USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=16 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 69 ASN : amide:sc= -11.6! C(o=-21!,f=-31!) USER MOD Set 1.2: A 73 HIS : no HD1:sc= -9.44! C(o=-21!,f=-25!) USER MOD Set 2.1: A 50 SER OG : rot 130:sc= 0.191 USER MOD Set 2.2: A 88 GLN : amide:sc= -0.127 K(o=0.065,f=-2.2!) USER MOD Set 3.1: A 27 ASN : amide:sc= -10.6! C(o=-28!,f=-34!) USER MOD Set 3.2: A 104 HIS : no HE2:sc= -17.4! C(o=-28!,f=-31!) 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= -0.186 K(o=-0.19,f=-2!) USER MOD Single : A 16 GLN : amide:sc= -4.35! C(o=-4.4!,f=-7.4!) 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= -2.78 X(o=-2.8,f=-3.1) USER MOD Single : A 24 SER OG : rot -161:sc= 0.31 USER MOD Single : A 29 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.0059) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -160:sc= -1.35 USER MOD Single : A 42 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.0087) USER MOD Single : A 48 SER OG : rot 180:sc= 0 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= -4.82! K(o=-4.8!,f=-0.71) USER MOD Single : A 60 ASN : amide:sc=-0.00023 X(o=-0.00023,f=-0.089) USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.0339 (180deg=-0.45) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= -0.468 (180deg=-1.54!) USER MOD Single : A 75 SER OG : rot 180:sc=0.000591 USER MOD Single : A 76 HIS : no HE2:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= -0.0818 (180deg=-0.294) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -170:sc= -12.2! (180deg=-12.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.841 K(o=-0.84,f=-0.1) USER MOD Single : A 100 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 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= -8.33! C(o=-8.3!,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.087 -7.611 -7.119 1.00 0.00 N ATOM 49 CA TYR A 7 -8.283 -6.534 -7.672 1.00 0.00 C ATOM 50 C TYR A 7 -7.873 -5.541 -6.583 1.00 0.00 C ATOM 51 O TYR A 7 -6.939 -4.762 -6.768 1.00 0.00 O ATOM 52 CB TYR A 7 -9.176 -5.818 -8.688 1.00 0.00 C ATOM 53 CG TYR A 7 -9.666 -6.716 -9.826 1.00 0.00 C ATOM 54 CD1 TYR A 7 -8.754 -7.353 -10.643 1.00 0.00 C ATOM 55 CD2 TYR A 7 -11.019 -6.887 -10.037 1.00 0.00 C ATOM 56 CE1 TYR A 7 -9.214 -8.198 -11.715 1.00 0.00 C ATOM 57 CE2 TYR A 7 -11.480 -7.731 -11.110 1.00 0.00 C ATOM 58 CZ TYR A 7 -10.555 -8.345 -11.895 1.00 0.00 C ATOM 0 HA TYR A 7 -7.372 -6.928 -8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -10.040 -5.403 -8.169 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.625 -4.978 -9.112 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.695 -7.218 -10.478 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.732 -6.388 -9.398 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.511 -8.703 -12.361 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -12.536 -7.873 -11.287 1.00 0.00 H new ATOM 59 N ARG A 8 -8.590 -5.601 -5.471 1.00 0.00 N ATOM 60 CA ARG A 8 -8.312 -4.718 -4.352 1.00 0.00 C ATOM 61 C ARG A 8 -7.852 -5.526 -3.137 1.00 0.00 C ATOM 62 O ARG A 8 -8.159 -6.712 -3.025 1.00 0.00 O ATOM 63 CB ARG A 8 -9.551 -3.901 -3.974 1.00 0.00 C ATOM 64 CG ARG A 8 -10.758 -4.813 -3.745 1.00 0.00 C ATOM 65 CD ARG A 8 -11.630 -4.290 -2.602 1.00 0.00 C ATOM 66 NE ARG A 8 -12.371 -5.409 -1.978 1.00 0.00 N ATOM 67 CZ ARG A 8 -13.392 -5.251 -1.125 1.00 0.00 C ATOM 0 H ARG A 8 -9.364 -6.248 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.519 -4.035 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.350 -3.324 -3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.775 -3.186 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.349 -4.876 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.417 -5.823 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.008 -3.794 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.330 -3.545 -2.979 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.087 -6.360 -2.212 1.00 0.00 H new ATOM 68 N ILE A 9 -7.125 -4.852 -2.260 1.00 0.00 N ATOM 69 CA ILE A 9 -6.619 -5.494 -1.057 1.00 0.00 C ATOM 70 C ILE A 9 -7.597 -5.251 0.095 1.00 0.00 C ATOM 71 O ILE A 9 -8.699 -5.796 0.105 1.00 0.00 O ATOM 72 CB ILE A 9 -5.192 -5.029 -0.761 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.242 -5.419 -1.896 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.714 -5.556 0.593 1.00 0.00 C ATOM 75 CD1 ILE A 9 -2.783 -5.267 -1.465 1.00 0.00 C ATOM 0 H ILE A 9 -6.873 -3.868 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.555 -6.573 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.192 -3.941 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.431 -6.450 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.435 -4.793 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.697 -5.211 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.372 -5.187 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.732 -6.646 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.129 -5.550 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.591 -4.230 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.588 -5.912 -0.608 1.00 0.00 H new ATOM 76 N LYS A 10 -7.157 -4.430 1.038 1.00 0.00 N ATOM 77 CA LYS A 10 -7.979 -4.108 2.192 1.00 0.00 C ATOM 78 C LYS A 10 -7.630 -5.054 3.342 1.00 0.00 C ATOM 79 O LYS A 10 -7.732 -4.683 4.510 1.00 0.00 O ATOM 80 CB LYS A 10 -9.462 -4.120 1.814 1.00 0.00 C ATOM 81 CG LYS A 10 -10.112 -5.453 2.190 1.00 0.00 C ATOM 82 CD LYS A 10 -10.780 -5.369 3.564 1.00 0.00 C ATOM 83 CE LYS A 10 -11.398 -6.712 3.957 1.00 0.00 C ATOM 84 NZ LYS A 10 -12.389 -6.530 5.041 1.00 0.00 N ATOM 0 H LYS A 10 -6.242 -3.979 1.026 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.770 -3.096 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.977 -3.304 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.570 -3.948 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.852 -5.726 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.358 -6.240 2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.045 -5.070 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.552 -4.600 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.878 -7.166 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.616 -7.397 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.799 -7.452 5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.921 -6.117 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.145 -5.893 4.717 1.00 0.00 H new ATOM 85 N LYS A 11 -7.224 -6.261 2.972 1.00 0.00 N ATOM 86 CA LYS A 11 -6.860 -7.263 3.958 1.00 0.00 C ATOM 87 C LYS A 11 -5.448 -6.976 4.473 1.00 0.00 C ATOM 88 O LYS A 11 -4.525 -6.775 3.685 1.00 0.00 O ATOM 89 CB LYS A 11 -7.028 -8.669 3.380 1.00 0.00 C ATOM 90 CG LYS A 11 -6.695 -9.735 4.425 1.00 0.00 C ATOM 91 CD LYS A 11 -6.373 -11.075 3.760 1.00 0.00 C ATOM 92 CE LYS A 11 -6.832 -12.246 4.632 1.00 0.00 C ATOM 93 NZ LYS A 11 -8.270 -12.520 4.415 1.00 0.00 N ATOM 0 H LYS A 11 -7.140 -6.566 2.002 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.530 -7.213 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.052 -8.803 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.379 -8.789 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.845 -9.409 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.537 -9.856 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.861 -11.129 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.300 -11.148 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.247 -13.135 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.654 -12.017 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.566 -13.317 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.825 -11.676 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.431 -12.759 3.416 1.00 0.00 H new ATOM 94 N ASN A 12 -5.324 -6.964 5.791 1.00 0.00 N ATOM 95 CA ASN A 12 -4.040 -6.703 6.421 1.00 0.00 C ATOM 96 C ASN A 12 -3.017 -7.726 5.923 1.00 0.00 C ATOM 97 O ASN A 12 -1.969 -7.355 5.396 1.00 0.00 O ATOM 98 CB ASN A 12 -4.136 -6.833 7.942 1.00 0.00 C ATOM 99 CG ASN A 12 -3.229 -5.817 8.638 1.00 0.00 C ATOM 100 OD1 ASN A 12 -2.887 -4.778 8.096 1.00 0.00 O ATOM 101 ND2 ASN A 12 -2.858 -6.173 9.864 1.00 0.00 N ATOM 0 H ASN A 12 -6.092 -7.131 6.441 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.738 -5.687 6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.168 -6.682 8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.855 -7.842 8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.251 -5.562 10.411 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.180 -7.057 10.258 1.00 0.00 H new ATOM 102 N ALA A 13 -3.357 -8.994 6.107 1.00 0.00 N ATOM 103 CA ALA A 13 -2.480 -10.073 5.683 1.00 0.00 C ATOM 104 C ALA A 13 -2.085 -9.858 4.221 1.00 0.00 C ATOM 105 O ALA A 13 -0.907 -9.934 3.875 1.00 0.00 O ATOM 106 CB ALA A 13 -3.179 -11.415 5.907 1.00 0.00 C ATOM 0 H ALA A 13 -4.227 -9.298 6.544 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.564 -10.079 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.522 -12.225 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.413 -11.531 6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.101 -11.447 5.326 1.00 0.00 H new ATOM 107 N ASP A 14 -3.092 -9.595 3.401 1.00 0.00 N ATOM 108 CA ASP A 14 -2.864 -9.368 1.984 1.00 0.00 C ATOM 109 C ASP A 14 -1.880 -8.211 1.808 1.00 0.00 C ATOM 110 O ASP A 14 -1.289 -8.050 0.742 1.00 0.00 O ATOM 111 CB ASP A 14 -4.165 -8.995 1.270 1.00 0.00 C ATOM 112 CG ASP A 14 -4.079 -8.966 -0.257 1.00 0.00 C ATOM 113 OD1 ASP A 14 -2.935 -8.995 -0.761 1.00 0.00 O ATOM 114 OD2 ASP A 14 -5.158 -8.916 -0.886 1.00 0.00 O ATOM 0 H ASP A 14 -4.068 -9.534 3.691 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.468 -10.288 1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.939 -9.705 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.485 -8.013 1.620 1.00 0.00 H new ATOM 115 N PHE A 15 -1.733 -7.434 2.872 1.00 0.00 N ATOM 116 CA PHE A 15 -0.831 -6.296 2.849 1.00 0.00 C ATOM 117 C PHE A 15 0.475 -6.617 3.577 1.00 0.00 C ATOM 118 O PHE A 15 1.539 -6.128 3.197 1.00 0.00 O ATOM 119 CB PHE A 15 -1.536 -5.150 3.576 1.00 0.00 C ATOM 120 CG PHE A 15 -2.054 -4.049 2.647 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.290 -3.622 1.607 1.00 0.00 C ATOM 122 CD2 PHE A 15 -3.279 -3.498 2.864 1.00 0.00 C ATOM 123 CE1 PHE A 15 -1.771 -2.600 0.746 1.00 0.00 C ATOM 124 CE2 PHE A 15 -3.759 -2.476 2.002 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.995 -2.049 0.962 1.00 0.00 C ATOM 0 H PHE A 15 -2.224 -7.571 3.755 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.588 -6.036 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.373 -5.555 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.845 -4.710 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.318 -4.060 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.886 -3.837 3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.164 -2.260 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.731 -2.038 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.360 -1.272 0.307 1.00 0.00 H new ATOM 126 N GLN A 16 0.354 -7.439 4.610 1.00 0.00 N ATOM 127 CA GLN A 16 1.512 -7.833 5.394 1.00 0.00 C ATOM 128 C GLN A 16 2.365 -8.835 4.615 1.00 0.00 C ATOM 129 O GLN A 16 3.593 -8.801 4.689 1.00 0.00 O ATOM 130 CB GLN A 16 1.088 -8.407 6.747 1.00 0.00 C ATOM 131 CG GLN A 16 0.938 -9.928 6.673 1.00 0.00 C ATOM 132 CD GLN A 16 2.301 -10.618 6.748 1.00 0.00 C ATOM 133 OE1 GLN A 16 3.344 -9.987 6.796 1.00 0.00 O ATOM 134 NE2 GLN A 16 2.235 -11.946 6.754 1.00 0.00 N ATOM 0 H GLN A 16 -0.529 -7.843 4.922 1.00 0.00 H new ATOM 0 HA GLN A 16 2.115 -6.946 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.827 -8.147 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.144 -7.959 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.306 -10.275 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.438 -10.203 5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.329 -12.412 6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.091 -12.499 6.801 1.00 0.00 H new ATOM 135 N ARG A 17 1.681 -9.704 3.885 1.00 0.00 N ATOM 136 CA ARG A 17 2.361 -10.715 3.093 1.00 0.00 C ATOM 137 C ARG A 17 3.288 -10.053 2.071 1.00 0.00 C ATOM 138 O ARG A 17 4.291 -10.640 1.667 1.00 0.00 O ATOM 139 CB ARG A 17 1.358 -11.607 2.359 1.00 0.00 C ATOM 140 CG ARG A 17 0.508 -10.789 1.384 1.00 0.00 C ATOM 141 CD ARG A 17 0.586 -11.367 -0.030 1.00 0.00 C ATOM 142 NE ARG A 17 0.538 -12.845 0.025 1.00 0.00 N ATOM 143 CZ ARG A 17 -0.546 -13.549 0.374 1.00 0.00 C ATOM 0 H ARG A 17 0.663 -9.729 3.825 1.00 0.00 H new ATOM 0 HA ARG A 17 2.947 -11.332 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.890 -12.388 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.711 -12.105 3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.529 -10.779 1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.851 -9.754 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.241 -10.990 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.507 -11.042 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 17 1.384 -13.360 -0.218 1.00 0.00 H new ATOM 144 N ILE A 18 2.920 -8.841 1.683 1.00 0.00 N ATOM 145 CA ILE A 18 3.706 -8.095 0.716 1.00 0.00 C ATOM 146 C ILE A 18 4.757 -7.262 1.453 1.00 0.00 C ATOM 147 O ILE A 18 5.930 -7.267 1.084 1.00 0.00 O ATOM 148 CB ILE A 18 2.793 -7.268 -0.193 1.00 0.00 C ATOM 149 CG1 ILE A 18 1.456 -7.976 -0.415 1.00 0.00 C ATOM 150 CG2 ILE A 18 3.491 -6.932 -1.512 1.00 0.00 C ATOM 151 CD1 ILE A 18 0.699 -7.361 -1.595 1.00 0.00 C ATOM 0 H ILE A 18 2.088 -8.357 2.021 1.00 0.00 H new ATOM 0 HA ILE A 18 4.243 -8.776 0.056 1.00 0.00 H new ATOM 0 HB ILE A 18 2.578 -6.323 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.628 -9.036 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.849 -7.906 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.821 -6.344 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.395 -6.358 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.756 -7.854 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.248 -7.883 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.507 -6.307 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.298 -7.455 -2.501 1.00 0.00 H new ATOM 152 N TYR A 19 4.298 -6.566 2.484 1.00 0.00 N ATOM 153 CA TYR A 19 5.183 -5.730 3.276 1.00 0.00 C ATOM 154 C TYR A 19 6.197 -6.579 4.045 1.00 0.00 C ATOM 155 O TYR A 19 7.137 -6.049 4.634 1.00 0.00 O ATOM 156 CB TYR A 19 4.288 -4.996 4.276 1.00 0.00 C ATOM 157 CG TYR A 19 3.859 -3.600 3.820 1.00 0.00 C ATOM 158 CD1 TYR A 19 3.299 -3.424 2.570 1.00 0.00 C ATOM 159 CD2 TYR A 19 4.030 -2.517 4.657 1.00 0.00 C ATOM 160 CE1 TYR A 19 2.895 -2.111 2.140 1.00 0.00 C ATOM 161 CE2 TYR A 19 3.627 -1.203 4.227 1.00 0.00 C ATOM 162 CZ TYR A 19 3.079 -1.065 2.990 1.00 0.00 C ATOM 0 H TYR A 19 3.324 -6.565 2.788 1.00 0.00 H new ATOM 0 HA TYR A 19 5.741 -5.047 2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.397 -5.597 4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.816 -4.910 5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.164 -4.272 1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.466 -2.655 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.456 -1.960 1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.757 -0.347 4.872 1.00 0.00 H new ATOM 163 N LYS A 20 5.970 -7.885 4.016 1.00 0.00 N ATOM 164 CA LYS A 20 6.851 -8.813 4.703 1.00 0.00 C ATOM 165 C LYS A 20 8.260 -8.701 4.117 1.00 0.00 C ATOM 166 O LYS A 20 9.117 -8.021 4.678 1.00 0.00 O ATOM 167 CB LYS A 20 6.277 -10.230 4.658 1.00 0.00 C ATOM 168 CG LYS A 20 7.088 -11.180 5.542 1.00 0.00 C ATOM 169 CD LYS A 20 6.480 -12.584 5.541 1.00 0.00 C ATOM 170 CE LYS A 20 7.572 -13.654 5.604 1.00 0.00 C ATOM 171 NZ LYS A 20 7.105 -14.826 6.377 1.00 0.00 N ATOM 0 H LYS A 20 5.188 -8.322 3.527 1.00 0.00 H new ATOM 0 HA LYS A 20 6.924 -8.557 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.239 -10.216 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.278 -10.594 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.117 -11.225 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.121 -10.795 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.808 -12.694 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.880 -12.724 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.846 -13.962 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.469 -13.240 6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.858 -15.543 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.866 -14.530 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.263 -15.230 5.920 1.00 0.00 H new ATOM 172 N LYS A 21 8.455 -9.380 2.996 1.00 0.00 N ATOM 173 CA LYS A 21 9.746 -9.365 2.327 1.00 0.00 C ATOM 174 C LYS A 21 9.538 -9.108 0.834 1.00 0.00 C ATOM 175 O LYS A 21 10.448 -9.314 0.032 1.00 0.00 O ATOM 176 CB LYS A 21 10.519 -10.649 2.629 1.00 0.00 C ATOM 177 CG LYS A 21 11.816 -10.344 3.381 1.00 0.00 C ATOM 178 CD LYS A 21 12.884 -11.399 3.085 1.00 0.00 C ATOM 179 CE LYS A 21 14.193 -11.073 3.807 1.00 0.00 C ATOM 180 NZ LYS A 21 14.303 -11.854 5.060 1.00 0.00 N ATOM 0 H LYS A 21 7.741 -9.944 2.534 1.00 0.00 H new ATOM 0 HA LYS A 21 10.364 -8.552 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.899 -11.320 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.748 -11.168 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.184 -9.359 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.620 -10.311 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.527 -12.380 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.061 -11.451 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.039 -11.296 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.236 -10.007 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.197 -11.621 5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.506 -11.621 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.284 -12.870 4.839 1.00 0.00 H new ATOM 181 N GLY A 22 8.334 -8.663 0.503 1.00 0.00 N ATOM 182 CA GLY A 22 7.996 -8.377 -0.881 1.00 0.00 C ATOM 183 C GLY A 22 9.085 -7.537 -1.549 1.00 0.00 C ATOM 184 O GLY A 22 10.056 -7.145 -0.902 1.00 0.00 O ATOM 0 H GLY A 22 7.581 -8.494 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.866 -9.311 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.045 -7.847 -0.925 1.00 0.00 H new ATOM 185 N HIS A 23 8.889 -7.285 -2.835 1.00 0.00 N ATOM 186 CA HIS A 23 9.843 -6.499 -3.598 1.00 0.00 C ATOM 187 C HIS A 23 9.181 -5.203 -4.068 1.00 0.00 C ATOM 188 O HIS A 23 8.336 -5.222 -4.962 1.00 0.00 O ATOM 189 CB HIS A 23 10.425 -7.320 -4.750 1.00 0.00 C ATOM 190 CG HIS A 23 11.273 -6.517 -5.709 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.629 -6.737 -5.873 1.00 0.00 N ATOM 192 CD2 HIS A 23 10.943 -5.497 -6.551 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.086 -5.881 -6.776 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.039 -5.112 -7.194 1.00 0.00 N ATOM 0 H HIS A 23 8.083 -7.612 -3.368 1.00 0.00 H new ATOM 0 HA HIS A 23 10.685 -6.225 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.028 -8.129 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.607 -7.782 -5.303 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.183 -7.439 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.957 -5.074 -6.674 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.107 -5.805 -7.120 1.00 0.00 H new ATOM 195 N SER A 24 9.589 -4.107 -3.446 1.00 0.00 N ATOM 196 CA SER A 24 9.046 -2.804 -3.789 1.00 0.00 C ATOM 197 C SER A 24 9.957 -2.107 -4.802 1.00 0.00 C ATOM 198 O SER A 24 11.140 -2.427 -4.901 1.00 0.00 O ATOM 199 CB SER A 24 8.873 -1.932 -2.543 1.00 0.00 C ATOM 200 OG SER A 24 10.113 -1.699 -1.880 1.00 0.00 O ATOM 0 H SER A 24 10.290 -4.095 -2.705 1.00 0.00 H new ATOM 0 HA SER A 24 8.062 -2.951 -4.235 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.428 -0.978 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.179 -2.415 -1.855 1.00 0.00 H new ATOM 0 HG SER A 24 9.942 -1.407 -0.960 1.00 0.00 H new ATOM 201 N VAL A 25 9.370 -1.168 -5.529 1.00 0.00 N ATOM 202 CA VAL A 25 10.113 -0.423 -6.531 1.00 0.00 C ATOM 203 C VAL A 25 9.608 1.020 -6.568 1.00 0.00 C ATOM 204 O VAL A 25 8.414 1.258 -6.748 1.00 0.00 O ATOM 205 CB VAL A 25 10.014 -1.127 -7.887 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.689 -2.499 -7.843 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.557 -1.247 -8.336 1.00 0.00 C ATOM 0 H VAL A 25 8.388 -0.906 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 25 11.172 -0.389 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 25 10.542 -0.518 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.604 -2.978 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.742 -2.378 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.202 -3.120 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.514 -1.751 -9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.996 -1.824 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.121 -0.252 -8.426 1.00 0.00 H new ATOM 208 N ALA A 26 10.541 1.945 -6.395 1.00 0.00 N ATOM 209 CA ALA A 26 10.204 3.358 -6.406 1.00 0.00 C ATOM 210 C ALA A 26 10.840 4.020 -7.631 1.00 0.00 C ATOM 211 O ALA A 26 11.983 3.726 -7.975 1.00 0.00 O ATOM 212 CB ALA A 26 10.657 4.002 -5.094 1.00 0.00 C ATOM 0 H ALA A 26 11.530 1.743 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 26 9.125 3.494 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.404 5.062 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.155 3.516 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.736 3.887 -4.986 1.00 0.00 H new ATOM 213 N ASN A 27 10.071 4.900 -8.254 1.00 0.00 N ATOM 214 CA ASN A 27 10.544 5.606 -9.432 1.00 0.00 C ATOM 215 C ASN A 27 11.083 6.977 -9.019 1.00 0.00 C ATOM 216 O ASN A 27 12.265 7.116 -8.710 1.00 0.00 O ATOM 217 CB ASN A 27 9.411 5.825 -10.436 1.00 0.00 C ATOM 218 CG ASN A 27 9.773 6.920 -11.441 1.00 0.00 C ATOM 219 OD1 ASN A 27 10.918 7.320 -11.576 1.00 0.00 O ATOM 220 ND2 ASN A 27 8.738 7.380 -12.137 1.00 0.00 N ATOM 0 H ASN A 27 9.123 5.140 -7.965 1.00 0.00 H new ATOM 0 HA ASN A 27 11.324 5.002 -9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.204 4.895 -10.965 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.499 6.100 -9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.877 8.112 -12.834 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.805 7.001 -11.974 1.00 0.00 H new ATOM 221 N ARG A 28 10.188 7.955 -9.024 1.00 0.00 N ATOM 222 CA ARG A 28 10.558 9.310 -8.654 1.00 0.00 C ATOM 223 C ARG A 28 9.867 9.710 -7.348 1.00 0.00 C ATOM 224 O ARG A 28 10.532 10.034 -6.365 1.00 0.00 O ATOM 225 CB ARG A 28 10.175 10.305 -9.751 1.00 0.00 C ATOM 226 CG ARG A 28 11.405 10.737 -10.553 1.00 0.00 C ATOM 227 CD ARG A 28 11.100 10.766 -12.052 1.00 0.00 C ATOM 228 NE ARG A 28 12.359 10.700 -12.826 1.00 0.00 N ATOM 229 CZ ARG A 28 12.421 10.741 -14.164 1.00 0.00 C ATOM 0 H ARG A 28 9.208 7.835 -9.279 1.00 0.00 H new ATOM 0 HA ARG A 28 11.639 9.334 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.442 9.852 -10.418 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.702 11.180 -9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.729 11.725 -10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.229 10.051 -10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.456 9.927 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.556 11.677 -12.303 1.00 0.00 H new ATOM 0 HE ARG A 28 13.234 10.618 -12.309 1.00 0.00 H new ATOM 230 N GLN A 29 8.544 9.674 -7.380 1.00 0.00 N ATOM 231 CA GLN A 29 7.756 10.029 -6.212 1.00 0.00 C ATOM 232 C GLN A 29 6.659 8.989 -5.976 1.00 0.00 C ATOM 233 O GLN A 29 5.706 9.243 -5.241 1.00 0.00 O ATOM 234 CB GLN A 29 7.162 11.430 -6.357 1.00 0.00 C ATOM 235 CG GLN A 29 8.197 12.411 -6.914 1.00 0.00 C ATOM 236 CD GLN A 29 7.519 13.656 -7.488 1.00 0.00 C ATOM 237 OE1 GLN A 29 7.715 14.768 -7.027 1.00 0.00 O ATOM 238 NE2 GLN A 29 6.712 13.409 -8.516 1.00 0.00 N ATOM 0 H GLN A 29 7.997 9.404 -8.197 1.00 0.00 H new ATOM 0 HA GLN A 29 8.414 10.038 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.296 11.395 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.808 11.781 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.890 12.701 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.785 11.922 -7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.593 12.454 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.212 14.175 -8.968 1.00 0.00 H new ATOM 239 N PHE A 30 6.829 7.840 -6.614 1.00 0.00 N ATOM 240 CA PHE A 30 5.865 6.761 -6.483 1.00 0.00 C ATOM 241 C PHE A 30 6.569 5.416 -6.293 1.00 0.00 C ATOM 242 O PHE A 30 7.572 5.139 -6.949 1.00 0.00 O ATOM 243 CB PHE A 30 5.057 6.723 -7.782 1.00 0.00 C ATOM 244 CG PHE A 30 3.563 6.464 -7.578 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.152 5.401 -6.835 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.646 7.297 -8.139 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.766 5.160 -6.646 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.259 7.056 -7.950 1.00 0.00 C ATOM 249 CZ PHE A 30 0.848 5.994 -7.207 1.00 0.00 C ATOM 0 H PHE A 30 7.620 7.633 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 30 5.230 6.933 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.183 7.672 -8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.465 5.946 -8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.881 4.740 -6.389 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.972 8.141 -8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.440 4.315 -6.057 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.531 7.717 -8.397 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.207 5.812 -7.062 1.00 0.00 H new ATOM 250 N VAL A 31 6.015 4.616 -5.394 1.00 0.00 N ATOM 251 CA VAL A 31 6.578 3.307 -5.111 1.00 0.00 C ATOM 252 C VAL A 31 5.484 2.245 -5.249 1.00 0.00 C ATOM 253 O VAL A 31 4.365 2.436 -4.774 1.00 0.00 O ATOM 254 CB VAL A 31 7.238 3.308 -3.731 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.645 4.725 -3.320 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.321 2.675 -2.683 1.00 0.00 C ATOM 0 H VAL A 31 5.183 4.849 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 31 7.360 3.064 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 31 8.143 2.703 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.112 4.698 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.352 5.125 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.761 5.362 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.815 2.689 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.390 3.240 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.103 1.645 -2.965 1.00 0.00 H new ATOM 257 N VAL A 32 5.845 1.150 -5.901 1.00 0.00 N ATOM 258 CA VAL A 32 4.908 0.059 -6.108 1.00 0.00 C ATOM 259 C VAL A 32 5.457 -1.209 -5.452 1.00 0.00 C ATOM 260 O VAL A 32 6.523 -1.696 -5.827 1.00 0.00 O ATOM 261 CB VAL A 32 4.627 -0.115 -7.602 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.842 1.076 -8.154 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.927 -0.325 -8.383 1.00 0.00 C ATOM 0 H VAL A 32 6.774 0.995 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 32 3.951 0.283 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 32 4.013 -1.007 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.655 0.927 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.892 1.161 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.419 1.990 -8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.700 -0.446 -9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.576 0.540 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.432 -1.219 -8.016 1.00 0.00 H new ATOM 264 N TYR A 33 4.704 -1.710 -4.482 1.00 0.00 N ATOM 265 CA TYR A 33 5.102 -2.912 -3.770 1.00 0.00 C ATOM 266 C TYR A 33 4.378 -4.141 -4.322 1.00 0.00 C ATOM 267 O TYR A 33 3.151 -4.210 -4.288 1.00 0.00 O ATOM 268 CB TYR A 33 4.682 -2.699 -2.315 1.00 0.00 C ATOM 269 CG TYR A 33 5.788 -2.125 -1.427 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.313 -0.877 -1.698 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.259 -2.852 -0.354 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.354 -0.337 -0.862 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.299 -2.312 0.483 1.00 0.00 C ATOM 274 CZ TYR A 33 7.794 -1.080 0.187 1.00 0.00 C ATOM 0 H TYR A 33 3.820 -1.304 -4.173 1.00 0.00 H new ATOM 0 HA TYR A 33 6.173 -3.083 -3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.824 -2.027 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.353 -3.651 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.943 -0.306 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.847 -3.828 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.775 0.637 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.677 -2.872 1.326 1.00 0.00 H new ATOM 275 N THR A 34 5.169 -5.081 -4.820 1.00 0.00 N ATOM 276 CA THR A 34 4.618 -6.304 -5.379 1.00 0.00 C ATOM 277 C THR A 34 5.530 -7.491 -5.066 1.00 0.00 C ATOM 278 O THR A 34 6.657 -7.309 -4.607 1.00 0.00 O ATOM 279 CB THR A 34 4.401 -6.083 -6.878 1.00 0.00 C ATOM 280 OG1 THR A 34 5.688 -6.294 -7.449 1.00 0.00 O ATOM 281 CG2 THR A 34 4.077 -4.626 -7.213 1.00 0.00 C ATOM 0 H THR A 34 6.187 -5.020 -4.848 1.00 0.00 H new ATOM 0 HA THR A 34 3.655 -6.546 -4.929 1.00 0.00 H new ATOM 0 HB THR A 34 3.591 -6.724 -7.227 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.639 -6.172 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.932 -4.523 -8.288 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.166 -4.327 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.901 -3.988 -6.895 1.00 0.00 H new ATOM 282 N CYS A 35 5.010 -8.682 -5.327 1.00 0.00 N ATOM 283 CA CYS A 35 5.764 -9.899 -5.079 1.00 0.00 C ATOM 284 C CYS A 35 4.935 -11.086 -5.574 1.00 0.00 C ATOM 285 O CYS A 35 3.817 -10.910 -6.055 1.00 0.00 O ATOM 286 CB CYS A 35 6.138 -10.041 -3.602 1.00 0.00 C ATOM 287 SG CYS A 35 7.726 -10.938 -3.443 1.00 0.00 S ATOM 0 H CYS A 35 4.075 -8.830 -5.708 1.00 0.00 H new ATOM 0 HA CYS A 35 6.708 -9.863 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.219 -9.056 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.353 -10.577 -3.069 1.00 0.00 H new ATOM 0 HG CYS A 35 7.833 -11.421 -2.241 1.00 0.00 H new ATOM 338 N HIS A 42 -4.608 -13.360 -8.230 1.00 0.00 N ATOM 339 CA HIS A 42 -5.188 -12.057 -8.505 1.00 0.00 C ATOM 340 C HIS A 42 -4.174 -10.963 -8.170 1.00 0.00 C ATOM 341 O HIS A 42 -3.324 -11.144 -7.299 1.00 0.00 O ATOM 342 CB HIS A 42 -6.514 -11.886 -7.760 1.00 0.00 C ATOM 343 CG HIS A 42 -6.582 -12.629 -6.448 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.108 -13.905 -6.335 1.00 0.00 N ATOM 345 CD2 HIS A 42 -6.185 -12.265 -5.195 1.00 0.00 C ATOM 346 CE1 HIS A 42 -7.027 -14.281 -5.068 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.455 -13.264 -4.362 1.00 0.00 N ATOM 0 HA HIS A 42 -5.421 -11.974 -9.567 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.680 -10.825 -7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.326 -12.228 -8.402 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.728 -11.324 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.356 -15.227 -4.664 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.266 -13.270 -3.360 1.00 0.00 H new ATOM 348 N PHE A 43 -4.296 -9.849 -8.878 1.00 0.00 N ATOM 349 CA PHE A 43 -3.401 -8.725 -8.668 1.00 0.00 C ATOM 350 C PHE A 43 -4.072 -7.640 -7.823 1.00 0.00 C ATOM 351 O PHE A 43 -4.320 -6.536 -8.307 1.00 0.00 O ATOM 352 CB PHE A 43 -3.071 -8.151 -10.046 1.00 0.00 C ATOM 353 CG PHE A 43 -4.297 -7.911 -10.930 1.00 0.00 C ATOM 354 CD1 PHE A 43 -4.824 -8.935 -11.653 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.859 -6.674 -10.991 1.00 0.00 C ATOM 356 CE1 PHE A 43 -5.962 -8.713 -12.473 1.00 0.00 C ATOM 357 CE2 PHE A 43 -5.996 -6.452 -11.812 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.524 -7.475 -12.535 1.00 0.00 C ATOM 0 H PHE A 43 -5.003 -9.702 -9.599 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.506 -9.056 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.538 -7.209 -9.918 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.393 -8.833 -10.560 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.377 -9.917 -11.604 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.441 -5.861 -10.416 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.381 -9.526 -13.047 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.442 -5.470 -11.862 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.389 -7.305 -13.159 1.00 0.00 H new ATOM 359 N ARG A 44 -4.347 -7.992 -6.576 1.00 0.00 N ATOM 360 CA ARG A 44 -4.985 -7.061 -5.659 1.00 0.00 C ATOM 361 C ARG A 44 -4.185 -5.760 -5.581 1.00 0.00 C ATOM 362 O ARG A 44 -2.956 -5.785 -5.535 1.00 0.00 O ATOM 363 CB ARG A 44 -5.105 -7.663 -4.258 1.00 0.00 C ATOM 364 CG ARG A 44 -3.737 -8.097 -3.729 1.00 0.00 C ATOM 365 CD ARG A 44 -3.380 -9.502 -4.218 1.00 0.00 C ATOM 366 NE ARG A 44 -2.819 -10.298 -3.104 1.00 0.00 N ATOM 367 CZ ARG A 44 -3.556 -11.027 -2.256 1.00 0.00 C ATOM 0 H ARG A 44 -4.140 -8.908 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.985 -6.854 -6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.546 -6.932 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.778 -8.520 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.975 -7.390 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.742 -8.078 -2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.267 -9.994 -4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.657 -9.440 -5.032 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.807 -10.291 -2.974 1.00 0.00 H new ATOM 368 N LEU A 45 -4.914 -4.653 -5.570 1.00 0.00 N ATOM 369 CA LEU A 45 -4.286 -3.345 -5.499 1.00 0.00 C ATOM 370 C LEU A 45 -4.341 -2.836 -4.056 1.00 0.00 C ATOM 371 O LEU A 45 -5.379 -2.920 -3.403 1.00 0.00 O ATOM 372 CB LEU A 45 -4.923 -2.390 -6.511 1.00 0.00 C ATOM 373 CG LEU A 45 -4.190 -2.242 -7.845 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.178 -2.019 -8.992 1.00 0.00 C ATOM 375 CD2 LEU A 45 -3.136 -1.136 -7.773 1.00 0.00 C ATOM 0 H LEU A 45 -5.933 -4.636 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.234 -3.412 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.939 -2.730 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.002 -1.405 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.664 -3.174 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.631 -1.917 -9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.856 -2.870 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.752 -1.111 -8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.630 -1.052 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.619 -0.189 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.407 -1.378 -7.000 1.00 0.00 H new ATOM 376 N GLY A 46 -3.207 -2.321 -3.601 1.00 0.00 N ATOM 377 CA GLY A 46 -3.113 -1.799 -2.249 1.00 0.00 C ATOM 378 C GLY A 46 -2.840 -0.293 -2.260 1.00 0.00 C ATOM 379 O GLY A 46 -1.696 0.132 -2.416 1.00 0.00 O ATOM 0 H GLY A 46 -2.347 -2.255 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.040 -2.000 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.316 -2.313 -1.712 1.00 0.00 H new ATOM 380 N ILE A 47 -3.909 0.471 -2.093 1.00 0.00 N ATOM 381 CA ILE A 47 -3.799 1.919 -2.081 1.00 0.00 C ATOM 382 C ILE A 47 -3.247 2.374 -0.729 1.00 0.00 C ATOM 383 O ILE A 47 -3.894 2.194 0.302 1.00 0.00 O ATOM 384 CB ILE A 47 -5.140 2.561 -2.445 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.518 2.256 -3.896 1.00 0.00 C ATOM 386 CG2 ILE A 47 -5.124 4.064 -2.161 1.00 0.00 C ATOM 387 CD1 ILE A 47 -4.402 2.678 -4.853 1.00 0.00 C ATOM 0 H ILE A 47 -4.856 0.114 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.094 2.253 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.911 2.122 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.714 1.190 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.439 2.778 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.089 4.495 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.933 4.232 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.339 4.537 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.696 2.450 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.225 3.749 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.489 2.136 -4.609 1.00 0.00 H new ATOM 388 N SER A 48 -2.057 2.954 -0.777 1.00 0.00 N ATOM 389 CA SER A 48 -1.410 3.436 0.432 1.00 0.00 C ATOM 390 C SER A 48 -1.011 4.903 0.262 1.00 0.00 C ATOM 391 O SER A 48 -0.980 5.416 -0.855 1.00 0.00 O ATOM 392 CB SER A 48 -0.184 2.589 0.776 1.00 0.00 C ATOM 393 OG SER A 48 -0.540 1.376 1.435 1.00 0.00 O ATOM 0 H SER A 48 -1.524 3.101 -1.634 1.00 0.00 H new ATOM 0 HA SER A 48 -2.119 3.352 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.365 2.358 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.487 3.165 1.414 1.00 0.00 H new ATOM 0 HG SER A 48 0.270 0.863 1.636 1.00 0.00 H new ATOM 394 N VAL A 49 -0.715 5.536 1.387 1.00 0.00 N ATOM 395 CA VAL A 49 -0.318 6.935 1.377 1.00 0.00 C ATOM 396 C VAL A 49 0.384 7.270 2.694 1.00 0.00 C ATOM 397 O VAL A 49 0.059 6.704 3.737 1.00 0.00 O ATOM 398 CB VAL A 49 -1.535 7.821 1.106 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.280 9.258 1.567 1.00 0.00 C ATOM 400 CG2 VAL A 49 -1.923 7.781 -0.373 1.00 0.00 C ATOM 0 H VAL A 49 -0.742 5.107 2.312 1.00 0.00 H new ATOM 0 HA VAL A 49 0.392 7.126 0.572 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.372 7.427 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.161 9.867 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.074 9.266 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.424 9.666 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.791 8.419 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.089 8.138 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.166 6.757 -0.658 1.00 0.00 H new ATOM 401 N SER A 50 1.334 8.189 2.604 1.00 0.00 N ATOM 402 CA SER A 50 2.086 8.607 3.775 1.00 0.00 C ATOM 403 C SER A 50 1.450 9.859 4.385 1.00 0.00 C ATOM 404 O SER A 50 0.673 10.548 3.727 1.00 0.00 O ATOM 405 CB SER A 50 3.550 8.873 3.425 1.00 0.00 C ATOM 406 OG SER A 50 4.270 9.431 4.521 1.00 0.00 O ATOM 0 H SER A 50 1.600 8.656 1.737 1.00 0.00 H new ATOM 0 HA SER A 50 2.057 7.799 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.024 7.941 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.601 9.553 2.574 1.00 0.00 H new ATOM 0 HG SER A 50 5.097 8.924 4.661 1.00 0.00 H new ATOM 407 N LYS A 51 1.805 10.114 5.635 1.00 0.00 N ATOM 408 CA LYS A 51 1.280 11.270 6.342 1.00 0.00 C ATOM 409 C LYS A 51 2.247 12.445 6.179 1.00 0.00 C ATOM 410 O LYS A 51 1.996 13.536 6.688 1.00 0.00 O ATOM 411 CB LYS A 51 0.980 10.918 7.800 1.00 0.00 C ATOM 412 CG LYS A 51 2.273 10.799 8.611 1.00 0.00 C ATOM 413 CD LYS A 51 2.150 11.533 9.948 1.00 0.00 C ATOM 414 CE LYS A 51 3.406 12.357 10.238 1.00 0.00 C ATOM 415 NZ LYS A 51 3.043 13.678 10.797 1.00 0.00 N ATOM 0 H LYS A 51 2.450 9.540 6.177 1.00 0.00 H new ATOM 0 HA LYS A 51 0.327 11.578 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.340 11.684 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.430 9.978 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.500 9.748 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.104 11.213 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.278 12.187 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.991 10.812 10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.045 11.822 10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.981 12.489 9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.908 14.224 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.452 14.193 10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.514 13.547 11.683 1.00 0.00 H new ATOM 416 N LYS A 52 3.333 12.182 5.465 1.00 0.00 N ATOM 417 CA LYS A 52 4.338 13.203 5.228 1.00 0.00 C ATOM 418 C LYS A 52 4.029 13.922 3.913 1.00 0.00 C ATOM 419 O LYS A 52 4.516 15.026 3.676 1.00 0.00 O ATOM 420 CB LYS A 52 5.742 12.596 5.283 1.00 0.00 C ATOM 421 CG LYS A 52 6.367 12.784 6.666 1.00 0.00 C ATOM 422 CD LYS A 52 7.620 13.659 6.588 1.00 0.00 C ATOM 423 CE LYS A 52 8.246 13.845 7.971 1.00 0.00 C ATOM 424 NZ LYS A 52 8.302 15.280 8.326 1.00 0.00 N ATOM 0 H LYS A 52 3.538 11.276 5.043 1.00 0.00 H new ATOM 0 HA LYS A 52 4.310 13.955 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.692 11.534 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.374 13.063 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.641 13.242 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.623 11.812 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.346 13.202 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.363 14.631 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.664 13.303 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.251 13.422 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.730 15.388 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.877 15.789 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.339 15.673 8.336 1.00 0.00 H new ATOM 425 N LEU A 53 3.223 13.266 3.092 1.00 0.00 N ATOM 426 CA LEU A 53 2.843 13.828 1.808 1.00 0.00 C ATOM 427 C LEU A 53 2.329 15.254 2.012 1.00 0.00 C ATOM 428 O LEU A 53 3.042 16.220 1.743 1.00 0.00 O ATOM 429 CB LEU A 53 1.847 12.911 1.095 1.00 0.00 C ATOM 430 CG LEU A 53 2.453 11.849 0.175 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.589 10.587 0.150 1.00 0.00 C ATOM 432 CD2 LEU A 53 2.690 12.410 -1.229 1.00 0.00 C ATOM 0 H LEU A 53 2.822 12.349 3.291 1.00 0.00 H new ATOM 0 HA LEU A 53 3.709 13.892 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.243 12.408 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.171 13.530 0.506 1.00 0.00 H new ATOM 0 HG LEU A 53 3.426 11.565 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.042 9.849 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.516 10.176 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.592 10.836 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.121 11.635 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.742 12.740 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.376 13.255 -1.172 1.00 0.00 H new ATOM 433 N GLY A 54 1.095 15.342 2.485 1.00 0.00 N ATOM 434 CA GLY A 54 0.477 16.635 2.729 1.00 0.00 C ATOM 435 C GLY A 54 -0.915 16.469 3.343 1.00 0.00 C ATOM 436 O GLY A 54 -1.050 15.960 4.454 1.00 0.00 O ATOM 0 H GLY A 54 0.506 14.539 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.106 17.223 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.402 17.189 1.793 1.00 0.00 H new ATOM 437 N ASN A 55 -1.914 16.909 2.592 1.00 0.00 N ATOM 438 CA ASN A 55 -3.290 16.817 3.048 1.00 0.00 C ATOM 439 C ASN A 55 -3.945 15.579 2.434 1.00 0.00 C ATOM 440 O ASN A 55 -3.276 14.776 1.785 1.00 0.00 O ATOM 441 CB ASN A 55 -4.097 18.042 2.616 1.00 0.00 C ATOM 442 CG ASN A 55 -3.177 19.159 2.120 1.00 0.00 C ATOM 443 OD1 ASN A 55 -2.602 19.912 2.888 1.00 0.00 O ATOM 444 ND2 ASN A 55 -3.069 19.223 0.795 1.00 0.00 N ATOM 0 H ASN A 55 -1.797 17.330 1.670 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.281 16.757 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.794 17.762 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.693 18.403 3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.477 19.934 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.578 18.561 0.209 1.00 0.00 H new ATOM 445 N ALA A 56 -5.245 15.463 2.658 1.00 0.00 N ATOM 446 CA ALA A 56 -5.998 14.335 2.135 1.00 0.00 C ATOM 447 C ALA A 56 -6.316 14.582 0.658 1.00 0.00 C ATOM 448 O ALA A 56 -6.554 13.638 -0.095 1.00 0.00 O ATOM 449 CB ALA A 56 -7.259 14.127 2.976 1.00 0.00 C ATOM 0 H ALA A 56 -5.797 16.132 3.195 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.411 13.419 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.823 13.281 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.978 13.927 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.876 15.025 2.935 1.00 0.00 H new ATOM 450 N VAL A 57 -6.309 15.854 0.289 1.00 0.00 N ATOM 451 CA VAL A 57 -6.595 16.236 -1.084 1.00 0.00 C ATOM 452 C VAL A 57 -5.537 15.629 -2.007 1.00 0.00 C ATOM 453 O VAL A 57 -5.809 15.363 -3.177 1.00 0.00 O ATOM 454 CB VAL A 57 -6.683 17.760 -1.195 1.00 0.00 C ATOM 455 CG1 VAL A 57 -5.293 18.379 -1.355 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.604 18.173 -2.344 1.00 0.00 C ATOM 0 H VAL A 57 -6.110 16.633 0.916 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.563 15.845 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.113 18.140 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.384 19.462 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.680 18.127 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.823 17.990 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.649 19.261 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.216 17.776 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.604 17.777 -2.169 1.00 0.00 H new ATOM 457 N LEU A 58 -4.353 15.430 -1.448 1.00 0.00 N ATOM 458 CA LEU A 58 -3.253 14.860 -2.207 1.00 0.00 C ATOM 459 C LEU A 58 -3.439 13.345 -2.307 1.00 0.00 C ATOM 460 O LEU A 58 -3.185 12.752 -3.354 1.00 0.00 O ATOM 461 CB LEU A 58 -1.911 15.275 -1.600 1.00 0.00 C ATOM 462 CG LEU A 58 -1.792 16.741 -1.176 1.00 0.00 C ATOM 463 CD1 LEU A 58 -0.537 16.967 -0.332 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.840 17.669 -2.392 1.00 0.00 C ATOM 0 H LEU A 58 -4.131 15.653 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.251 15.250 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.719 14.649 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.125 15.062 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.650 16.986 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.476 18.017 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.584 16.347 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.345 16.699 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.754 18.705 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.015 17.432 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.786 17.533 -2.917 1.00 0.00 H new ATOM 465 N ARG A 59 -3.883 12.760 -1.203 1.00 0.00 N ATOM 466 CA ARG A 59 -4.106 11.325 -1.153 1.00 0.00 C ATOM 467 C ARG A 59 -5.341 10.953 -1.976 1.00 0.00 C ATOM 468 O ARG A 59 -5.654 9.773 -2.131 1.00 0.00 O ATOM 469 CB ARG A 59 -4.298 10.848 0.287 1.00 0.00 C ATOM 470 CG ARG A 59 -4.548 9.339 0.336 1.00 0.00 C ATOM 471 CD ARG A 59 -5.996 9.037 0.731 1.00 0.00 C ATOM 472 NE ARG A 59 -6.169 9.212 2.191 1.00 0.00 N ATOM 473 CZ ARG A 59 -7.284 8.888 2.858 1.00 0.00 C ATOM 0 H ARG A 59 -4.094 13.255 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.226 10.836 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.414 11.093 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.139 11.374 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.333 8.899 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.868 8.877 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.674 9.700 0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.255 8.017 0.445 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.391 9.604 2.722 1.00 0.00 H new ATOM 474 N ASN A 60 -6.010 11.979 -2.481 1.00 0.00 N ATOM 475 CA ASN A 60 -7.203 11.773 -3.283 1.00 0.00 C ATOM 476 C ASN A 60 -6.838 11.871 -4.767 1.00 0.00 C ATOM 477 O ASN A 60 -7.545 11.337 -5.620 1.00 0.00 O ATOM 478 CB ASN A 60 -8.258 12.839 -2.986 1.00 0.00 C ATOM 479 CG ASN A 60 -9.505 12.216 -2.356 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.104 11.294 -2.885 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.862 12.768 -1.200 1.00 0.00 N ATOM 0 H ASN A 60 -5.748 12.956 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.606 10.790 -3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.843 13.589 -2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.530 13.353 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.682 12.422 -0.701 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.316 13.538 -0.812 1.00 0.00 H new ATOM 482 N LYS A 61 -5.735 12.557 -5.028 1.00 0.00 N ATOM 483 CA LYS A 61 -5.268 12.733 -6.392 1.00 0.00 C ATOM 484 C LYS A 61 -4.210 11.671 -6.704 1.00 0.00 C ATOM 485 O LYS A 61 -4.038 11.283 -7.858 1.00 0.00 O ATOM 486 CB LYS A 61 -4.786 14.166 -6.614 1.00 0.00 C ATOM 487 CG LYS A 61 -5.388 14.758 -7.890 1.00 0.00 C ATOM 488 CD LYS A 61 -4.893 16.187 -8.120 1.00 0.00 C ATOM 489 CE LYS A 61 -5.567 16.811 -9.343 1.00 0.00 C ATOM 490 NZ LYS A 61 -4.556 17.183 -10.358 1.00 0.00 N ATOM 0 H LYS A 61 -5.151 12.998 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.086 12.586 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.062 14.782 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.698 14.181 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.122 14.136 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.476 14.753 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.099 16.793 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.812 16.183 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.280 16.107 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.132 17.694 -9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.870 18.035 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.648 17.375 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.439 16.401 -11.034 1.00 0.00 H new ATOM 491 N ILE A 62 -3.528 11.235 -5.655 1.00 0.00 N ATOM 492 CA ILE A 62 -2.492 10.228 -5.803 1.00 0.00 C ATOM 493 C ILE A 62 -3.142 8.851 -5.952 1.00 0.00 C ATOM 494 O ILE A 62 -2.586 7.964 -6.597 1.00 0.00 O ATOM 495 CB ILE A 62 -1.492 10.314 -4.648 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.671 11.603 -4.730 1.00 0.00 C ATOM 497 CG2 ILE A 62 -0.603 9.071 -4.598 1.00 0.00 C ATOM 498 CD1 ILE A 62 0.033 11.890 -3.401 1.00 0.00 C ATOM 0 H ILE A 62 -3.673 11.561 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.914 10.408 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.052 10.346 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.068 11.518 -5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.323 12.438 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.098 9.158 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.223 8.186 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.050 8.982 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.609 12.811 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.711 11.999 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.702 11.064 -3.158 1.00 0.00 H new ATOM 499 N LYS A 63 -4.311 8.715 -5.343 1.00 0.00 N ATOM 500 CA LYS A 63 -5.043 7.462 -5.399 1.00 0.00 C ATOM 501 C LYS A 63 -5.875 7.418 -6.681 1.00 0.00 C ATOM 502 O LYS A 63 -5.730 6.501 -7.488 1.00 0.00 O ATOM 503 CB LYS A 63 -5.868 7.265 -4.125 1.00 0.00 C ATOM 504 CG LYS A 63 -7.366 7.261 -4.436 1.00 0.00 C ATOM 505 CD LYS A 63 -8.178 6.814 -3.220 1.00 0.00 C ATOM 506 CE LYS A 63 -7.966 7.764 -2.039 1.00 0.00 C ATOM 507 NZ LYS A 63 -8.566 7.204 -0.808 1.00 0.00 N ATOM 0 H LYS A 63 -4.769 9.453 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.352 6.620 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.589 6.325 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.643 8.061 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.680 8.259 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.565 6.595 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.236 6.779 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.886 5.803 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.900 7.932 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.413 8.733 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.413 7.862 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.587 7.066 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.121 6.290 -0.590 1.00 0.00 H new ATOM 508 N ARG A 64 -6.726 8.422 -6.831 1.00 0.00 N ATOM 509 CA ARG A 64 -7.581 8.510 -8.004 1.00 0.00 C ATOM 510 C ARG A 64 -6.783 8.186 -9.268 1.00 0.00 C ATOM 511 O ARG A 64 -7.248 7.436 -10.125 1.00 0.00 O ATOM 512 CB ARG A 64 -8.191 9.906 -8.137 1.00 0.00 C ATOM 513 CG ARG A 64 -7.173 10.897 -8.706 1.00 0.00 C ATOM 514 CD ARG A 64 -7.756 12.310 -8.761 1.00 0.00 C ATOM 515 NE ARG A 64 -8.707 12.422 -9.890 1.00 0.00 N ATOM 516 CZ ARG A 64 -10.005 12.097 -9.812 1.00 0.00 C ATOM 0 H ARG A 64 -6.842 9.182 -6.160 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.386 7.785 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.066 9.864 -8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.534 10.251 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.274 10.894 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.875 10.583 -9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.263 12.540 -7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.954 13.039 -8.877 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.353 12.768 -10.782 1.00 0.00 H new ATOM 517 N ALA A 65 -5.595 8.767 -9.343 1.00 0.00 N ATOM 518 CA ALA A 65 -4.727 8.549 -10.490 1.00 0.00 C ATOM 519 C ALA A 65 -4.601 7.048 -10.750 1.00 0.00 C ATOM 520 O ALA A 65 -4.513 6.618 -11.899 1.00 0.00 O ATOM 521 CB ALA A 65 -3.372 9.214 -10.236 1.00 0.00 C ATOM 0 H ALA A 65 -5.212 9.388 -8.630 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.151 9.003 -11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.720 9.052 -11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.514 10.284 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.915 8.780 -9.346 1.00 0.00 H new ATOM 522 N ILE A 66 -4.595 6.289 -9.664 1.00 0.00 N ATOM 523 CA ILE A 66 -4.480 4.844 -9.760 1.00 0.00 C ATOM 524 C ILE A 66 -5.821 4.259 -10.210 1.00 0.00 C ATOM 525 O ILE A 66 -5.860 3.355 -11.043 1.00 0.00 O ATOM 526 CB ILE A 66 -3.963 4.258 -8.445 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.512 4.670 -8.194 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.142 2.739 -8.414 1.00 0.00 C ATOM 529 CD1 ILE A 66 -2.146 4.515 -6.716 1.00 0.00 C ATOM 0 H ILE A 66 -4.668 6.648 -8.712 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.743 4.570 -10.515 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.559 4.669 -7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.846 4.059 -8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.366 5.705 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.766 2.348 -7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.200 2.495 -8.513 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.587 2.290 -9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.109 4.815 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.798 5.146 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.270 3.474 -6.418 1.00 0.00 H new ATOM 530 N ARG A 67 -6.887 4.800 -9.638 1.00 0.00 N ATOM 531 CA ARG A 67 -8.226 4.343 -9.969 1.00 0.00 C ATOM 532 C ARG A 67 -8.553 4.672 -11.427 1.00 0.00 C ATOM 533 O ARG A 67 -9.550 4.194 -11.966 1.00 0.00 O ATOM 534 CB ARG A 67 -9.270 4.993 -9.059 1.00 0.00 C ATOM 535 CG ARG A 67 -10.574 4.191 -9.061 1.00 0.00 C ATOM 536 CD ARG A 67 -11.724 5.015 -8.478 1.00 0.00 C ATOM 537 NE ARG A 67 -12.057 4.526 -7.120 1.00 0.00 N ATOM 538 CZ ARG A 67 -12.952 5.110 -6.312 1.00 0.00 C ATOM 0 H ARG A 67 -6.851 5.550 -8.948 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.255 3.263 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.881 5.059 -8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.465 6.012 -9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.818 3.889 -10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.445 3.278 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.444 6.068 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.599 4.943 -9.124 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.576 3.694 -6.779 1.00 0.00 H new ATOM 539 N GLU A 68 -7.696 5.486 -12.024 1.00 0.00 N ATOM 540 CA GLU A 68 -7.881 5.885 -13.408 1.00 0.00 C ATOM 541 C GLU A 68 -6.668 5.476 -14.246 1.00 0.00 C ATOM 542 O GLU A 68 -6.654 5.669 -15.460 1.00 0.00 O ATOM 543 CB GLU A 68 -8.140 7.390 -13.516 1.00 0.00 C ATOM 544 CG GLU A 68 -6.891 8.188 -13.140 1.00 0.00 C ATOM 545 CD GLU A 68 -6.746 9.428 -14.025 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.795 10.036 -14.327 1.00 0.00 O ATOM 547 OE2 GLU A 68 -5.589 9.738 -14.381 1.00 0.00 O ATOM 0 H GLU A 68 -6.870 5.881 -11.574 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.758 5.370 -13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.443 7.639 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.965 7.669 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.948 8.488 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.008 7.558 -13.243 1.00 0.00 H new ATOM 548 N ASN A 69 -5.678 4.919 -13.563 1.00 0.00 N ATOM 549 CA ASN A 69 -4.464 4.482 -14.229 1.00 0.00 C ATOM 550 C ASN A 69 -4.393 2.954 -14.199 1.00 0.00 C ATOM 551 O ASN A 69 -4.028 2.325 -15.192 1.00 0.00 O ATOM 552 CB ASN A 69 -3.221 5.026 -13.521 1.00 0.00 C ATOM 553 CG ASN A 69 -1.942 4.475 -14.156 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.154 3.787 -13.530 1.00 0.00 O ATOM 555 ND2 ASN A 69 -1.782 4.815 -15.432 1.00 0.00 N ATOM 0 H ASN A 69 -5.693 4.761 -12.555 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.488 4.855 -15.253 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.217 6.115 -13.572 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.252 4.756 -12.465 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.960 4.496 -15.946 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.481 5.394 -15.897 1.00 0.00 H new ATOM 556 N PHE A 70 -4.748 2.399 -13.049 1.00 0.00 N ATOM 557 CA PHE A 70 -4.728 0.956 -12.876 1.00 0.00 C ATOM 558 C PHE A 70 -6.046 0.331 -13.341 1.00 0.00 C ATOM 559 O PHE A 70 -6.247 -0.875 -13.204 1.00 0.00 O ATOM 560 CB PHE A 70 -4.549 0.687 -11.382 1.00 0.00 C ATOM 561 CG PHE A 70 -3.263 -0.068 -11.034 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.252 -1.427 -11.036 1.00 0.00 C ATOM 563 CD2 PHE A 70 -2.132 0.621 -10.725 1.00 0.00 C ATOM 564 CE1 PHE A 70 -2.059 -2.128 -10.715 1.00 0.00 C ATOM 565 CE2 PHE A 70 -0.940 -0.079 -10.404 1.00 0.00 C ATOM 566 CZ PHE A 70 -0.928 -1.438 -10.406 1.00 0.00 C ATOM 0 H PHE A 70 -5.051 2.923 -12.228 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.922 0.521 -13.466 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.555 1.638 -10.849 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.403 0.114 -11.022 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.150 -1.974 -11.282 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.141 1.701 -10.724 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.050 -3.208 -10.716 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.042 0.468 -10.158 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.020 -1.970 -10.162 1.00 0.00 H new ATOM 567 N LYS A 71 -6.909 1.180 -13.880 1.00 0.00 N ATOM 568 CA LYS A 71 -8.201 0.726 -14.364 1.00 0.00 C ATOM 569 C LYS A 71 -8.191 0.714 -15.894 1.00 0.00 C ATOM 570 O LYS A 71 -9.203 0.407 -16.523 1.00 0.00 O ATOM 571 CB LYS A 71 -9.326 1.571 -13.763 1.00 0.00 C ATOM 572 CG LYS A 71 -10.326 0.694 -13.006 1.00 0.00 C ATOM 573 CD LYS A 71 -9.921 0.541 -11.539 1.00 0.00 C ATOM 574 CE LYS A 71 -10.777 -0.518 -10.842 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.013 0.089 -10.301 1.00 0.00 N ATOM 0 H LYS A 71 -6.738 2.179 -13.992 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.393 -0.296 -14.037 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.905 2.315 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.841 2.115 -14.555 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.321 1.134 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.382 -0.288 -13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.869 0.263 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.030 1.497 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.032 -1.310 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.208 -0.980 -10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.583 -0.643 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.764 0.828 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.562 0.509 -11.078 1.00 0.00 H new ATOM 576 N VAL A 72 -7.036 1.052 -16.450 1.00 0.00 N ATOM 577 CA VAL A 72 -6.882 1.083 -17.894 1.00 0.00 C ATOM 578 C VAL A 72 -6.095 -0.148 -18.346 1.00 0.00 C ATOM 579 O VAL A 72 -6.542 -0.887 -19.222 1.00 0.00 O ATOM 580 CB VAL A 72 -6.228 2.400 -18.321 1.00 0.00 C ATOM 581 CG1 VAL A 72 -5.231 2.885 -17.266 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.555 2.259 -19.688 1.00 0.00 C ATOM 0 H VAL A 72 -6.199 1.307 -15.926 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.855 1.044 -18.383 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.013 3.151 -18.409 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.781 3.822 -17.594 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.750 3.043 -16.321 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.451 2.136 -17.131 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.098 3.208 -19.968 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.787 1.487 -19.637 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.300 1.981 -20.433 1.00 0.00 H new ATOM 583 N HIS A 73 -4.939 -0.332 -17.727 1.00 0.00 N ATOM 584 CA HIS A 73 -4.086 -1.462 -18.054 1.00 0.00 C ATOM 585 C HIS A 73 -4.525 -2.687 -17.250 1.00 0.00 C ATOM 586 O HIS A 73 -3.832 -3.702 -17.231 1.00 0.00 O ATOM 587 CB HIS A 73 -2.612 -1.110 -17.842 1.00 0.00 C ATOM 588 CG HIS A 73 -2.335 -0.381 -16.549 1.00 0.00 C ATOM 589 ND1 HIS A 73 -2.037 -1.037 -15.367 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.313 0.953 -16.265 1.00 0.00 C ATOM 591 CE1 HIS A 73 -1.847 -0.129 -14.421 1.00 0.00 C ATOM 592 NE2 HIS A 73 -2.019 1.103 -14.980 1.00 0.00 N ATOM 0 H HIS A 73 -4.572 0.283 -17.000 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.192 -1.708 -19.111 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -2.023 -2.027 -17.864 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.273 -0.494 -18.675 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.503 1.752 -16.967 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.600 -0.329 -13.389 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.935 1.994 -14.490 1.00 0.00 H new ATOM 593 N LYS A 74 -5.675 -2.550 -16.605 1.00 0.00 N ATOM 594 CA LYS A 74 -6.215 -3.633 -15.801 1.00 0.00 C ATOM 595 C LYS A 74 -6.636 -4.783 -16.718 1.00 0.00 C ATOM 596 O LYS A 74 -6.994 -5.860 -16.245 1.00 0.00 O ATOM 597 CB LYS A 74 -7.341 -3.121 -14.901 1.00 0.00 C ATOM 598 CG LYS A 74 -7.325 -3.831 -13.545 1.00 0.00 C ATOM 599 CD LYS A 74 -8.715 -3.821 -12.905 1.00 0.00 C ATOM 600 CE LYS A 74 -8.615 -3.874 -11.379 1.00 0.00 C ATOM 601 NZ LYS A 74 -7.785 -2.758 -10.876 1.00 0.00 N ATOM 0 H LYS A 74 -6.247 -1.706 -16.623 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.452 -4.025 -15.128 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.234 -2.046 -14.754 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.303 -3.282 -15.388 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.987 -4.859 -13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.612 -3.341 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.252 -2.922 -13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.292 -4.673 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.612 -3.820 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.182 -4.825 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.005 -2.586 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.779 -3.003 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.987 -1.899 -11.427 1.00 0.00 H new ATOM 602 N SER A 75 -6.578 -4.515 -18.015 1.00 0.00 N ATOM 603 CA SER A 75 -6.948 -5.515 -19.003 1.00 0.00 C ATOM 604 C SER A 75 -5.743 -6.398 -19.329 1.00 0.00 C ATOM 605 O SER A 75 -5.883 -7.609 -19.495 1.00 0.00 O ATOM 606 CB SER A 75 -7.487 -4.858 -20.275 1.00 0.00 C ATOM 607 OG SER A 75 -6.614 -3.841 -20.761 1.00 0.00 O ATOM 0 H SER A 75 -6.281 -3.620 -18.404 1.00 0.00 H new ATOM 0 HA SER A 75 -7.741 -6.135 -18.584 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.624 -5.617 -21.045 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.468 -4.428 -20.073 1.00 0.00 H new ATOM 0 HG SER A 75 -6.992 -3.447 -21.575 1.00 0.00 H new ATOM 608 N HIS A 76 -4.586 -5.759 -19.414 1.00 0.00 N ATOM 609 CA HIS A 76 -3.358 -6.472 -19.719 1.00 0.00 C ATOM 610 C HIS A 76 -2.580 -6.731 -18.427 1.00 0.00 C ATOM 611 O HIS A 76 -1.403 -7.085 -18.467 1.00 0.00 O ATOM 612 CB HIS A 76 -2.535 -5.715 -20.764 1.00 0.00 C ATOM 613 CG HIS A 76 -1.843 -4.485 -20.227 1.00 0.00 C ATOM 614 ND1 HIS A 76 -2.078 -3.216 -20.725 1.00 0.00 N ATOM 615 CD2 HIS A 76 -0.922 -4.344 -19.232 1.00 0.00 C ATOM 616 CE1 HIS A 76 -1.326 -2.356 -20.053 1.00 0.00 C ATOM 617 NE2 HIS A 76 -0.610 -3.057 -19.128 1.00 0.00 N ATOM 0 H HIS A 76 -4.473 -4.755 -19.277 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.596 -7.440 -20.160 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.786 -6.389 -21.179 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.190 -5.422 -21.585 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -2.721 -2.982 -21.481 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -0.515 -5.143 -18.630 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.287 -1.288 -20.210 1.00 0.00 H new ATOM 618 N ILE A 77 -3.271 -6.545 -17.311 1.00 0.00 N ATOM 619 CA ILE A 77 -2.661 -6.755 -16.010 1.00 0.00 C ATOM 620 C ILE A 77 -2.536 -8.257 -15.746 1.00 0.00 C ATOM 621 O ILE A 77 -3.252 -9.057 -16.344 1.00 0.00 O ATOM 622 CB ILE A 77 -3.436 -6.002 -14.927 1.00 0.00 C ATOM 623 CG1 ILE A 77 -2.491 -5.456 -13.855 1.00 0.00 C ATOM 624 CG2 ILE A 77 -4.535 -6.881 -14.328 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.905 -4.106 -14.276 1.00 0.00 C ATOM 0 H ILE A 77 -4.247 -6.251 -17.282 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.652 -6.343 -15.992 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.925 -5.146 -15.391 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.029 -5.345 -12.913 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.684 -6.168 -13.680 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.071 -6.322 -13.561 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.231 -7.179 -15.112 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.088 -7.770 -13.883 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.237 -3.740 -13.496 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.348 -4.225 -15.205 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.713 -3.390 -14.427 1.00 0.00 H new ATOM 626 N LEU A 78 -1.621 -8.592 -14.848 1.00 0.00 N ATOM 627 CA LEU A 78 -1.394 -9.984 -14.496 1.00 0.00 C ATOM 628 C LEU A 78 -1.504 -10.147 -12.979 1.00 0.00 C ATOM 629 O LEU A 78 -1.096 -9.265 -12.225 1.00 0.00 O ATOM 630 CB LEU A 78 -0.062 -10.471 -15.073 1.00 0.00 C ATOM 631 CG LEU A 78 0.953 -9.384 -15.429 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.399 -8.448 -16.506 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.398 -8.620 -14.180 1.00 0.00 C ATOM 0 H LEU A 78 -1.029 -7.925 -14.354 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.160 -10.620 -14.941 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.398 -11.147 -14.352 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.269 -11.054 -15.970 1.00 0.00 H new ATOM 0 HG LEU A 78 1.838 -9.866 -15.845 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.140 -7.684 -16.741 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.172 -9.022 -17.405 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.510 -7.971 -16.141 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.120 -7.853 -14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.532 -8.150 -13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.860 -9.312 -13.475 1.00 0.00 H new ATOM 634 N ALA A 79 -2.055 -11.283 -12.577 1.00 0.00 N ATOM 635 CA ALA A 79 -2.224 -11.573 -11.163 1.00 0.00 C ATOM 636 C ALA A 79 -0.852 -11.593 -10.484 1.00 0.00 C ATOM 637 O ALA A 79 0.092 -12.185 -11.004 1.00 0.00 O ATOM 638 CB ALA A 79 -2.975 -12.895 -10.999 1.00 0.00 C ATOM 0 H ALA A 79 -2.390 -12.013 -13.205 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.820 -10.798 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.102 -13.112 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.953 -12.819 -11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.406 -13.697 -11.468 1.00 0.00 H new ATOM 639 N LYS A 80 -0.787 -10.939 -9.333 1.00 0.00 N ATOM 640 CA LYS A 80 0.452 -10.875 -8.578 1.00 0.00 C ATOM 641 C LYS A 80 0.369 -9.730 -7.567 1.00 0.00 C ATOM 642 O LYS A 80 0.225 -8.569 -7.948 1.00 0.00 O ATOM 643 CB LYS A 80 1.651 -10.775 -9.524 1.00 0.00 C ATOM 644 CG LYS A 80 1.389 -9.756 -10.635 1.00 0.00 C ATOM 645 CD LYS A 80 2.701 -9.175 -11.167 1.00 0.00 C ATOM 646 CE LYS A 80 3.536 -8.578 -10.032 1.00 0.00 C ATOM 647 NZ LYS A 80 4.733 -9.411 -9.777 1.00 0.00 N ATOM 0 H LYS A 80 -1.573 -10.449 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 80 0.600 -11.793 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.539 -10.486 -8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.856 -11.752 -9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.842 -10.232 -11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.759 -8.952 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.271 -9.956 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.488 -8.406 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.840 -7.564 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.933 -8.509 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.079 -9.235 -8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.485 -10.416 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.477 -9.168 -10.461 1.00 0.00 H new ATOM 648 N ASP A 81 0.465 -10.096 -6.297 1.00 0.00 N ATOM 649 CA ASP A 81 0.403 -9.114 -5.229 1.00 0.00 C ATOM 650 C ASP A 81 1.041 -7.807 -5.704 1.00 0.00 C ATOM 651 O ASP A 81 2.252 -7.742 -5.910 1.00 0.00 O ATOM 652 CB ASP A 81 1.170 -9.593 -3.994 1.00 0.00 C ATOM 653 CG ASP A 81 1.962 -10.889 -4.188 1.00 0.00 C ATOM 654 OD1 ASP A 81 1.381 -11.825 -4.779 1.00 0.00 O ATOM 655 OD2 ASP A 81 3.129 -10.914 -3.741 1.00 0.00 O ATOM 0 H ASP A 81 0.585 -11.059 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.645 -8.967 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.859 -8.807 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.462 -9.736 -3.178 1.00 0.00 H new ATOM 656 N ILE A 82 0.197 -6.799 -5.866 1.00 0.00 N ATOM 657 CA ILE A 82 0.664 -5.497 -6.314 1.00 0.00 C ATOM 658 C ILE A 82 0.180 -4.424 -5.337 1.00 0.00 C ATOM 659 O ILE A 82 -0.863 -4.579 -4.704 1.00 0.00 O ATOM 660 CB ILE A 82 0.241 -5.246 -7.762 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.270 -3.752 -8.091 1.00 0.00 C ATOM 662 CG2 ILE A 82 -1.126 -5.870 -8.050 1.00 0.00 C ATOM 663 CD1 ILE A 82 -1.057 -3.084 -7.728 1.00 0.00 C ATOM 0 H ILE A 82 -0.807 -6.857 -5.695 1.00 0.00 H new ATOM 0 HA ILE A 82 1.753 -5.461 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 82 0.962 -5.734 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.083 -3.272 -7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.472 -3.614 -9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.403 -5.677 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.078 -6.946 -7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.873 -5.432 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.009 -2.023 -7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.865 -3.550 -8.292 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.244 -3.203 -6.661 1.00 0.00 H new ATOM 664 N ILE A 83 0.962 -3.358 -5.246 1.00 0.00 N ATOM 665 CA ILE A 83 0.626 -2.258 -4.357 1.00 0.00 C ATOM 666 C ILE A 83 1.282 -0.974 -4.870 1.00 0.00 C ATOM 667 O ILE A 83 2.478 -0.956 -5.156 1.00 0.00 O ATOM 668 CB ILE A 83 0.998 -2.603 -2.913 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.195 -3.805 -2.412 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.838 -1.386 -1.999 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.446 -4.050 -0.923 1.00 0.00 C ATOM 0 H ILE A 83 1.826 -3.233 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.451 -2.087 -4.353 1.00 0.00 H new ATOM 0 HB ILE A 83 2.050 -2.886 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.868 -3.633 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.469 -4.693 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.109 -1.659 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.489 -0.583 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.198 -1.048 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.137 -4.910 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.506 -4.246 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.148 -3.169 -0.354 1.00 0.00 H new ATOM 672 N VAL A 84 0.469 0.067 -4.972 1.00 0.00 N ATOM 673 CA VAL A 84 0.955 1.352 -5.446 1.00 0.00 C ATOM 674 C VAL A 84 0.828 2.386 -4.326 1.00 0.00 C ATOM 675 O VAL A 84 -0.278 2.792 -3.973 1.00 0.00 O ATOM 676 CB VAL A 84 0.208 1.756 -6.720 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.604 0.859 -7.894 1.00 0.00 C ATOM 678 CG2 VAL A 84 -1.305 1.734 -6.498 1.00 0.00 C ATOM 0 H VAL A 84 -0.523 0.047 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 84 2.011 1.287 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 84 0.495 2.778 -6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.060 1.167 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.675 0.947 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.360 -0.177 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.812 2.025 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.617 0.729 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.566 2.433 -5.703 1.00 0.00 H new ATOM 679 N ILE A 85 1.977 2.781 -3.797 1.00 0.00 N ATOM 680 CA ILE A 85 2.008 3.760 -2.723 1.00 0.00 C ATOM 681 C ILE A 85 2.678 5.040 -3.225 1.00 0.00 C ATOM 682 O ILE A 85 3.417 5.014 -4.208 1.00 0.00 O ATOM 683 CB ILE A 85 2.670 3.168 -1.477 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.430 1.659 -1.394 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.206 3.893 -0.213 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.574 0.884 -2.050 1.00 0.00 C ATOM 0 H ILE A 85 2.893 2.441 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 85 0.995 4.027 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 85 3.747 3.319 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.335 1.359 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.489 1.409 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.691 3.453 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.470 4.948 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.125 3.796 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.378 -0.186 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.651 1.168 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.510 1.117 -1.542 1.00 0.00 H new ATOM 687 N ALA A 86 2.397 6.131 -2.527 1.00 0.00 N ATOM 688 CA ALA A 86 2.963 7.419 -2.890 1.00 0.00 C ATOM 689 C ALA A 86 4.257 7.641 -2.105 1.00 0.00 C ATOM 690 O ALA A 86 4.266 7.547 -0.879 1.00 0.00 O ATOM 691 CB ALA A 86 1.930 8.519 -2.638 1.00 0.00 C ATOM 0 H ALA A 86 1.784 6.149 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 86 3.213 7.445 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.354 9.486 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.042 8.329 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.657 8.527 -1.583 1.00 0.00 H new ATOM 692 N ARG A 87 5.317 7.933 -2.844 1.00 0.00 N ATOM 693 CA ARG A 87 6.614 8.169 -2.231 1.00 0.00 C ATOM 694 C ARG A 87 6.460 9.037 -0.981 1.00 0.00 C ATOM 695 O ARG A 87 6.345 8.518 0.128 1.00 0.00 O ATOM 696 CB ARG A 87 7.566 8.861 -3.209 1.00 0.00 C ATOM 697 CG ARG A 87 8.871 9.258 -2.516 1.00 0.00 C ATOM 698 CD ARG A 87 9.803 8.053 -2.371 1.00 0.00 C ATOM 699 NE ARG A 87 10.814 8.317 -1.323 1.00 0.00 N ATOM 700 CZ ARG A 87 11.818 9.194 -1.453 1.00 0.00 C ATOM 0 H ARG A 87 5.305 8.012 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 87 7.033 7.201 -1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.782 8.195 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.086 9.747 -3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.368 10.040 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.653 9.674 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.225 7.165 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.297 7.849 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 87 10.742 7.799 -0.447 1.00 0.00 H new ATOM 701 N GLN A 88 6.462 10.344 -1.201 1.00 0.00 N ATOM 702 CA GLN A 88 6.323 11.288 -0.106 1.00 0.00 C ATOM 703 C GLN A 88 6.177 12.712 -0.647 1.00 0.00 C ATOM 704 O GLN A 88 5.193 13.392 -0.356 1.00 0.00 O ATOM 705 CB GLN A 88 7.507 11.187 0.857 1.00 0.00 C ATOM 706 CG GLN A 88 7.070 10.608 2.205 1.00 0.00 C ATOM 707 CD GLN A 88 8.202 9.804 2.849 1.00 0.00 C ATOM 708 OE1 GLN A 88 9.266 9.620 2.283 1.00 0.00 O ATOM 709 NE2 GLN A 88 7.913 9.338 4.061 1.00 0.00 N ATOM 0 H GLN A 88 6.558 10.771 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 88 5.420 11.038 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.282 10.557 0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.945 12.174 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.768 11.416 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.199 9.968 2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.002 9.529 4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.603 8.789 4.574 1.00 0.00 H new ATOM 710 N PRO A 89 7.194 13.130 -1.446 1.00 0.00 N ATOM 711 CA PRO A 89 7.188 14.461 -2.030 1.00 0.00 C ATOM 712 C PRO A 89 6.196 14.544 -3.193 1.00 0.00 C ATOM 713 O PRO A 89 6.123 15.562 -3.880 1.00 0.00 O ATOM 714 CB PRO A 89 8.625 14.709 -2.458 1.00 0.00 C ATOM 715 CG PRO A 89 9.284 13.340 -2.522 1.00 0.00 C ATOM 716 CD PRO A 89 8.374 12.352 -1.813 1.00 0.00 C ATOM 0 HA PRO A 89 6.857 15.227 -1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.663 15.206 -3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.138 15.356 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.440 13.040 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.264 13.366 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.111 11.518 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.858 11.929 -0.933 1.00 0.00 H new ATOM 717 N ALA A 90 5.457 13.460 -3.377 1.00 0.00 N ATOM 718 CA ALA A 90 4.472 13.398 -4.444 1.00 0.00 C ATOM 719 C ALA A 90 3.127 13.907 -3.921 1.00 0.00 C ATOM 720 O ALA A 90 2.079 13.585 -4.478 1.00 0.00 O ATOM 721 CB ALA A 90 4.386 11.966 -4.977 1.00 0.00 C ATOM 0 H ALA A 90 5.520 12.618 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 90 4.766 14.038 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.647 11.919 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.359 11.662 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.090 11.295 -4.171 1.00 0.00 H new ATOM 722 N LYS A 91 3.202 14.694 -2.858 1.00 0.00 N ATOM 723 CA LYS A 91 2.003 15.251 -2.253 1.00 0.00 C ATOM 724 C LYS A 91 1.458 16.367 -3.148 1.00 0.00 C ATOM 725 O LYS A 91 0.245 16.515 -3.291 1.00 0.00 O ATOM 726 CB LYS A 91 2.284 15.696 -0.817 1.00 0.00 C ATOM 727 CG LYS A 91 2.733 17.158 -0.774 1.00 0.00 C ATOM 728 CD LYS A 91 4.240 17.276 -1.003 1.00 0.00 C ATOM 729 CE LYS A 91 4.812 18.493 -0.274 1.00 0.00 C ATOM 730 NZ LYS A 91 6.249 18.661 -0.593 1.00 0.00 N ATOM 0 H LYS A 91 4.074 14.959 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 91 1.225 14.491 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.387 15.569 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.056 15.062 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.200 17.728 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.473 17.594 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.737 16.371 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.444 17.358 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.262 19.389 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.684 18.373 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.621 19.492 -0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.772 17.813 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.364 18.797 -1.618 1.00 0.00 H new ATOM 731 N ASP A 92 2.380 17.122 -3.725 1.00 0.00 N ATOM 732 CA ASP A 92 2.008 18.220 -4.602 1.00 0.00 C ATOM 733 C ASP A 92 2.126 17.766 -6.059 1.00 0.00 C ATOM 734 O ASP A 92 2.650 18.495 -6.899 1.00 0.00 O ATOM 735 CB ASP A 92 2.933 19.421 -4.404 1.00 0.00 C ATOM 736 CG ASP A 92 2.545 20.355 -3.256 1.00 0.00 C ATOM 737 OD1 ASP A 92 1.481 20.998 -3.383 1.00 0.00 O ATOM 738 OD2 ASP A 92 3.321 20.405 -2.278 1.00 0.00 O ATOM 0 H ASP A 92 3.385 16.996 -3.603 1.00 0.00 H new ATOM 0 HA ASP A 92 0.985 18.510 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.945 19.056 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.958 19.998 -5.329 1.00 0.00 H new ATOM 739 N MET A 93 1.628 16.565 -6.313 1.00 0.00 N ATOM 740 CA MET A 93 1.670 16.005 -7.653 1.00 0.00 C ATOM 741 C MET A 93 0.356 16.257 -8.394 1.00 0.00 C ATOM 742 O MET A 93 -0.428 17.120 -8.002 1.00 0.00 O ATOM 743 CB MET A 93 1.930 14.500 -7.571 1.00 0.00 C ATOM 744 CG MET A 93 3.258 14.135 -8.236 1.00 0.00 C ATOM 745 SD MET A 93 3.374 12.365 -8.438 1.00 0.00 S ATOM 746 CE MET A 93 2.214 11.835 -7.188 1.00 0.00 C ATOM 0 H MET A 93 1.193 15.964 -5.613 1.00 0.00 H new ATOM 0 HA MET A 93 2.475 16.491 -8.204 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.944 14.186 -6.527 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.116 13.960 -8.055 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.335 14.626 -9.206 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.089 14.495 -7.629 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.292 10.756 -7.054 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.440 12.335 -6.246 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.201 12.090 -7.500 1.00 0.00 H new ATOM 747 N THR A 94 0.155 15.488 -9.454 1.00 0.00 N ATOM 748 CA THR A 94 -1.051 15.618 -10.255 1.00 0.00 C ATOM 749 C THR A 94 -1.386 14.287 -10.932 1.00 0.00 C ATOM 750 O THR A 94 -0.492 13.512 -11.264 1.00 0.00 O ATOM 751 CB THR A 94 -0.843 16.767 -11.242 1.00 0.00 C ATOM 752 OG1 THR A 94 0.416 16.482 -11.846 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.625 18.109 -10.542 1.00 0.00 C ATOM 0 H THR A 94 0.807 14.773 -9.777 1.00 0.00 H new ATOM 0 HA THR A 94 -1.914 15.858 -9.634 1.00 0.00 H new ATOM 0 HB THR A 94 -1.707 16.839 -11.902 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.629 17.178 -12.502 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.483 18.890 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.496 18.346 -9.931 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.259 18.049 -9.907 1.00 0.00 H new ATOM 754 N THR A 95 -2.680 14.064 -11.118 1.00 0.00 N ATOM 755 CA THR A 95 -3.145 12.840 -11.750 1.00 0.00 C ATOM 756 C THR A 95 -2.301 12.525 -12.986 1.00 0.00 C ATOM 757 O THR A 95 -2.226 11.375 -13.415 1.00 0.00 O ATOM 758 CB THR A 95 -4.634 13.003 -12.056 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.281 12.629 -10.843 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.137 11.982 -13.077 1.00 0.00 C ATOM 0 H THR A 95 -3.420 14.710 -10.842 1.00 0.00 H new ATOM 0 HA THR A 95 -3.027 11.982 -11.088 1.00 0.00 H new ATOM 0 HB THR A 95 -4.819 14.010 -12.429 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.252 12.707 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.200 12.142 -13.258 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.588 12.101 -14.011 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.982 10.975 -12.691 1.00 0.00 H new ATOM 761 N LEU A 96 -1.686 13.568 -13.525 1.00 0.00 N ATOM 762 CA LEU A 96 -0.850 13.417 -14.705 1.00 0.00 C ATOM 763 C LEU A 96 0.500 12.825 -14.295 1.00 0.00 C ATOM 764 O LEU A 96 0.984 11.884 -14.921 1.00 0.00 O ATOM 765 CB LEU A 96 -0.737 14.745 -15.455 1.00 0.00 C ATOM 766 CG LEU A 96 -0.201 14.664 -16.886 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.317 14.852 -16.913 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.629 13.359 -17.559 1.00 0.00 C ATOM 0 H LEU A 96 -1.750 14.521 -13.167 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.305 12.719 -15.408 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.723 15.209 -15.483 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.089 15.409 -14.883 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.637 15.480 -17.461 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.673 14.790 -17.941 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.570 15.828 -16.499 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.791 14.072 -16.317 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.235 13.327 -18.575 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.240 12.513 -16.992 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.717 13.306 -17.590 1.00 0.00 H new ATOM 769 N GLN A 97 1.068 13.402 -13.247 1.00 0.00 N ATOM 770 CA GLN A 97 2.354 12.943 -12.746 1.00 0.00 C ATOM 771 C GLN A 97 2.298 11.445 -12.436 1.00 0.00 C ATOM 772 O GLN A 97 3.155 10.683 -12.885 1.00 0.00 O ATOM 773 CB GLN A 97 2.778 13.742 -11.513 1.00 0.00 C ATOM 774 CG GLN A 97 3.021 15.211 -11.868 1.00 0.00 C ATOM 775 CD GLN A 97 4.493 15.584 -11.680 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.865 16.314 -10.777 1.00 0.00 O ATOM 777 NE2 GLN A 97 5.307 15.043 -12.582 1.00 0.00 N ATOM 0 H GLN A 97 0.663 14.183 -12.731 1.00 0.00 H new ATOM 0 HA GLN A 97 3.104 13.107 -13.520 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.006 13.672 -10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.686 13.311 -11.091 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.725 15.393 -12.901 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.398 15.848 -11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.930 14.440 -13.313 1.00 0.00 H new ATOM 0 HE22 GLN A 97 6.309 15.231 -12.543 1.00 0.00 H new ATOM 778 N ILE A 98 1.284 11.068 -11.672 1.00 0.00 N ATOM 779 CA ILE A 98 1.107 9.675 -11.298 1.00 0.00 C ATOM 780 C ILE A 98 1.236 8.797 -12.544 1.00 0.00 C ATOM 781 O ILE A 98 1.793 7.702 -12.480 1.00 0.00 O ATOM 782 CB ILE A 98 -0.212 9.486 -10.546 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.138 10.099 -9.146 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.614 8.010 -10.505 1.00 0.00 C ATOM 785 CD1 ILE A 98 -0.654 11.540 -9.150 1.00 0.00 C ATOM 0 H ILE A 98 0.576 11.703 -11.302 1.00 0.00 H new ATOM 0 HA ILE A 98 1.889 9.364 -10.606 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.993 10.017 -11.089 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.727 9.500 -8.451 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.892 10.079 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.555 7.904 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.736 7.638 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.162 7.436 -9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.590 11.952 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.048 12.142 -9.827 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.692 11.554 -9.483 1.00 0.00 H new ATOM 786 N GLN A 99 0.712 9.309 -13.648 1.00 0.00 N ATOM 787 CA GLN A 99 0.762 8.585 -14.906 1.00 0.00 C ATOM 788 C GLN A 99 2.196 8.545 -15.439 1.00 0.00 C ATOM 789 O GLN A 99 2.620 7.544 -16.014 1.00 0.00 O ATOM 790 CB GLN A 99 -0.187 9.204 -15.933 1.00 0.00 C ATOM 791 CG GLN A 99 -1.487 9.665 -15.269 1.00 0.00 C ATOM 792 CD GLN A 99 -2.697 8.953 -15.879 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.080 9.187 -17.013 1.00 0.00 O ATOM 794 NE2 GLN A 99 -3.273 8.074 -15.064 1.00 0.00 N ATOM 0 H GLN A 99 0.250 10.217 -13.697 1.00 0.00 H new ATOM 0 HA GLN A 99 0.433 7.561 -14.727 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.298 10.051 -16.418 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.411 8.476 -16.712 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.444 9.464 -14.199 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.597 10.743 -15.387 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.900 7.928 -14.126 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.088 7.546 -15.377 1.00 0.00 H new ATOM 795 N ASN A 100 2.902 9.646 -15.230 1.00 0.00 N ATOM 796 CA ASN A 100 4.279 9.750 -15.682 1.00 0.00 C ATOM 797 C ASN A 100 5.170 8.876 -14.797 1.00 0.00 C ATOM 798 O ASN A 100 6.316 8.600 -15.144 1.00 0.00 O ATOM 799 CB ASN A 100 4.784 11.191 -15.584 1.00 0.00 C ATOM 800 CG ASN A 100 4.642 11.914 -16.924 1.00 0.00 C ATOM 801 OD1 ASN A 100 5.039 11.424 -17.969 1.00 0.00 O ATOM 802 ND2 ASN A 100 4.054 13.104 -16.838 1.00 0.00 N ATOM 0 H ASN A 100 2.546 10.475 -14.753 1.00 0.00 H new ATOM 0 HA ASN A 100 4.317 9.424 -16.721 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.223 11.725 -14.817 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.829 11.194 -15.274 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.912 13.665 -17.678 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.745 13.456 -15.932 1.00 0.00 H new ATOM 803 N SER A 101 4.607 8.465 -13.670 1.00 0.00 N ATOM 804 CA SER A 101 5.336 7.627 -12.732 1.00 0.00 C ATOM 805 C SER A 101 4.900 6.168 -12.884 1.00 0.00 C ATOM 806 O SER A 101 5.738 5.277 -13.003 1.00 0.00 O ATOM 807 CB SER A 101 5.120 8.097 -11.292 1.00 0.00 C ATOM 808 OG SER A 101 5.706 9.374 -11.053 1.00 0.00 O ATOM 0 H SER A 101 3.655 8.696 -13.385 1.00 0.00 H new ATOM 0 HA SER A 101 6.399 7.707 -12.957 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.051 8.144 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.548 7.367 -10.605 1.00 0.00 H new ATOM 0 HG SER A 101 5.545 9.639 -10.123 1.00 0.00 H new ATOM 809 N LEU A 102 3.591 5.972 -12.878 1.00 0.00 N ATOM 810 CA LEU A 102 3.033 4.637 -13.014 1.00 0.00 C ATOM 811 C LEU A 102 3.608 3.975 -14.268 1.00 0.00 C ATOM 812 O LEU A 102 3.711 2.752 -14.337 1.00 0.00 O ATOM 813 CB LEU A 102 1.504 4.689 -12.991 1.00 0.00 C ATOM 814 CG LEU A 102 0.838 4.245 -11.688 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.416 5.074 -11.404 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.540 2.745 -11.707 1.00 0.00 C ATOM 0 H LEU A 102 2.899 6.715 -12.781 1.00 0.00 H new ATOM 0 HA LEU A 102 3.319 4.016 -12.165 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.192 5.711 -13.206 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.127 4.064 -13.800 1.00 0.00 H new ATOM 0 HG LEU A 102 1.536 4.424 -10.870 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.871 4.738 -10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.145 6.126 -11.317 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.127 4.949 -12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.067 2.456 -10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.130 2.518 -12.536 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.470 2.191 -11.830 1.00 0.00 H new ATOM 817 N GLU A 103 3.965 4.813 -15.230 1.00 0.00 N ATOM 818 CA GLU A 103 4.526 4.326 -16.479 1.00 0.00 C ATOM 819 C GLU A 103 5.974 3.877 -16.270 1.00 0.00 C ATOM 820 O GLU A 103 6.629 3.428 -17.209 1.00 0.00 O ATOM 821 CB GLU A 103 4.434 5.389 -17.574 1.00 0.00 C ATOM 822 CG GLU A 103 3.327 5.052 -18.575 1.00 0.00 C ATOM 823 CD GLU A 103 3.913 4.706 -19.945 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.178 5.662 -20.705 1.00 0.00 O ATOM 825 OE2 GLU A 103 4.081 3.494 -20.201 1.00 0.00 O ATOM 0 H GLU A 103 3.877 5.827 -15.170 1.00 0.00 H new ATOM 0 HA GLU A 103 3.942 3.465 -16.806 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.239 6.363 -17.125 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.389 5.464 -18.094 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.740 4.212 -18.204 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.647 5.899 -18.670 1.00 0.00 H new ATOM 826 N HIS A 104 6.430 4.016 -15.035 1.00 0.00 N ATOM 827 CA HIS A 104 7.789 3.631 -14.691 1.00 0.00 C ATOM 828 C HIS A 104 7.777 2.793 -13.410 1.00 0.00 C ATOM 829 O HIS A 104 8.013 1.587 -13.451 1.00 0.00 O ATOM 830 CB HIS A 104 8.693 4.861 -14.587 1.00 0.00 C ATOM 831 CG HIS A 104 9.954 4.630 -13.789 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.838 5.647 -13.474 1.00 0.00 N ATOM 833 CD2 HIS A 104 10.468 3.491 -13.243 1.00 0.00 C ATOM 834 CE1 HIS A 104 11.837 5.131 -12.773 1.00 0.00 C ATOM 835 NE2 HIS A 104 11.605 3.794 -12.631 1.00 0.00 N ATOM 0 H HIS A 104 5.883 4.390 -14.259 1.00 0.00 H new ATOM 0 HA HIS A 104 8.207 3.012 -15.485 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.965 5.185 -15.591 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.130 5.675 -14.131 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.738 6.627 -13.737 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.024 2.508 -13.299 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.686 5.673 -12.383 1.00 0.00 H new ATOM 836 N VAL A 105 7.501 3.467 -12.304 1.00 0.00 N ATOM 837 CA VAL A 105 7.456 2.800 -11.013 1.00 0.00 C ATOM 838 C VAL A 105 6.801 1.427 -11.177 1.00 0.00 C ATOM 839 O VAL A 105 7.361 0.415 -10.761 1.00 0.00 O ATOM 840 CB VAL A 105 6.739 3.686 -9.991 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.237 3.747 -10.275 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.010 3.206 -8.565 1.00 0.00 C ATOM 0 H VAL A 105 7.306 4.468 -12.274 1.00 0.00 H new ATOM 0 HA VAL A 105 8.464 2.637 -10.631 1.00 0.00 H new ATOM 0 HB VAL A 105 7.137 4.696 -10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.752 4.383 -9.534 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.071 4.159 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.816 2.743 -10.223 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.489 3.852 -7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.653 2.182 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.081 3.241 -8.367 1.00 0.00 H new ATOM 843 N LEU A 106 5.622 1.437 -11.782 1.00 0.00 N ATOM 844 CA LEU A 106 4.885 0.206 -12.005 1.00 0.00 C ATOM 845 C LEU A 106 5.673 -0.689 -12.963 1.00 0.00 C ATOM 846 O LEU A 106 5.781 -1.895 -12.746 1.00 0.00 O ATOM 847 CB LEU A 106 3.462 0.510 -12.479 1.00 0.00 C ATOM 848 CG LEU A 106 3.125 0.083 -13.909 1.00 0.00 C ATOM 849 CD1 LEU A 106 3.328 -1.421 -14.094 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.710 0.523 -14.294 1.00 0.00 C ATOM 0 H LEU A 106 5.159 2.279 -12.125 1.00 0.00 H new ATOM 0 HA LEU A 106 4.774 -0.345 -11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.762 0.021 -11.801 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.293 1.583 -12.392 1.00 0.00 H new ATOM 0 HG LEU A 106 3.814 0.586 -14.587 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.081 -1.698 -15.119 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.368 -1.676 -13.889 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.680 -1.963 -13.406 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.496 0.207 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.990 0.067 -13.615 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.636 1.608 -14.227 1.00 0.00 H new ATOM 851 N LYS A 107 6.203 -0.064 -14.005 1.00 0.00 N ATOM 852 CA LYS A 107 6.979 -0.789 -14.997 1.00 0.00 C ATOM 853 C LYS A 107 8.012 -1.668 -14.289 1.00 0.00 C ATOM 854 O LYS A 107 8.433 -2.691 -14.826 1.00 0.00 O ATOM 855 CB LYS A 107 7.588 0.180 -16.013 1.00 0.00 C ATOM 856 CG LYS A 107 8.743 -0.476 -16.772 1.00 0.00 C ATOM 857 CD LYS A 107 8.726 -0.078 -18.249 1.00 0.00 C ATOM 858 CE LYS A 107 9.811 -0.821 -19.030 1.00 0.00 C ATOM 859 NZ LYS A 107 10.383 0.052 -20.080 1.00 0.00 N ATOM 0 H LYS A 107 6.110 0.936 -14.183 1.00 0.00 H new ATOM 0 HA LYS A 107 6.335 -1.455 -15.572 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.822 0.503 -16.718 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.946 1.073 -15.500 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.692 -0.181 -16.323 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.672 -1.560 -16.683 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.749 -0.299 -18.678 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.878 0.997 -18.341 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.599 -1.146 -18.350 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.391 -1.719 -19.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.118 -0.467 -20.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.632 0.342 -20.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.802 0.896 -19.640 1.00 0.00 H new ATOM 860 N ILE A 108 8.389 -1.237 -13.094 1.00 0.00 N ATOM 861 CA ILE A 108 9.364 -1.972 -12.308 1.00 0.00 C ATOM 862 C ILE A 108 8.655 -3.092 -11.541 1.00 0.00 C ATOM 863 O ILE A 108 9.221 -4.165 -11.341 1.00 0.00 O ATOM 864 CB ILE A 108 10.157 -1.020 -11.410 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.165 0.398 -11.988 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.572 -1.546 -11.165 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.321 1.217 -11.413 1.00 0.00 C ATOM 0 H ILE A 108 8.037 -0.388 -12.652 1.00 0.00 H new ATOM 0 HA ILE A 108 10.099 -2.445 -12.959 1.00 0.00 H new ATOM 0 HB ILE A 108 9.660 -0.972 -10.441 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.252 0.352 -13.074 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.219 0.891 -11.765 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.113 -0.850 -10.524 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.519 -2.520 -10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.094 -1.643 -12.117 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.304 2.220 -11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.218 1.282 -10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.267 0.734 -11.659 1.00 0.00 H new ATOM 868 N ALA A 109 7.428 -2.801 -11.133 1.00 0.00 N ATOM 869 CA ALA A 109 6.637 -3.770 -10.394 1.00 0.00 C ATOM 870 C ALA A 109 6.349 -4.977 -11.290 1.00 0.00 C ATOM 871 O ALA A 109 6.325 -6.112 -10.817 1.00 0.00 O ATOM 872 CB ALA A 109 5.358 -3.102 -9.886 1.00 0.00 C ATOM 0 H ALA A 109 6.963 -1.909 -11.300 1.00 0.00 H new ATOM 0 HA ALA A 109 7.185 -4.130 -9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.764 -3.828 -9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.617 -2.270 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.780 -2.731 -10.733 1.00 0.00 H new ATOM 873 N LYS A 110 6.137 -4.689 -12.565 1.00 0.00 N ATOM 874 CA LYS A 110 5.851 -5.736 -13.531 1.00 0.00 C ATOM 875 C LYS A 110 4.407 -6.211 -13.350 1.00 0.00 C ATOM 876 O LYS A 110 4.157 -7.407 -13.213 1.00 0.00 O ATOM 877 CB LYS A 110 6.885 -6.860 -13.425 1.00 0.00 C ATOM 878 CG LYS A 110 6.890 -7.720 -14.690 1.00 0.00 C ATOM 879 CD LYS A 110 8.318 -8.088 -15.098 1.00 0.00 C ATOM 880 CE LYS A 110 8.630 -7.589 -16.510 1.00 0.00 C ATOM 881 NZ LYS A 110 9.473 -8.569 -17.232 1.00 0.00 N ATOM 0 H LYS A 110 6.157 -3.746 -12.952 1.00 0.00 H new ATOM 0 HA LYS A 110 5.936 -5.350 -14.547 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.876 -6.434 -13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.663 -7.483 -12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.312 -8.628 -14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.404 -7.180 -15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.025 -7.655 -14.391 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.445 -9.170 -15.054 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.702 -7.426 -17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.142 -6.628 -16.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.675 -8.215 -18.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.366 -8.705 -16.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.970 -9.477 -17.298 1.00 0.00 H new ATOM 882 N VAL A 111 3.497 -5.249 -13.355 1.00 0.00 N ATOM 883 CA VAL A 111 2.086 -5.554 -13.193 1.00 0.00 C ATOM 884 C VAL A 111 1.368 -5.356 -14.531 1.00 0.00 C ATOM 885 O VAL A 111 0.195 -5.699 -14.666 1.00 0.00 O ATOM 886 CB VAL A 111 1.493 -4.705 -12.066 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.254 -4.923 -10.757 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.474 -3.223 -12.448 1.00 0.00 C ATOM 0 H VAL A 111 3.709 -4.258 -13.469 1.00 0.00 H new ATOM 0 HA VAL A 111 1.952 -6.596 -12.903 1.00 0.00 H new ATOM 0 HB VAL A 111 0.462 -5.025 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.812 -4.308 -9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.194 -5.973 -10.472 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.299 -4.643 -10.893 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.048 -2.642 -11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.492 -2.884 -12.642 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.869 -3.086 -13.344 1.00 0.00 H new ATOM 889 N PHE A 112 2.104 -4.804 -15.484 1.00 0.00 N ATOM 890 CA PHE A 112 1.554 -4.556 -16.805 1.00 0.00 C ATOM 891 C PHE A 112 2.216 -5.455 -17.852 1.00 0.00 C ATOM 892 O PHE A 112 3.364 -5.230 -18.231 1.00 0.00 O ATOM 893 CB PHE A 112 1.849 -3.093 -17.146 1.00 0.00 C ATOM 894 CG PHE A 112 3.336 -2.783 -17.321 1.00 0.00 C ATOM 895 CD1 PHE A 112 4.271 -3.688 -16.926 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.723 -1.602 -17.873 1.00 0.00 C ATOM 897 CE1 PHE A 112 5.652 -3.400 -17.089 1.00 0.00 C ATOM 898 CE2 PHE A 112 5.105 -1.313 -18.037 1.00 0.00 C ATOM 899 CZ PHE A 112 6.040 -2.219 -17.640 1.00 0.00 C ATOM 0 H PHE A 112 3.077 -4.521 -15.367 1.00 0.00 H new ATOM 0 HA PHE A 112 0.485 -4.766 -16.808 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.323 -2.832 -18.064 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.446 -2.458 -16.357 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.963 -4.626 -16.488 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.980 -0.884 -18.187 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.394 -4.119 -16.775 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.413 -0.376 -18.476 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.090 -2.000 -17.763 1.00 0.00 H new ATOM 900 N ASN A 113 1.462 -6.453 -18.289 1.00 0.00 N ATOM 901 CA ASN A 113 1.961 -7.386 -19.286 1.00 0.00 C ATOM 902 C ASN A 113 2.916 -6.654 -20.231 1.00 0.00 C ATOM 903 O ASN A 113 3.960 -7.190 -20.601 1.00 0.00 O ATOM 904 CB ASN A 113 0.818 -7.963 -20.122 1.00 0.00 C ATOM 905 CG ASN A 113 0.213 -9.196 -19.448 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.899 -10.007 -18.847 1.00 0.00 O ATOM 907 ND2 ASN A 113 -1.107 -9.291 -19.580 1.00 0.00 N ATOM 0 H ASN A 113 0.510 -6.636 -17.972 1.00 0.00 H new ATOM 0 HA ASN A 113 2.470 -8.196 -18.764 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.047 -7.206 -20.262 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.186 -8.230 -21.113 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.606 -10.078 -19.165 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.621 -8.577 -20.096 1.00 0.00 H new