARG A 59 -6.390 9.443 0.998 1.00 0.00 C ATOM 472 NE ARG A 59 -5.974 8.270 1.799 1.00 0.00 N ATOM 473 CZ ARG A 59 -6.598 7.085 1.776 1.00 0.00 C ATOM 0 H ARG A 59 -4.486 12.613 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.088 10.468 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.934 9.121 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.208 10.606 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.168 10.756 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.763 11.489 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.369 9.791 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.489 9.161 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.161 8.370 2.407 1.00 0.00 H new ATOM 474 N ASN A 60 -6.036 11.040 -2.300 1.00 0.00 N ATOM 475 CA ASN A 60 -7.192 10.615 -3.071 1.00 0.00 C ATOM 476 C ASN A 60 -6.883 10.753 -4.562 1.00 0.00 C ATOM 477 O ASN A 60 -7.394 9.988 -5.380 1.00 0.00 O ATOM 478 CB ASN A 60 -8.412 11.483 -2.758 1.00 0.00 C ATOM 479 CG ASN A 60 -9.461 10.694 -1.974 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.839 9.590 -2.330 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.910 11.319 -0.889 1.00 0.00 N ATOM 0 H ASN A 60 -5.936 12.050 -2.203 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.410 9.580 -2.809 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.103 12.356 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.848 11.851 -3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.613 10.874 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.551 12.243 -0.647 1.00 0.00 H new ATOM 482 N LYS A 61 -6.048 11.733 -4.874 1.00 0.00 N ATOM 483 CA LYS A 61 -5.665 11.981 -6.253 1.00 0.00 C ATOM 484 C LYS A 61 -4.459 11.110 -6.608 1.00 0.00 C ATOM 485 O LYS A 61 -4.150 10.919 -7.783 1.00 0.00 O ATOM 486 CB LYS A 61 -5.433 13.476 -6.484 1.00 0.00 C ATOM 487 CG LYS A 61 -5.950 13.905 -7.859 1.00 0.00 C ATOM 488 CD LYS A 61 -7.007 15.005 -7.728 1.00 0.00 C ATOM 489 CE LYS A 61 -6.802 16.090 -8.786 1.00 0.00 C ATOM 490 NZ LYS A 61 -8.106 16.596 -9.270 1.00 0.00 N ATOM 0 H LYS A 61 -5.626 12.365 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.472 11.699 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.937 14.050 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.369 13.699 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.120 14.264 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.377 13.045 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.002 14.573 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.955 15.448 -6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.220 16.910 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.229 15.688 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.948 17.332 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.648 15.814 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.640 16.998 -8.473 1.00 0.00 H new ATOM 491 N ILE A 62 -3.809 10.605 -5.569 1.00 0.00 N ATOM 492 CA ILE A 62 -2.643 9.757 -5.757 1.00 0.00 C ATOM 493 C ILE A 62 -3.094 8.303 -5.905 1.00 0.00 C ATOM 494 O ILE A 62 -2.471 7.527 -6.629 1.00 0.00 O ATOM 495 CB ILE A 62 -1.635 9.976 -4.626 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.962 11.344 -4.750 1.00 0.00 C ATOM 497 CG2 ILE A 62 -0.615 8.837 -4.574 1.00 0.00 C ATOM 498 CD1 ILE A 62 0.131 11.516 -3.692 1.00 0.00 C ATOM 0 H ILE A 62 -4.067 10.766 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.121 10.024 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.175 9.968 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.530 11.452 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.708 12.131 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.090 9.017 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.132 7.893 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.075 8.789 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.593 12.497 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.308 11.432 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.887 10.742 -3.821 1.00 0.00 H new ATOM 499 N LYS A 63 -4.173 7.977 -5.209 1.00 0.00 N ATOM 500 CA LYS A 63 -4.715 6.629 -5.256 1.00 0.00 C ATOM 501 C LYS A 63 -5.795 6.554 -6.336 1.00 0.00 C ATOM 502 O LYS A 63 -6.182 5.467 -6.758 1.00 0.00 O ATOM 503 CB LYS A 63 -5.200 6.199 -3.869 1.00 0.00 C ATOM 504 CG LYS A 63 -6.712 5.965 -3.867 1.00 0.00 C ATOM 505 CD LYS A 63 -7.472 7.289 -3.969 1.00 0.00 C ATOM 506 CE LYS A 63 -8.743 7.127 -4.805 1.00 0.00 C ATOM 507 NZ LYS A 63 -9.816 6.499 -4.001 1.00 0.00 N ATOM 0 H LYS A 63 -4.687 8.623 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.939 5.916 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.686 5.286 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.946 6.965 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.985 5.320 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.002 5.445 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.731 7.642 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.831 8.047 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.074 8.101 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.533 6.516 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.671 6.396 -4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.503 5.562 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.028 7.097 -3.177 1.00 0.00 H new ATOM 508 N ARG A 64 -6.253 7.726 -6.752 1.00 0.00 N ATOM 509 CA ARG A 64 -7.282 7.808 -7.775 1.00 0.00 C ATOM 510 C ARG A 64 -6.667 7.609 -9.163 1.00 0.00 C ATOM 511 O ARG A 64 -7.022 6.671 -9.874 1.00 0.00 O ATOM 512 CB ARG A 64 -7.997 9.160 -7.731 1.00 0.00 C ATOM 513 CG ARG A 64 -8.700 9.452 -9.057 1.00 0.00 C ATOM 514 CD ARG A 64 -10.054 10.124 -8.824 1.00 0.00 C ATOM 515 NE ARG A 64 -10.662 10.500 -10.119 1.00 0.00 N ATOM 516 CZ ARG A 64 -11.978 10.667 -10.311 1.00 0.00 C ATOM 0 H ARG A 64 -5.930 8.627 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.008 7.020 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.726 9.164 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.277 9.949 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.071 10.096 -9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.841 8.523 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.717 9.448 -8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.927 11.010 -8.202 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.041 10.641 -10.916 1.00 0.00 H new ATOM 517 N ALA A 65 -5.756 8.508 -9.505 1.00 0.00 N ATOM 518 CA ALA A 65 -5.090 8.444 -10.795 1.00 0.00 C ATOM 519 C ALA A 65 -4.759 6.986 -11.121 1.00 0.00 C ATOM 520 O ALA A 65 -5.101 6.492 -12.194 1.00 0.00 O ATOM 521 CB ALA A 65 -3.843 9.332 -10.771 1.00 0.00 C ATOM 0 H ALA A 65 -5.463 9.284 -8.912 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.743 8.819 -11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.343 9.284 -11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.134 10.362 -10.563 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.163 8.983 -9.994 1.00 0.00 H new ATOM 522 N ILE A 66 -4.096 6.336 -10.174 1.00 0.00 N ATOM 523 CA ILE A 66 -3.716 4.945 -10.347 1.00 0.00 C ATOM 524 C ILE A 66 -4.954 4.123 -10.709 1.00 0.00 C ATOM 525 O ILE A 66 -4.908 3.288 -11.611 1.00 0.00 O ATOM 526 CB ILE A 66 -2.979 4.433 -9.108 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.475 3.004 -9.321 1.00 0.00 C ATOM 528 CG2 ILE A 66 -3.858 4.551 -7.860 1.00 0.00 C ATOM 529 CD1 ILE A 66 -3.571 1.984 -9.006 1.00 0.00 C ATOM 0 H ILE A 66 -3.813 6.748 -9.285 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.013 4.843 -11.173 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.104 5.062 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.144 2.881 -10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.609 2.821 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.311 4.180 -6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.126 5.596 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.764 3.961 -7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.187 0.976 -9.165 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.882 2.094 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.426 2.154 -9.661 1.00 0.00 H new ATOM 530 N ARG A 67 -6.034 4.389 -9.988 1.00 0.00 N ATOM 531 CA ARG A 67 -7.283 3.685 -10.222 1.00 0.00 C ATOM 532 C ARG A 67 -7.873 4.086 -11.576 1.00 0.00 C ATOM 533 O ARG A 67 -8.860 3.504 -12.023 1.00 0.00 O ATOM 534 CB ARG A 67 -8.301 3.987 -9.120 1.00 0.00 C ATOM 535 CG ARG A 67 -8.051 3.112 -7.890 1.00 0.00 C ATOM 536 CD ARG A 67 -9.105 3.371 -6.810 1.00 0.00 C ATOM 537 NE ARG A 67 -10.266 2.477 -7.012 1.00 0.00 N ATOM 538 CZ ARG A 67 -11.331 2.785 -7.766 1.00 0.00 C ATOM 0 H ARG A 67 -6.069 5.083 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.067 2.617 -10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.240 5.039 -8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.310 3.815 -9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.070 2.061 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.058 3.315 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.675 3.204 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.426 4.412 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.256 1.569 -6.548 1.00 0.00 H new ATOM 539 N GLU A 68 -7.244 5.078 -12.189 1.00 0.00 N ATOM 540 CA GLU A 68 -7.694 5.564 -13.482 1.00 0.00 C ATOM 541 C GLU A 68 -6.693 5.178 -14.572 1.00 0.00 C ATOM 542 O GLU A 68 -6.995 5.277 -15.760 1.00 0.00 O ATOM 543 CB GLU A 68 -7.916 7.077 -13.452 1.00 0.00 C ATOM 544 CG GLU A 68 -9.409 7.413 -13.482 1.00 0.00 C ATOM 545 CD GLU A 68 -9.935 7.448 -14.917 1.00 0.00 C ATOM 546 OE1 GLU A 68 -9.350 8.210 -15.718 1.00 0.00 O ATOM 547 OE2 GLU A 68 -10.910 6.711 -15.183 1.00 0.00 O ATOM 0 H GLU A 68 -6.426 5.558 -11.814 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.650 5.094 -13.712 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.463 7.497 -12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.419 7.538 -14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.964 6.672 -12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.578 8.379 -13.006 1.00 0.00 H new ATOM 548 N ASN A 69 -5.521 4.747 -14.129 1.00 0.00 N ATOM 549 CA ASN A 69 -4.473 4.346 -15.052 1.00 0.00 C ATOM 550 C ASN A 69 -4.519 2.827 -15.240 1.00 0.00 C ATOM 551 O ASN A 69 -4.625 2.341 -16.365 1.00 0.00 O ATOM 552 CB ASN A 69 -3.091 4.713 -14.510 1.00 0.00 C ATOM 553 CG ASN A 69 -1.987 3.998 -15.291 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.459 2.979 -14.877 1.00 0.00 O ATOM 555 ND2 ASN A 69 -1.670 4.585 -16.440 1.00 0.00 N ATOM 0 H ASN A 69 -5.274 4.667 -13.143 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.639 4.864 -15.996 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.946 5.791 -14.574 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.027 4.445 -13.455 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.945 4.184 -17.035 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.152 5.437 -16.727 1.00 0.00 H new ATOM 556 N PHE A 70 -4.438 2.122 -14.122 1.00 0.00 N ATOM 557 CA PHE A 70 -4.467 0.669 -14.150 1.00 0.00 C ATOM 558 C PHE A 70 -5.774 0.160 -14.763 1.00 0.00 C ATOM 559 O PHE A 70 -5.897 -1.023 -15.073 1.00 0.00 O ATOM 560 CB PHE A 70 -4.379 0.192 -12.699 1.00 0.00 C ATOM 561 CG PHE A 70 -2.988 -0.292 -12.286 1.00 0.00 C ATOM 562 CD1 PHE A 70 -1.968 0.598 -12.159 1.00 0.00 C ATOM 563 CD2 PHE A 70 -2.773 -1.614 -12.047 1.00 0.00 C ATOM 564 CE1 PHE A 70 -0.677 0.146 -11.776 1.00 0.00 C ATOM 565 CE2 PHE A 70 -1.481 -2.064 -11.664 1.00 0.00 C ATOM 566 CZ PHE A 70 -0.461 -1.174 -11.537 1.00 0.00 C ATOM 0 H PHE A 70 -4.352 2.529 -13.191 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.641 0.291 -14.753 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.679 1.007 -12.041 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.093 -0.618 -12.550 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.139 1.647 -12.349 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.584 -2.321 -12.148 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.134 0.852 -11.675 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.309 -3.113 -11.474 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.521 -1.516 -11.246 1.00 0.00 H new ATOM 567 N LYS A 71 -6.714 1.080 -14.921 1.00 0.00 N ATOM 568 CA LYS A 71 -8.006 0.738 -15.492 1.00 0.00 C ATOM 569 C LYS A 71 -7.806 0.209 -16.913 1.00 0.00 C ATOM 570 O LYS A 71 -8.365 -0.824 -17.279 1.00 0.00 O ATOM 571 CB LYS A 71 -8.960 1.932 -15.409 1.00 0.00 C ATOM 572 CG LYS A 71 -10.413 1.464 -15.291 1.00 0.00 C ATOM 573 CD LYS A 71 -10.868 1.452 -13.830 1.00 0.00 C ATOM 574 CE LYS A 71 -12.362 1.143 -13.724 1.00 0.00 C ATOM 575 NZ LYS A 71 -13.120 2.365 -13.370 1.00 0.00 N ATOM 0 H LYS A 71 -6.607 2.061 -14.664 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.478 -0.059 -14.918 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.702 2.550 -14.549 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.846 2.556 -16.295 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.059 2.122 -15.872 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.513 0.465 -15.715 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.299 0.707 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.660 2.419 -13.372 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.725 0.744 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.528 0.374 -12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.133 2.138 -13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.785 2.729 -12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.976 3.088 -14.104 1.00 0.00 H new ATOM 576 N VAL A 72 -7.008 0.940 -17.677 1.00 0.00 N ATOM 577 CA VAL A 72 -6.728 0.556 -19.050 1.00 0.00 C ATOM 578 C VAL A 72 -5.755 -0.624 -19.057 1.00 0.00 C ATOM 579 O VAL A 72 -5.926 -1.571 -19.823 1.00 0.00 O ATOM 580 CB VAL A 72 -6.209 1.763 -19.835 1.00 0.00 C ATOM 581 CG1 VAL A 72 -7.028 3.016 -19.517 1.00 0.00 C ATOM 582 CG2 VAL A 72 -4.722 1.997 -19.562 1.00 0.00 C ATOM 0 H VAL A 72 -6.546 1.797 -17.371 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.640 0.228 -19.548 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.324 1.547 -20.897 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.639 3.859 -20.087 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.071 2.847 -19.785 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.958 3.236 -18.452 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.379 2.860 -20.132 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.572 2.182 -18.498 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.154 1.116 -19.861 1.00 0.00 H new ATOM 583 N HIS A 73 -4.753 -0.529 -18.194 1.00 0.00 N ATOM 584 CA HIS A 73 -3.752 -1.578 -18.091 1.00 0.00 C ATOM 585 C HIS A 73 -4.316 -2.748 -17.283 1.00 0.00 C ATOM 586 O HIS A 73 -3.597 -3.697 -16.974 1.00 0.00 O ATOM 587 CB HIS A 73 -2.448 -1.028 -17.508 1.00 0.00 C ATOM 588 CG HIS A 73 -1.866 0.126 -18.288 1.00 0.00 C ATOM 589 ND1 HIS A 73 -0.909 -0.043 -19.275 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.112 1.465 -18.217 1.00 0.00 C ATOM 591 CE1 HIS A 73 -0.602 1.148 -19.768 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.349 2.082 -19.110 1.00 0.00 N ATOM 0 H HIS A 73 -4.613 0.258 -17.560 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.508 -1.953 -19.085 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -2.628 -0.706 -16.482 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.713 -1.832 -17.466 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.509 -0.933 -19.572 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.811 1.943 -17.546 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.114 1.345 -20.553 1.00 0.00 H new ATOM 593 N LYS A 74 -5.598 -2.642 -16.966 1.00 0.00 N ATOM 594 CA LYS A 74 -6.267 -3.681 -16.200 1.00 0.00 C ATOM 595 C LYS A 74 -6.097 -5.024 -16.912 1.00 0.00 C ATOM 596 O LYS A 74 -5.824 -6.039 -16.274 1.00 0.00 O ATOM 597 CB LYS A 74 -7.727 -3.300 -15.944 1.00 0.00 C ATOM 598 CG LYS A 74 -8.493 -4.464 -15.310 1.00 0.00 C ATOM 599 CD LYS A 74 -9.520 -5.040 -16.287 1.00 0.00 C ATOM 600 CE LYS A 74 -9.707 -6.541 -16.063 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.124 -6.849 -15.768 1.00 0.00 N ATOM 0 H LYS A 74 -6.191 -1.854 -17.225 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.810 -3.783 -15.216 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.770 -2.431 -15.288 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.202 -3.015 -16.883 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.793 -5.244 -15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.997 -4.123 -14.406 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.474 -4.528 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.194 -4.859 -17.311 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.386 -7.089 -16.949 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.077 -6.873 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.233 -7.872 -15.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.418 -6.341 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.718 -6.551 -16.568 1.00 0.00 H new ATOM 602 N SER A 75 -6.266 -4.986 -18.226 1.00 0.00 N ATOM 603 CA SER A 75 -6.135 -6.188 -19.033 1.00 0.00 C ATOM 604 C SER A 75 -4.668 -6.410 -19.405 1.00 0.00 C ATOM 605 O SER A 75 -4.336 -7.379 -20.086 1.00 0.00 O ATOM 606 CB SER A 75 -6.996 -6.101 -20.294 1.00 0.00 C ATOM 607 OG SER A 75 -7.905 -7.194 -20.396 1.00 0.00 O ATOM 0 H SER A 75 -6.492 -4.142 -18.752 1.00 0.00 H new ATOM 0 HA SER A 75 -6.486 -7.036 -18.445 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.554 -5.165 -20.288 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.351 -6.082 -21.173 1.00 0.00 H new ATOM 0 HG SER A 75 -8.438 -7.101 -21.213 1.00 0.00 H new ATOM 608 N HIS A 76 -3.827 -5.496 -18.943 1.00 0.00 N ATOM 609 CA HIS A 76 -2.404 -5.579 -19.219 1.00 0.00 C ATOM 610 C HIS A 76 -1.673 -6.116 -17.987 1.00 0.00 C ATOM 611 O HIS A 76 -0.585 -6.679 -18.102 1.00 0.00 O ATOM 612 CB HIS A 76 -1.861 -4.229 -19.689 1.00 0.00 C ATOM 613 CG HIS A 76 -2.755 -3.518 -20.678 1.00 0.00 C ATOM 614 ND1 HIS A 76 -2.262 -2.783 -21.741 1.00 0.00 N ATOM 615 CD2 HIS A 76 -4.115 -3.439 -20.751 1.00 0.00 C ATOM 616 CE1 HIS A 76 -3.288 -2.287 -22.418 1.00 0.00 C ATOM 617 NE2 HIS A 76 -4.435 -2.694 -21.802 1.00 0.00 N ATOM 0 H HIS A 76 -4.105 -4.693 -18.379 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.229 -6.279 -20.036 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.713 -3.586 -18.821 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -0.882 -4.381 -20.144 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.812 -3.903 -20.070 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.227 -1.669 -23.302 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.383 -2.464 -22.100 1.00 0.00 H new ATOM 618 N ILE A 77 -2.298 -5.921 -16.835 1.00 0.00 N ATOM 619 CA ILE A 77 -1.721 -6.378 -15.583 1.00 0.00 C ATOM 620 C ILE A 77 -2.043 -7.861 -15.389 1.00 0.00 C ATOM 621 O ILE A 77 -3.137 -8.311 -15.724 1.00 0.00 O ATOM 622 CB ILE A 77 -2.184 -5.492 -14.424 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.241 -4.302 -14.235 1.00 0.00 C ATOM 624 CG2 ILE A 77 -2.344 -6.307 -13.140 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.199 -3.429 -15.492 1.00 0.00 C ATOM 0 H ILE A 77 -3.199 -5.452 -16.743 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.635 -6.288 -15.609 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.166 -5.089 -14.672 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.569 -3.705 -13.384 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.238 -4.661 -14.004 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.674 -5.653 -12.333 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.084 -7.091 -13.297 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.388 -6.758 -12.874 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.521 -2.591 -15.330 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.847 -4.023 -16.336 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.199 -3.051 -15.706 1.00 0.00 H new ATOM 626 N LEU A 78 -1.070 -8.579 -14.848 1.00 0.00 N ATOM 627 CA LEU A 78 -1.236 -10.003 -14.605 1.00 0.00 C ATOM 628 C LEU A 78 -1.334 -10.250 -13.098 1.00 0.00 C ATOM 629 O LEU A 78 -1.078 -9.351 -12.300 1.00 0.00 O ATOM 630 CB LEU A 78 -0.120 -10.796 -15.287 1.00 0.00 C ATOM 631 CG LEU A 78 1.139 -10.006 -15.651 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.814 -8.875 -16.628 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.846 -9.492 -14.394 1.00 0.00 C ATOM 0 H LEU A 78 -0.164 -8.202 -14.571 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.166 -10.360 -15.048 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.168 -11.618 -14.631 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.522 -11.241 -16.197 1.00 0.00 H new ATOM 0 HG LEU A 78 1.830 -10.680 -16.157 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.726 -8.330 -16.870 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.389 -9.293 -17.540 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.095 -8.195 -16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.737 -8.934 -14.680 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.172 -8.839 -13.839 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.132 -10.336 -13.767 1.00 0.00 H new ATOM 634 N ALA A 79 -1.707 -11.474 -12.756 1.00 0.00 N ATOM 635 CA ALA A 79 -1.843 -11.852 -11.359 1.00 0.00 C ATOM 636 C ALA A 79 -0.487 -11.709 -10.662 1.00 0.00 C ATOM 637 O ALA A 79 0.522 -12.214 -11.152 1.00 0.00 O ATOM 638 CB ALA A 79 -2.399 -13.274 -11.266 1.00 0.00 C ATOM 0 H ALA A 79 -1.919 -12.217 -13.422 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.547 -11.193 -10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.501 -13.557 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.375 -13.315 -11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.718 -13.964 -11.764 1.00 0.00 H new ATOM 639 N LYS A 80 -0.509 -11.019 -9.532 1.00 0.00 N ATOM 640 CA LYS A 80 0.706 -10.804 -8.764 1.00 0.00 C ATOM 641 C LYS A 80 0.446 -9.739 -7.696 1.00 0.00 C ATOM 642 O LYS A 80 0.121 -8.597 -8.019 1.00 0.00 O ATOM 643 CB LYS A 80 1.875 -10.471 -9.692 1.00 0.00 C ATOM 644 CG LYS A 80 2.755 -11.701 -9.929 1.00 0.00 C ATOM 645 CD LYS A 80 3.218 -11.771 -11.385 1.00 0.00 C ATOM 646 CE LYS A 80 3.605 -13.201 -11.769 1.00 0.00 C ATOM 647 NZ LYS A 80 4.400 -13.206 -13.016 1.00 0.00 N ATOM 0 H LYS A 80 -1.348 -10.602 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 80 0.994 -11.717 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.494 -10.103 -10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.473 -9.670 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.622 -11.665 -9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.200 -12.604 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.422 -11.417 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.071 -11.108 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.179 -13.657 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.707 -13.804 -11.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.654 -14.184 -13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.839 -12.790 -13.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.266 -12.648 -12.878 1.00 0.00 H new ATOM 648 N ASP A 81 0.600 -10.151 -6.446 1.00 0.00 N ATOM 649 CA ASP A 81 0.387 -9.246 -5.329 1.00 0.00 C ATOM 650 C ASP A 81 1.195 -7.967 -5.551 1.00 0.00 C ATOM 651 O ASP A 81 2.424 -7.992 -5.519 1.00 0.00 O ATOM 652 CB ASP A 81 0.851 -9.876 -4.014 1.00 0.00 C ATOM 653 CG ASP A 81 1.862 -11.014 -4.164 1.00 0.00 C ATOM 654 OD1 ASP A 81 1.616 -11.883 -5.028 1.00 0.00 O ATOM 655 OD2 ASP A 81 2.860 -10.990 -3.410 1.00 0.00 O ATOM 0 H ASP A 81 0.870 -11.099 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.680 -9.030 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.292 -9.098 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.022 -10.253 -3.481 1.00 0.00 H new ATOM 656 N ILE A 82 0.472 -6.879 -5.774 1.00 0.00 N ATOM 657 CA ILE A 82 1.107 -5.593 -6.003 1.00 0.00 C ATOM 658 C ILE A 82 0.492 -4.551 -5.065 1.00 0.00 C ATOM 659 O ILE A 82 -0.253 -4.898 -4.151 1.00 0.00 O ATOM 660 CB ILE A 82 1.027 -5.211 -7.482 1.00 0.00 C ATOM 661 CG1 ILE A 82 -0.309 -5.644 -8.089 1.00 0.00 C ATOM 662 CG2 ILE A 82 2.219 -5.774 -8.259 1.00 0.00 C ATOM 663 CD1 ILE A 82 -1.392 -4.594 -7.835 1.00 0.00 C ATOM 0 H ILE A 82 -0.548 -6.862 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 82 2.170 -5.647 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 82 1.078 -4.125 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.192 -5.799 -9.162 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.615 -6.598 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.138 -5.488 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.145 -5.375 -7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.225 -6.861 -8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.332 -4.926 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.523 -4.459 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.094 -3.647 -8.286 1.00 0.00 H new ATOM 664 N ILE A 83 0.828 -3.296 -5.325 1.00 0.00 N ATOM 665 CA ILE A 83 0.319 -2.203 -4.516 1.00 0.00 C ATOM 666 C ILE A 83 0.998 -0.900 -4.941 1.00 0.00 C ATOM 667 O ILE A 83 2.222 -0.840 -5.052 1.00 0.00 O ATOM 668 CB ILE A 83 0.473 -2.520 -3.027 1.00 0.00 C ATOM 669 CG1 ILE A 83 -0.861 -2.950 -2.416 1.00 0.00 C ATOM 670 CG2 ILE A 83 1.093 -1.339 -2.276 1.00 0.00 C ATOM 671 CD1 ILE A 83 -0.645 -3.938 -1.267 1.00 0.00 C ATOM 0 H ILE A 83 1.447 -3.012 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.751 -2.074 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 83 1.158 -3.362 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.397 -2.074 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.485 -3.409 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.191 -1.591 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.077 -1.121 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.452 -0.464 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.610 -4.228 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.130 -4.823 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.041 -3.467 -0.491 1.00 0.00 H new ATOM 672 N VAL A 84 0.175 0.114 -5.166 1.00 0.00 N ATOM 673 CA VAL A 84 0.681 1.413 -5.578 1.00 0.00 C ATOM 674 C VAL A 84 0.765 2.331 -4.357 1.00 0.00 C ATOM 675 O VAL A 84 -0.258 2.773 -3.836 1.00 0.00 O ATOM 676 CB VAL A 84 -0.192 1.984 -6.696 1.00 0.00 C ATOM 677 CG1 VAL A 84 -0.300 1.000 -7.863 1.00 0.00 C ATOM 678 CG2 VAL A 84 -1.576 2.368 -6.171 1.00 0.00 C ATOM 0 H VAL A 84 -0.839 0.062 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 84 1.687 1.320 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 84 0.287 2.891 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.926 1.430 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.694 0.800 -8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.745 0.068 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.176 2.771 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.067 1.486 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.473 3.121 -5.390 1.00 0.00 H new ATOM 679 N ILE A 85 1.995 2.592 -3.936 1.00 0.00 N ATOM 680 CA ILE A 85 2.226 3.450 -2.787 1.00 0.00 C ATOM 681 C ILE A 85 2.869 4.758 -3.254 1.00 0.00 C ATOM 682 O ILE A 85 3.632 4.769 -4.218 1.00 0.00 O ATOM 683 CB ILE A 85 3.038 2.711 -1.721 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.679 1.224 -1.691 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.872 3.370 -0.351 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.855 0.366 -2.163 1.00 0.00 C ATOM 0 H ILE A 85 2.841 2.224 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 85 1.281 3.711 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 85 4.093 2.781 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.397 0.935 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.813 1.042 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.459 2.825 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.218 4.403 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.821 3.352 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.573 -0.686 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.119 0.641 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.712 0.532 -1.510 1.00 0.00 H new ATOM 687 N ALA A 86 2.538 5.828 -2.546 1.00 0.00 N ATOM 688 CA ALA A 86 3.072 7.138 -2.876 1.00 0.00 C ATOM 689 C ALA A 86 4.267 7.439 -1.968 1.00 0.00 C ATOM 690 O ALA A 86 4.145 7.403 -0.744 1.00 0.00 O ATOM 691 CB ALA A 86 1.967 8.188 -2.752 1.00 0.00 C ATOM 0 H ALA A 86 1.907 5.814 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 86 3.426 7.159 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.369 9.170 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.155 7.945 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.588 8.198 -1.730 1.00 0.00 H new ATOM 692 N ARG A 87 5.393 7.730 -2.601 1.00 0.00 N ATOM 693 CA ARG A 87 6.608 8.038 -1.866 1.00 0.00 C ATOM 694 C ARG A 87 6.314 9.049 -0.756 1.00 0.00 C ATOM 695 O ARG A 87 5.157 9.366 -0.490 1.00 0.00 O ATOM 696 CB ARG A 87 7.684 8.607 -2.793 1.00 0.00 C ATOM 697 CG ARG A 87 8.183 7.542 -3.772 1.00 0.00 C ATOM 698 CD ARG A 87 9.170 6.591 -3.092 1.00 0.00 C ATOM 699 NE ARG A 87 10.494 7.241 -2.970 1.00 0.00 N ATOM 700 CZ ARG A 87 11.505 6.753 -2.236 1.00 0.00 C ATOM 0 H ARG A 87 5.490 7.759 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 87 6.976 7.110 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.281 9.455 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.519 8.981 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.337 6.976 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.664 8.023 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.799 6.313 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.259 5.671 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 87 10.647 8.114 -3.475 1.00 0.00 H new ATOM 701 N GLN A 88 7.385 9.526 -0.136 1.00 0.00 N ATOM 702 CA GLN A 88 7.257 10.494 0.940 1.00 0.00 C ATOM 703 C GLN A 88 6.481 11.723 0.459 1.00 0.00 C ATOM 704 O GLN A 88 5.523 12.148 1.102 1.00 0.00 O ATOM 705 CB GLN A 88 8.628 10.892 1.486 1.00 0.00 C ATOM 706 CG GLN A 88 8.721 10.619 2.989 1.00 0.00 C ATOM 707 CD GLN A 88 8.530 9.130 3.288 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.451 8.672 3.628 1.00 0.00 O ATOM 709 NE2 GLN A 88 9.634 8.404 3.144 1.00 0.00 N ATOM 0 H GLN A 88 8.344 9.260 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 88 6.699 10.031 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.407 10.337 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.807 11.950 1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.691 10.947 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.963 11.200 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.505 8.851 2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.611 7.400 3.321 1.00 0.00 H new ATOM 710 N PRO A 89 6.936 12.273 -0.699 1.00 0.00 N ATOM 711 CA PRO A 89 6.297 13.444 -1.274 1.00 0.00 C ATOM 712 C PRO A 89 4.966 13.074 -1.932 1.00 0.00 C ATOM 713 O PRO A 89 3.944 12.967 -1.257 1.00 0.00 O ATOM 714 CB PRO A 89 7.311 14.003 -2.257 1.00 0.00 C ATOM 715 CG PRO A 89 8.286 12.872 -2.539 1.00 0.00 C ATOM 716 CD PRO A 89 8.069 11.797 -1.488 1.00 0.00 C ATOM 0 HA PRO A 89 6.036 14.191 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.824 14.336 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.826 14.867 -1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.123 12.468 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.313 13.236 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.854 10.832 -1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.956 11.665 -0.868 1.00 0.00 H new ATOM 717 N ALA A 90 5.023 12.888 -3.244 1.00 0.00 N ATOM 718 CA ALA A 90 3.835 12.533 -4.001 1.00 0.00 C ATOM 719 C ALA A 90 2.785 13.635 -3.842 1.00 0.00 C ATOM 720 O ALA A 90 1.661 13.499 -4.322 1.00 0.00 O ATOM 721 CB ALA A 90 3.322 11.168 -3.535 1.00 0.00 C ATOM 0 H ALA A 90 5.873 12.977 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 90 4.067 12.450 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.431 10.901 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.094 10.415 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.076 11.215 -2.474 1.00 0.00 H new ATOM 722 N LYS A 91 3.190 14.700 -3.167 1.00 0.00 N ATOM 723 CA LYS A 91 2.298 15.825 -2.940 1.00 0.00 C ATOM 724 C LYS A 91 2.549 16.892 -4.007 1.00 0.00 C ATOM 725 O LYS A 91 1.616 17.555 -4.458 1.00 0.00 O ATOM 726 CB LYS A 91 2.442 16.342 -1.507 1.00 0.00 C ATOM 727 CG LYS A 91 3.873 16.810 -1.234 1.00 0.00 C ATOM 728 CD LYS A 91 3.915 18.316 -0.968 1.00 0.00 C ATOM 729 CE LYS A 91 5.342 18.780 -0.664 1.00 0.00 C ATOM 730 NZ LYS A 91 5.666 18.557 0.763 1.00 0.00 N ATOM 0 H LYS A 91 4.123 14.808 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 91 1.258 15.513 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.748 17.167 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.173 15.554 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.277 16.274 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.507 16.570 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.531 18.853 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.263 18.559 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.049 18.238 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.446 19.838 -0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.637 18.877 0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.002 19.093 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.586 17.544 0.983 1.00 0.00 H new ATOM 731 N ASP A 92 3.814 17.027 -4.378 1.00 0.00 N ATOM 732 CA ASP A 92 4.198 18.003 -5.384 1.00 0.00 C ATOM 733 C ASP A 92 3.913 17.434 -6.775 1.00 0.00 C ATOM 734 O ASP A 92 4.156 18.098 -7.782 1.00 0.00 O ATOM 735 CB ASP A 92 5.692 18.320 -5.299 1.00 0.00 C ATOM 736 CG ASP A 92 6.074 19.746 -5.703 1.00 0.00 C ATOM 737 OD1 ASP A 92 5.149 20.496 -6.082 1.00 0.00 O ATOM 738 OD2 ASP A 92 7.283 20.053 -5.625 1.00 0.00 O ATOM 0 H ASP A 92 4.586 16.477 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 92 3.625 18.914 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 92 6.028 18.146 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.233 17.620 -5.936 1.00 0.00 H new ATOM 739 N MET A 93 3.402 16.212 -6.787 1.00 0.00 N ATOM 740 CA MET A 93 3.081 15.547 -8.039 1.00 0.00 C ATOM 741 C MET A 93 1.581 15.613 -8.325 1.00 0.00 C ATOM 742 O MET A 93 0.764 15.469 -7.417 1.00 0.00 O ATOM 743 CB MET A 93 3.525 14.085 -7.968 1.00 0.00 C ATOM 744 CG MET A 93 3.122 13.327 -9.235 1.00 0.00 C ATOM 745 SD MET A 93 2.878 11.599 -8.862 1.00 0.00 S ATOM 746 CE MET A 93 1.813 11.737 -7.437 1.00 0.00 C ATOM 0 H MET A 93 3.202 15.665 -5.950 1.00 0.00 H new ATOM 0 HA MET A 93 3.608 16.057 -8.846 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.606 14.035 -7.839 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.078 13.607 -7.096 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.206 13.751 -9.647 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.895 13.438 -9.996 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.216 10.830 -7.339 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.419 11.871 -6.541 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.152 12.595 -7.559 1.00 0.00 H new ATOM 747 N THR A 94 1.261 15.831 -9.592 1.00 0.00 N ATOM 748 CA THR A 94 -0.128 15.918 -10.011 1.00 0.00 C ATOM 749 C THR A 94 -0.528 14.665 -10.794 1.00 0.00 C ATOM 750 O THR A 94 0.313 14.031 -11.428 1.00 0.00 O ATOM 751 CB THR A 94 -0.301 17.213 -10.807 1.00 0.00 C ATOM 752 OG1 THR A 94 0.830 17.243 -11.673 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.138 18.461 -9.937 1.00 0.00 C ATOM 0 H THR A 94 1.941 15.950 -10.343 1.00 0.00 H new ATOM 0 HA THR A 94 -0.799 15.955 -9.153 1.00 0.00 H new ATOM 0 HB THR A 94 -1.286 17.222 -11.274 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.796 18.051 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.270 19.352 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.886 18.452 -9.144 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.859 18.469 -9.496 1.00 0.00 H new ATOM 754 N THR A 95 -1.812 14.347 -10.721 1.00 0.00 N ATOM 755 CA THR A 95 -2.335 13.182 -11.415 1.00 0.00 C ATOM 756 C THR A 95 -1.839 13.157 -12.863 1.00 0.00 C ATOM 757 O THR A 95 -1.781 12.097 -13.484 1.00 0.00 O ATOM 758 CB THR A 95 -3.860 13.205 -11.296 1.00 0.00 C ATOM 759 OG1 THR A 95 -4.133 12.356 -10.184 1.00 0.00 O ATOM 760 CG2 THR A 95 -4.550 12.513 -12.472 1.00 0.00 C ATOM 0 H THR A 95 -2.506 14.876 -10.192 1.00 0.00 H new ATOM 0 HA THR A 95 -1.974 12.258 -10.964 1.00 0.00 H new ATOM 0 HB THR A 95 -4.204 14.237 -11.231 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.101 12.314 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.631 12.558 -12.337 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.279 13.016 -13.400 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.233 11.471 -12.518 1.00 0.00 H new ATOM 761 N LEU A 96 -1.495 14.337 -13.358 1.00 0.00 N ATOM 762 CA LEU A 96 -1.006 14.464 -14.720 1.00 0.00 C ATOM 763 C LEU A 96 0.336 13.739 -14.846 1.00 0.00 C ATOM 764 O LEU A 96 0.607 13.100 -15.861 1.00 0.00 O ATOM 765 CB LEU A 96 -0.953 15.935 -15.136 1.00 0.00 C ATOM 766 CG LEU A 96 -0.793 16.203 -16.634 1.00 0.00 C ATOM 767 CD1 LEU A 96 0.680 16.387 -17.004 1.00 0.00 C ATOM 768 CD2 LEU A 96 -1.459 15.103 -17.462 1.00 0.00 C ATOM 0 H LEU A 96 -1.545 15.214 -12.840 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.693 13.985 -15.417 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.867 16.421 -14.796 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.124 16.411 -14.611 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.303 17.137 -16.870 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.765 16.576 -18.074 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.091 17.232 -16.452 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.235 15.484 -16.750 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.331 15.318 -18.523 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.999 14.143 -17.228 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.522 15.063 -17.226 1.00 0.00 H new ATOM 769 N GLN A 97 1.139 13.864 -13.800 1.00 0.00 N ATOM 770 CA GLN A 97 2.446 13.229 -13.780 1.00 0.00 C ATOM 771 C GLN A 97 2.321 11.772 -13.331 1.00 0.00 C ATOM 772 O GLN A 97 3.231 10.973 -13.544 1.00 0.00 O ATOM 773 CB GLN A 97 3.416 13.999 -12.882 1.00 0.00 C ATOM 774 CG GLN A 97 3.174 15.507 -12.980 1.00 0.00 C ATOM 775 CD GLN A 97 4.266 16.286 -12.244 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.331 15.775 -11.939 1.00 0.00 O ATOM 777 NE2 GLN A 97 3.943 17.548 -11.977 1.00 0.00 N ATOM 0 H GLN A 97 0.910 14.396 -12.960 1.00 0.00 H new ATOM 0 HA GLN A 97 2.851 13.243 -14.792 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.296 13.674 -11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.442 13.772 -13.170 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.151 15.808 -14.027 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.200 15.751 -12.556 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.034 17.913 -12.261 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.605 18.151 -11.489 1.00 0.00 H new ATOM 778 N ILE A 98 1.187 11.471 -12.716 1.00 0.00 N ATOM 779 CA ILE A 98 0.931 10.124 -12.234 1.00 0.00 C ATOM 780 C ILE A 98 0.732 9.188 -13.428 1.00 0.00 C ATOM 781 O ILE A 98 1.453 8.204 -13.577 1.00 0.00 O ATOM 782 CB ILE A 98 -0.238 10.120 -11.247 1.00 0.00 C ATOM 783 CG1 ILE A 98 0.149 10.807 -9.936 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.758 8.700 -11.018 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.088 11.098 -9.084 1.00 0.00 C ATOM 0 H ILE A 98 0.435 12.137 -12.540 1.00 0.00 H new ATOM 0 HA ILE A 98 1.789 9.750 -11.676 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.055 10.695 -11.683 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.838 10.173 -9.378 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.675 11.738 -10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.588 8.726 -10.313 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.099 8.280 -11.964 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.042 8.080 -10.614 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.785 11.586 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.764 11.752 -9.635 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.598 10.163 -8.851 1.00 0.00 H new ATOM 786 N GLN A 99 -0.252 9.530 -14.248 1.00 0.00 N ATOM 787 CA GLN A 99 -0.556 8.733 -15.424 1.00 0.00 C ATOM 788 C GLN A 99 0.672 8.637 -16.333 1.00 0.00 C ATOM 789 O GLN A 99 0.730 7.783 -17.216 1.00 0.00 O ATOM 790 CB GLN A 99 -1.754 9.309 -16.182 1.00 0.00 C ATOM 791 CG GLN A 99 -3.009 9.307 -15.305 1.00 0.00 C ATOM 792 CD GLN A 99 -3.755 10.639 -15.413 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.171 11.711 -15.392 1.00 0.00 O ATOM 794 NE2 GLN A 99 -5.074 10.513 -15.528 1.00 0.00 N ATOM 0 H GLN A 99 -0.848 10.348 -14.121 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.822 7.728 -15.098 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.531 10.327 -16.502 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.935 8.723 -17.083 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.667 8.492 -15.607 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.731 9.125 -14.267 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.499 9.586 -15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.661 11.344 -15.605 1.00 0.00 H new ATOM 795 N ASN A 100 1.622 9.526 -16.084 1.00 0.00 N ATOM 796 CA ASN A 100 2.846 9.552 -16.868 1.00 0.00 C ATOM 797 C ASN A 100 3.962 8.857 -16.086 1.00 0.00 C ATOM 798 O ASN A 100 4.978 8.468 -16.662 1.00 0.00 O ATOM 799 CB ASN A 100 3.288 10.989 -17.150 1.00 0.00 C ATOM 800 CG ASN A 100 2.523 11.577 -18.336 1.00 0.00 C ATOM 801 OD1 ASN A 100 2.436 10.993 -19.403 1.00 0.00 O ATOM 802 ND2 ASN A 100 1.973 12.764 -18.091 1.00 0.00 N ATOM 0 H ASN A 100 1.569 10.233 -15.351 1.00 0.00 H new ATOM 0 HA ASN A 100 2.654 9.043 -17.812 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.122 11.604 -16.265 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.358 11.010 -17.357 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.440 13.239 -18.819 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.084 13.198 -17.175 1.00 0.00 H new ATOM 803 N SER A 101 3.738 8.723 -14.788 1.00 0.00 N ATOM 804 CA SER A 101 4.712 8.082 -13.922 1.00 0.00 C ATOM 805 C SER A 101 4.411 6.586 -13.813 1.00 0.00 C ATOM 806 O SER A 101 5.324 5.762 -13.834 1.00 0.00 O ATOM 807 CB SER A 101 4.721 8.724 -12.533 1.00 0.00 C ATOM 808 OG SER A 101 5.494 9.921 -12.504 1.00 0.00 O ATOM 0 H SER A 101 2.895 9.048 -14.314 1.00 0.00 H new ATOM 0 HA SER A 101 5.701 8.216 -14.361 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.698 8.946 -12.229 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.122 8.015 -11.808 1.00 0.00 H new ATOM 0 HG SER A 101 4.965 10.661 -12.870 1.00 0.00 H new ATOM 809 N LEU A 102 3.126 6.279 -13.698 1.00 0.00 N ATOM 810 CA LEU A 102 2.693 4.897 -13.586 1.00 0.00 C ATOM 811 C LEU A 102 3.285 4.086 -14.741 1.00 0.00 C ATOM 812 O LEU A 102 3.434 2.870 -14.638 1.00 0.00 O ATOM 813 CB LEU A 102 1.168 4.819 -13.498 1.00 0.00 C ATOM 814 CG LEU A 102 0.588 4.630 -12.094 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.213 5.860 -11.662 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.244 3.348 -12.014 1.00 0.00 C ATOM 0 H LEU A 102 2.371 6.965 -13.680 1.00 0.00 H new ATOM 0 HA LEU A 102 3.066 4.455 -12.662 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.752 5.733 -13.922 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.829 3.994 -14.124 1.00 0.00 H new ATOM 0 HG LEU A 102 1.416 4.522 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.614 5.700 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.438 6.734 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.034 6.023 -12.360 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.645 3.237 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.066 3.403 -12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.386 2.490 -12.251 1.00 0.00 H new ATOM 817 N GLU A 103 3.606 4.793 -15.815 1.00 0.00 N ATOM 818 CA GLU A 103 4.178 4.155 -16.988 1.00 0.00 C ATOM 819 C GLU A 103 5.639 3.784 -16.731 1.00 0.00 C ATOM 820 O GLU A 103 6.314 3.256 -17.614 1.00 0.00 O ATOM 821 CB GLU A 103 4.048 5.054 -18.220 1.00 0.00 C ATOM 822 CG GLU A 103 2.949 4.547 -19.156 1.00 0.00 C ATOM 823 CD GLU A 103 3.544 4.002 -20.455 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.194 4.803 -21.162 1.00 0.00 O ATOM 825 OE2 GLU A 103 3.336 2.797 -20.713 1.00 0.00 O ATOM 0 H GLU A 103 3.481 5.802 -15.897 1.00 0.00 H new ATOM 0 HA GLU A 103 3.621 3.239 -17.187 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.823 6.074 -17.908 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.998 5.086 -18.753 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.375 3.765 -18.659 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.256 5.357 -19.381 1.00 0.00 H new ATOM 826 N HIS A 104 6.087 4.075 -15.519 1.00 0.00 N ATOM 827 CA HIS A 104 7.456 3.778 -15.135 1.00 0.00 C ATOM 828 C HIS A 104 7.460 2.948 -13.850 1.00 0.00 C ATOM 829 O HIS A 104 7.701 1.742 -13.886 1.00 0.00 O ATOM 830 CB HIS A 104 8.276 5.064 -15.012 1.00 0.00 C ATOM 831 CG HIS A 104 9.630 4.870 -14.371 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.733 5.640 -14.699 1.00 0.00 N ATOM 833 CD2 HIS A 104 10.047 3.988 -13.418 1.00 0.00 C ATOM 834 CE1 HIS A 104 11.761 5.230 -13.972 1.00 0.00 C ATOM 835 NE2 HIS A 104 11.335 4.206 -13.178 1.00 0.00 N ATOM 0 H HIS A 104 5.525 4.514 -14.789 1.00 0.00 H new ATOM 0 HA HIS A 104 7.935 3.183 -15.912 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.413 5.492 -16.005 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.710 5.790 -14.428 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.751 6.395 -15.384 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.434 3.239 -12.939 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.762 5.635 -14.002 1.00 0.00 H new ATOM 836 N VAL A 105 7.191 3.626 -12.744 1.00 0.00 N ATOM 837 CA VAL A 105 7.161 2.966 -11.450 1.00 0.00 C ATOM 838 C VAL A 105 6.446 1.620 -11.585 1.00 0.00 C ATOM 839 O VAL A 105 6.981 0.586 -11.188 1.00 0.00 O ATOM 840 CB VAL A 105 6.514 3.883 -10.409 1.00 0.00 C ATOM 841 CG1 VAL A 105 4.991 3.888 -10.552 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.931 3.484 -8.993 1.00 0.00 C ATOM 0 H VAL A 105 6.992 4.626 -12.717 1.00 0.00 H new ATOM 0 HA VAL A 105 8.174 2.764 -11.102 1.00 0.00 H new ATOM 0 HB VAL A 105 6.870 4.897 -10.590 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.557 4.547 -9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.720 4.243 -11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.609 2.877 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.458 4.151 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.619 2.458 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.014 3.558 -8.898 1.00 0.00 H new ATOM 843 N LEU A 106 5.248 1.676 -12.148 1.00 0.00 N ATOM 844 CA LEU A 106 4.454 0.474 -12.341 1.00 0.00 C ATOM 845 C LEU A 106 5.142 -0.425 -13.370 1.00 0.00 C ATOM 846 O LEU A 106 5.164 -1.646 -13.217 1.00 0.00 O ATOM 847 CB LEU A 106 3.013 0.836 -12.704 1.00 0.00 C ATOM 848 CG LEU A 106 2.482 0.243 -14.011 1.00 0.00 C ATOM 849 CD1 LEU A 106 1.967 -1.181 -13.798 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.418 1.150 -14.633 1.00 0.00 C ATOM 0 H LEU A 106 4.808 2.535 -12.477 1.00 0.00 H new ATOM 0 HA LEU A 106 4.390 -0.094 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.362 0.514 -11.891 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.936 1.922 -12.763 1.00 0.00 H new ATOM 0 HG LEU A 106 3.309 0.184 -14.719 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.595 -1.579 -14.742 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.779 -1.811 -13.433 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.159 -1.170 -13.066 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.058 0.705 -15.561 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.586 1.264 -13.938 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.851 2.128 -14.844 1.00 0.00 H new ATOM 851 N LYS A 107 5.684 0.213 -14.397 1.00 0.00 N ATOM 852 CA LYS A 107 6.370 -0.514 -15.452 1.00 0.00 C ATOM 853 C LYS A 107 7.486 -1.363 -14.838 1.00 0.00 C ATOM 854 O LYS A 107 7.763 -2.466 -15.309 1.00 0.00 O ATOM 855 CB LYS A 107 6.855 0.447 -16.538 1.00 0.00 C ATOM 856 CG LYS A 107 8.384 0.512 -16.570 1.00 0.00 C ATOM 857 CD LYS A 107 8.872 1.362 -17.744 1.00 0.00 C ATOM 858 CE LYS A 107 10.313 1.828 -17.522 1.00 0.00 C ATOM 859 NZ LYS A 107 10.728 2.758 -18.596 1.00 0.00 N ATOM 0 H LYS A 107 5.662 1.225 -14.521 1.00 0.00 H new ATOM 0 HA LYS A 107 5.684 -1.200 -15.950 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.481 0.123 -17.509 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.449 1.442 -16.356 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.753 0.932 -15.634 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.793 -0.495 -16.651 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.811 0.784 -18.666 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.221 2.228 -17.866 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.397 2.321 -16.553 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.981 0.967 -17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.708 3.065 -18.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.667 2.276 -19.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.101 3.588 -18.598 1.00 0.00 H new ATOM 860 N ILE A 108 8.096 -0.818 -13.797 1.00 0.00 N ATOM 861 CA ILE A 108 9.176 -1.510 -13.114 1.00 0.00 C ATOM 862 C ILE A 108 8.585 -2.556 -12.167 1.00 0.00 C ATOM 863 O ILE A 108 9.231 -3.558 -11.862 1.00 0.00 O ATOM 864 CB ILE A 108 10.103 -0.508 -12.423 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.609 0.543 -13.412 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.251 -1.225 -11.711 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.721 1.391 -12.790 1.00 0.00 C ATOM 0 H ILE A 108 7.863 0.096 -13.409 1.00 0.00 H new ATOM 0 HA ILE A 108 9.801 -2.044 -13.830 1.00 0.00 H new ATOM 0 HB ILE A 108 9.530 0.018 -11.660 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.981 0.052 -14.311 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.784 1.186 -13.718 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.895 -0.490 -11.228 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.846 -1.903 -10.959 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.831 -1.794 -12.438 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.063 2.130 -13.514 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.339 1.900 -11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.554 0.748 -12.507 1.00 0.00 H new ATOM 868 N ALA A 109 7.365 -2.288 -11.726 1.00 0.00 N ATOM 869 CA ALA A 109 6.681 -3.194 -10.819 1.00 0.00 C ATOM 870 C ALA A 109 6.749 -4.617 -11.379 1.00 0.00 C ATOM 871 O ALA A 109 6.845 -5.581 -10.620 1.00 0.00 O ATOM 872 CB ALA A 109 5.240 -2.719 -10.613 1.00 0.00 C ATOM 0 H ALA A 109 6.832 -1.456 -11.980 1.00 0.00 H new ATOM 0 HA ALA A 109 7.167 -3.199 -9.843 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.727 -3.398 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.245 -1.715 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.721 -2.705 -11.571 1.00 0.00 H new ATOM 873 N LYS A 110 6.699 -4.703 -12.700 1.00 0.00 N ATOM 874 CA LYS A 110 6.755 -5.991 -13.369 1.00 0.00 C ATOM 875 C LYS A 110 5.339 -6.555 -13.499 1.00 0.00 C ATOM 876 O LYS A 110 5.161 -7.759 -13.680 1.00 0.00 O ATOM 877 CB LYS A 110 7.726 -6.928 -12.647 1.00 0.00 C ATOM 878 CG LYS A 110 8.205 -8.044 -13.577 1.00 0.00 C ATOM 879 CD LYS A 110 8.588 -9.294 -12.782 1.00 0.00 C ATOM 880 CE LYS A 110 9.450 -10.237 -13.623 1.00 0.00 C ATOM 881 NZ LYS A 110 8.599 -11.063 -14.511 1.00 0.00 N ATOM 0 H LYS A 110 6.620 -3.901 -13.325 1.00 0.00 H new ATOM 0 HA LYS A 110 7.148 -5.879 -14.379 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.582 -6.360 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.237 -7.362 -11.774 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.419 -8.290 -14.291 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.063 -7.698 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.131 -9.005 -11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.686 -9.813 -12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.156 -9.659 -14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.038 -10.882 -12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.199 -11.698 -15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.943 -11.628 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.057 -10.444 -15.147 1.00 0.00 H new ATOM 882 N VAL A 111 4.368 -5.660 -13.402 1.00 0.00 N ATOM 883 CA VAL A 111 2.973 -6.052 -13.506 1.00 0.00 C ATOM 884 C VAL A 111 2.530 -5.961 -14.968 1.00 0.00 C ATOM 885 O VAL A 111 1.349 -5.764 -15.251 1.00 0.00 O ATOM 886 CB VAL A 111 2.117 -5.201 -12.567 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.441 -5.504 -11.103 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.289 -3.710 -12.869 1.00 0.00 C ATOM 0 H VAL A 111 4.520 -4.663 -13.252 1.00 0.00 H new ATOM 0 HA VAL A 111 2.843 -7.087 -13.191 1.00 0.00 H new ATOM 0 HB VAL A 111 1.072 -5.460 -12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.818 -4.885 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.244 -6.556 -10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.492 -5.287 -10.910 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.670 -3.127 -12.187 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.334 -3.431 -12.738 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.985 -3.510 -13.897 1.00 0.00 H new ATOM 889 N PHE A 112 3.501 -6.106 -15.858 1.00 0.00 N ATOM 890 CA PHE A 112 3.226 -6.043 -17.283 1.00 0.00 C ATOM 891 C PHE A 112 3.777 -7.274 -18.003 1.00 0.00 C ATOM 892 O PHE A 112 4.962 -7.584 -17.891 1.00 0.00 O ATOM 893 CB PHE A 112 3.930 -4.794 -17.818 1.00 0.00 C ATOM 894 CG PHE A 112 3.056 -3.539 -17.820 1.00 0.00 C ATOM 895 CD1 PHE A 112 1.759 -3.613 -18.224 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.575 -2.348 -17.417 1.00 0.00 C ATOM 897 CE1 PHE A 112 0.948 -2.448 -18.224 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.763 -1.183 -17.418 1.00 0.00 C ATOM 899 CZ PHE A 112 1.467 -1.257 -17.822 1.00 0.00 C ATOM 0 H PHE A 112 4.480 -6.267 -15.619 1.00 0.00 H new ATOM 0 HA PHE A 112 2.150 -6.009 -17.454 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.818 -4.604 -17.216 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.270 -4.989 -18.835 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.346 -4.558 -18.545 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.605 -2.288 -17.096 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.082 -2.508 -18.543 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.175 -0.238 -17.098 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.850 -0.371 -17.824 1.00 0.00 H new ATOM 900 N ASN A 113 2.892 -7.942 -18.728 1.00 0.00 N ATOM 901 CA ASN A 113 3.275 -9.132 -19.468 1.00 0.00 C ATOM 902 C ASN A 113 4.473 -8.807 -20.364 1.00 0.00 C ATOM 903 O ASN A 113 5.299 -9.676 -20.642 1.00 0.00 O ATOM 904 CB ASN A 113 2.133 -9.617 -20.363 1.00 0.00 C ATOM 905 CG ASN A 113 0.909 -10.001 -19.529 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.888 -11.004 -18.834 1.00 0.00 O ATOM 907 ND2 ASN A 113 -0.107 -9.151 -19.637 1.00 0.00 N ATOM 0 H ASN A 113 1.910 -7.681 -18.819 1.00 0.00 H new ATOM 0 HA ASN A 113 3.523 -9.911 -18.747 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.864 -8.834 -21.072 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.464 -10.476 -20.947 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.970 -9.320 -19.120 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.024 -8.330 -20.237 1.00 0.00 H new