USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=23 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 :FLIP amide:sc= -2.76! F(o=-25,f=-25!) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -8.62! C(o=-25!,f=-28!) USER MOD Set 1.3: A 76 HIS :FLIP no HD1:sc= -11.2! C(o=-29!,f=-25!) USER MOD Set 1.4: A 99 GLN :FLIP amide:sc= -2.22! C(o=-28!,f=-25!) USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= -22.2! C(o=-31!,f=-24!) USER MOD Set 2.2: A 101 SER OG : rot 180:sc= -1.91! 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 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -126:sc= -0.184 (180deg=-0.785) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0278) USER MOD Single : A 23 HIS : no HE2:sc= -6.49! C(o=-6.5!,f=-8.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 29 GLN :FLIP amide:sc= -2.1 F(o=-4.5!,f=-2.1) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc=-0.00302 X(o=-0.003,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.283 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 :FLIP amide:sc=-0.00934 F(o=-2.6,f=-0.0093) USER MOD Single : A 60 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.32) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.0293 (180deg=-0.282) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.058) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 0.593 (180deg=0.462) USER MOD Single : A 93 MET CE :methyl -169:sc= -12! (180deg=-12.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 95 THR OG1 : rot -140:sc= -1.47! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.18) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -4.78! C(o=-5.9!,f=-4.8!) 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= -1.89 X(o=-1.9,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -8.585 -10.043 -7.893 1.00 0.00 N ATOM 49 CA TYR A 7 -7.551 -9.138 -8.366 1.00 0.00 C ATOM 50 C TYR A 7 -7.385 -7.950 -7.414 1.00 0.00 C ATOM 51 O TYR A 7 -6.966 -6.871 -7.831 1.00 0.00 O ATOM 52 CB TYR A 7 -8.029 -8.624 -9.725 1.00 0.00 C ATOM 53 CG TYR A 7 -8.501 -9.726 -10.676 1.00 0.00 C ATOM 54 CD1 TYR A 7 -9.634 -10.457 -10.376 1.00 0.00 C ATOM 55 CD2 TYR A 7 -7.795 -9.990 -11.832 1.00 0.00 C ATOM 56 CE1 TYR A 7 -10.077 -11.495 -11.271 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.240 -11.027 -12.727 1.00 0.00 C ATOM 58 CZ TYR A 7 -9.359 -11.729 -12.402 1.00 0.00 C ATOM 0 HA TYR A 7 -6.591 -9.651 -8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.845 -7.919 -9.569 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.217 -8.072 -10.199 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.187 -10.251 -9.472 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.909 -9.419 -12.066 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.960 -12.075 -11.049 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.698 -11.242 -13.636 1.00 0.00 H new ATOM 59 N ARG A 8 -7.722 -8.190 -6.156 1.00 0.00 N ATOM 60 CA ARG A 8 -7.616 -7.154 -5.142 1.00 0.00 C ATOM 61 C ARG A 8 -7.100 -7.746 -3.830 1.00 0.00 C ATOM 62 O ARG A 8 -7.038 -8.966 -3.677 1.00 0.00 O ATOM 63 CB ARG A 8 -8.970 -6.485 -4.896 1.00 0.00 C ATOM 64 CG ARG A 8 -8.947 -5.021 -5.341 1.00 0.00 C ATOM 65 CD ARG A 8 -9.642 -4.125 -4.314 1.00 0.00 C ATOM 66 NE ARG A 8 -9.664 -2.726 -4.796 1.00 0.00 N ATOM 67 CZ ARG A 8 -10.080 -1.685 -4.062 1.00 0.00 C ATOM 0 H ARG A 8 -8.069 -9.087 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.914 -6.404 -5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.749 -7.021 -5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.221 -6.543 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.916 -4.694 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.441 -4.923 -6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.660 -4.476 -4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.121 -4.181 -3.358 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.342 -2.543 -5.746 1.00 0.00 H new ATOM 68 N ILE A 9 -6.745 -6.856 -2.915 1.00 0.00 N ATOM 69 CA ILE A 9 -6.236 -7.275 -1.620 1.00 0.00 C ATOM 70 C ILE A 9 -7.360 -7.192 -0.585 1.00 0.00 C ATOM 71 O ILE A 9 -8.526 -7.032 -0.941 1.00 0.00 O ATOM 72 CB ILE A 9 -4.993 -6.467 -1.246 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.254 -5.984 -2.496 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.079 -7.266 -0.313 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.583 -7.153 -3.221 1.00 0.00 C ATOM 0 H ILE A 9 -6.800 -5.846 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.911 -8.315 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.315 -5.580 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.954 -5.488 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.503 -5.245 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.203 -6.668 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.620 -7.517 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.763 -8.183 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.065 -6.783 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.866 -7.632 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.340 -7.878 -3.520 1.00 0.00 H new ATOM 76 N LYS A 10 -6.969 -7.305 0.676 1.00 0.00 N ATOM 77 CA LYS A 10 -7.928 -7.244 1.765 1.00 0.00 C ATOM 78 C LYS A 10 -7.213 -7.539 3.086 1.00 0.00 C ATOM 79 O LYS A 10 -7.565 -6.982 4.124 1.00 0.00 O ATOM 80 CB LYS A 10 -9.113 -8.170 1.487 1.00 0.00 C ATOM 81 CG LYS A 10 -10.439 -7.473 1.800 1.00 0.00 C ATOM 82 CD LYS A 10 -11.011 -6.797 0.552 1.00 0.00 C ATOM 83 CE LYS A 10 -10.682 -5.303 0.539 1.00 0.00 C ATOM 84 NZ LYS A 10 -11.609 -4.577 -0.358 1.00 0.00 N ATOM 0 H LYS A 10 -6.001 -7.438 0.967 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.349 -6.242 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.099 -8.481 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.022 -9.074 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.154 -8.200 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.288 -6.730 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.604 -7.271 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.092 -6.935 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.753 -4.900 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.654 -5.154 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.372 -3.564 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.521 -4.951 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.586 -4.705 -0.025 1.00 0.00 H new ATOM 85 N LYS A 11 -6.222 -8.415 3.002 1.00 0.00 N ATOM 86 CA LYS A 11 -5.455 -8.789 4.177 1.00 0.00 C ATOM 87 C LYS A 11 -4.119 -8.045 4.169 1.00 0.00 C ATOM 88 O LYS A 11 -3.735 -7.462 3.155 1.00 0.00 O ATOM 89 CB LYS A 11 -5.311 -10.311 4.259 1.00 0.00 C ATOM 90 CG LYS A 11 -5.330 -10.786 5.714 1.00 0.00 C ATOM 91 CD LYS A 11 -5.827 -12.229 5.812 1.00 0.00 C ATOM 92 CE LYS A 11 -6.752 -12.409 7.018 1.00 0.00 C ATOM 93 NZ LYS A 11 -6.296 -13.542 7.856 1.00 0.00 N ATOM 0 H LYS A 11 -5.933 -8.876 2.139 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.979 -8.491 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.121 -10.787 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.379 -10.618 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.328 -10.713 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.974 -10.135 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.358 -12.498 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.977 -12.905 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.769 -11.494 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.772 -12.588 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.934 -13.651 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.302 -14.416 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.331 -13.356 8.195 1.00 0.00 H new ATOM 94 N ASN A 12 -3.446 -8.087 5.310 1.00 0.00 N ATOM 95 CA ASN A 12 -2.161 -7.423 5.446 1.00 0.00 C ATOM 96 C ASN A 12 -1.075 -8.286 4.799 1.00 0.00 C ATOM 97 O ASN A 12 -0.285 -7.795 3.994 1.00 0.00 O ATOM 98 CB ASN A 12 -1.795 -7.229 6.918 1.00 0.00 C ATOM 99 CG ASN A 12 -2.164 -5.822 7.393 1.00 0.00 C ATOM 100 OD1 ASN A 12 -1.403 -4.877 7.267 1.00 0.00 O ATOM 101 ND2 ASN A 12 -3.370 -5.737 7.946 1.00 0.00 N ATOM 0 H ASN A 12 -3.767 -8.571 6.149 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.231 -6.450 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.314 -7.970 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.727 -7.395 7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.709 -4.841 8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.957 -6.568 8.020 1.00 0.00 H new ATOM 102 N ALA A 13 -1.071 -9.556 5.175 1.00 0.00 N ATOM 103 CA ALA A 13 -0.095 -10.491 4.641 1.00 0.00 C ATOM 104 C ALA A 13 0.078 -10.241 3.141 1.00 0.00 C ATOM 105 O ALA A 13 1.182 -9.957 2.680 1.00 0.00 O ATOM 106 CB ALA A 13 -0.541 -11.924 4.946 1.00 0.00 C ATOM 0 H ALA A 13 -1.728 -9.960 5.843 1.00 0.00 H new ATOM 0 HA ALA A 13 0.876 -10.344 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.191 -12.626 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.620 -12.059 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.511 -12.109 4.485 1.00 0.00 H new ATOM 107 N ASP A 14 -1.030 -10.356 2.424 1.00 0.00 N ATOM 108 CA ASP A 14 -1.014 -10.145 0.986 1.00 0.00 C ATOM 109 C ASP A 14 -0.221 -8.876 0.669 1.00 0.00 C ATOM 110 O ASP A 14 0.535 -8.837 -0.301 1.00 0.00 O ATOM 111 CB ASP A 14 -2.432 -9.965 0.440 1.00 0.00 C ATOM 112 CG ASP A 14 -3.399 -11.106 0.762 1.00 0.00 C ATOM 113 OD1 ASP A 14 -2.906 -12.249 0.886 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.607 -10.811 0.877 1.00 0.00 O ATOM 0 H ASP A 14 -1.944 -10.592 2.811 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.557 -11.019 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.843 -9.037 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.376 -9.851 -0.643 1.00 0.00 H new ATOM 115 N PHE A 15 -0.420 -7.868 1.506 1.00 0.00 N ATOM 116 CA PHE A 15 0.268 -6.601 1.326 1.00 0.00 C ATOM 117 C PHE A 15 1.720 -6.693 1.801 1.00 0.00 C ATOM 118 O PHE A 15 2.622 -6.160 1.156 1.00 0.00 O ATOM 119 CB PHE A 15 -0.471 -5.567 2.180 1.00 0.00 C ATOM 120 CG PHE A 15 -1.353 -4.611 1.375 1.00 0.00 C ATOM 121 CD1 PHE A 15 -0.791 -3.571 0.701 1.00 0.00 C ATOM 122 CD2 PHE A 15 -2.699 -4.800 1.333 1.00 0.00 C ATOM 123 CE1 PHE A 15 -1.610 -2.684 -0.047 1.00 0.00 C ATOM 124 CE2 PHE A 15 -3.517 -3.913 0.586 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.956 -2.874 -0.088 1.00 0.00 C ATOM 0 H PHE A 15 -1.047 -7.903 2.310 1.00 0.00 H new ATOM 0 HA PHE A 15 0.276 -6.328 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.090 -6.089 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.260 -4.985 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.278 -3.420 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.145 -5.625 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.164 -1.859 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.586 -4.063 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.579 -2.199 -0.656 1.00 0.00 H new ATOM 126 N GLN A 16 1.900 -7.371 2.924 1.00 0.00 N ATOM 127 CA GLN A 16 3.227 -7.540 3.492 1.00 0.00 C ATOM 128 C GLN A 16 4.098 -8.389 2.563 1.00 0.00 C ATOM 129 O GLN A 16 5.300 -8.155 2.447 1.00 0.00 O ATOM 130 CB GLN A 16 3.150 -8.159 4.888 1.00 0.00 C ATOM 131 CG GLN A 16 1.922 -7.653 5.646 1.00 0.00 C ATOM 132 CD GLN A 16 2.290 -7.234 7.071 1.00 0.00 C ATOM 133 OE1 GLN A 16 2.652 -6.099 7.337 1.00 0.00 O ATOM 134 NE2 GLN A 16 2.178 -8.208 7.968 1.00 0.00 N ATOM 0 H GLN A 16 1.149 -7.810 3.457 1.00 0.00 H new ATOM 0 HA GLN A 16 3.687 -6.557 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.109 -9.245 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.053 -7.915 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.486 -6.806 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.163 -8.434 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.869 -9.136 7.678 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.401 -8.028 8.947 1.00 0.00 H new ATOM 135 N ARG A 17 3.457 -9.357 1.924 1.00 0.00 N ATOM 136 CA ARG A 17 4.158 -10.241 1.009 1.00 0.00 C ATOM 137 C ARG A 17 5.144 -9.445 0.152 1.00 0.00 C ATOM 138 O ARG A 17 6.352 -9.499 0.376 1.00 0.00 O ATOM 139 CB ARG A 17 3.177 -10.978 0.094 1.00 0.00 C ATOM 140 CG ARG A 17 3.921 -11.846 -0.922 1.00 0.00 C ATOM 141 CD ARG A 17 4.137 -13.261 -0.380 1.00 0.00 C ATOM 142 NE ARG A 17 2.905 -14.063 -0.555 1.00 0.00 N ATOM 143 CZ ARG A 17 2.635 -15.185 0.128 1.00 0.00 C ATOM 0 H ARG A 17 2.460 -9.548 2.022 1.00 0.00 H new ATOM 0 HA ARG A 17 4.700 -10.974 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.513 -11.601 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.550 -10.256 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.354 -11.891 -1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.884 -11.392 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.968 -13.736 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.406 -13.218 0.675 1.00 0.00 H new ATOM 0 HE ARG A 17 2.219 -13.742 -1.238 1.00 0.00 H new ATOM 144 N ILE A 18 4.591 -8.724 -0.814 1.00 0.00 N ATOM 145 CA ILE A 18 5.407 -7.918 -1.705 1.00 0.00 C ATOM 146 C ILE A 18 6.430 -7.130 -0.883 1.00 0.00 C ATOM 147 O ILE A 18 7.633 -7.241 -1.112 1.00 0.00 O ATOM 148 CB ILE A 18 4.523 -7.039 -2.592 1.00 0.00 C ATOM 149 CG1 ILE A 18 3.218 -6.679 -1.880 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.272 -7.703 -3.947 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.056 -7.524 -2.404 1.00 0.00 C ATOM 0 H ILE A 18 3.589 -8.682 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 18 5.970 -8.556 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 18 5.053 -6.106 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.330 -6.834 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.999 -5.622 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.641 -7.057 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.223 -7.866 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.773 -8.660 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.140 -7.248 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.931 -7.348 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.267 -8.579 -2.233 1.00 0.00 H new ATOM 152 N TYR A 19 5.912 -6.354 0.058 1.00 0.00 N ATOM 153 CA TYR A 19 6.766 -5.549 0.916 1.00 0.00 C ATOM 154 C TYR A 19 7.808 -6.417 1.622 1.00 0.00 C ATOM 155 O TYR A 19 8.792 -5.903 2.152 1.00 0.00 O ATOM 156 CB TYR A 19 5.841 -4.928 1.965 1.00 0.00 C ATOM 157 CG TYR A 19 5.177 -3.625 1.516 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.517 -3.569 0.305 1.00 0.00 C ATOM 159 CD2 TYR A 19 5.238 -2.506 2.321 1.00 0.00 C ATOM 160 CE1 TYR A 19 3.891 -2.342 -0.118 1.00 0.00 C ATOM 161 CE2 TYR A 19 4.613 -1.279 1.898 1.00 0.00 C ATOM 162 CZ TYR A 19 3.970 -1.258 0.700 1.00 0.00 C ATOM 0 H TYR A 19 4.913 -6.265 0.245 1.00 0.00 H new ATOM 0 HA TYR A 19 7.301 -4.799 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.065 -5.649 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.414 -4.738 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.470 -4.445 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.754 -2.550 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.371 -2.284 -1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.654 -0.396 2.518 1.00 0.00 H new ATOM 163 N LYS A 20 7.559 -7.718 1.606 1.00 0.00 N ATOM 164 CA LYS A 20 8.464 -8.662 2.238 1.00 0.00 C ATOM 165 C LYS A 20 9.732 -8.791 1.392 1.00 0.00 C ATOM 166 O LYS A 20 10.755 -8.183 1.704 1.00 0.00 O ATOM 167 CB LYS A 20 7.757 -9.995 2.493 1.00 0.00 C ATOM 168 CG LYS A 20 8.172 -10.587 3.841 1.00 0.00 C ATOM 169 CD LYS A 20 6.988 -10.630 4.809 1.00 0.00 C ATOM 170 CE LYS A 20 7.227 -11.654 5.921 1.00 0.00 C ATOM 171 NZ LYS A 20 7.318 -13.019 5.357 1.00 0.00 N ATOM 0 H LYS A 20 6.742 -8.141 1.165 1.00 0.00 H new ATOM 0 HA LYS A 20 8.770 -8.297 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.677 -9.847 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.997 -10.697 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.564 -11.594 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.977 -9.991 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.834 -9.643 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.078 -10.884 4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.146 -11.412 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.415 -11.607 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.639 -13.640 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.098 -12.990 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.281 -13.387 5.492 1.00 0.00 H new ATOM 172 N LYS A 21 9.624 -9.585 0.338 1.00 0.00 N ATOM 173 CA LYS A 21 10.749 -9.801 -0.556 1.00 0.00 C ATOM 174 C LYS A 21 10.362 -9.366 -1.971 1.00 0.00 C ATOM 175 O LYS A 21 11.152 -9.503 -2.904 1.00 0.00 O ATOM 176 CB LYS A 21 11.231 -11.250 -0.469 1.00 0.00 C ATOM 177 CG LYS A 21 12.756 -11.327 -0.562 1.00 0.00 C ATOM 178 CD LYS A 21 13.398 -11.202 0.821 1.00 0.00 C ATOM 179 CE LYS A 21 13.730 -12.580 1.397 1.00 0.00 C ATOM 180 NZ LYS A 21 12.659 -13.031 2.314 1.00 0.00 N ATOM 0 H LYS A 21 8.774 -10.087 0.082 1.00 0.00 H new ATOM 0 HA LYS A 21 11.598 -9.188 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.898 -11.692 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.784 -11.835 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.049 -12.273 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.125 -10.533 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.307 -10.604 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.721 -10.676 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.850 -13.300 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.680 -12.538 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.939 -13.927 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.505 -12.311 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.779 -13.172 1.778 1.00 0.00 H new ATOM 181 N GLY A 22 9.148 -8.849 -2.085 1.00 0.00 N ATOM 182 CA GLY A 22 8.647 -8.393 -3.371 1.00 0.00 C ATOM 183 C GLY A 22 9.638 -7.438 -4.038 1.00 0.00 C ATOM 184 O GLY A 22 10.614 -7.017 -3.418 1.00 0.00 O ATOM 0 H GLY A 22 8.496 -8.736 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.469 -9.250 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.689 -7.892 -3.235 1.00 0.00 H new ATOM 185 N HIS A 23 9.356 -7.126 -5.294 1.00 0.00 N ATOM 186 CA HIS A 23 10.212 -6.229 -6.053 1.00 0.00 C ATOM 187 C HIS A 23 9.501 -4.889 -6.252 1.00 0.00 C ATOM 188 O HIS A 23 8.640 -4.761 -7.119 1.00 0.00 O ATOM 189 CB HIS A 23 10.641 -6.874 -7.372 1.00 0.00 C ATOM 190 CG HIS A 23 11.305 -5.919 -8.336 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.660 -5.952 -8.610 1.00 0.00 N ATOM 192 CD2 HIS A 23 10.784 -4.905 -9.086 1.00 0.00 C ATOM 193 CE1 HIS A 23 12.932 -4.997 -9.486 1.00 0.00 C ATOM 194 NE2 HIS A 23 11.768 -4.349 -9.780 1.00 0.00 N ATOM 0 H HIS A 23 8.547 -7.478 -5.806 1.00 0.00 H new ATOM 0 HA HIS A 23 11.129 -6.036 -5.495 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.327 -7.693 -7.158 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.765 -7.309 -7.853 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.335 -6.601 -8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.747 -4.606 -9.110 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.905 -4.771 -9.896 1.00 0.00 H new ATOM 195 N SER A 24 9.892 -3.922 -5.433 1.00 0.00 N ATOM 196 CA SER A 24 9.303 -2.596 -5.509 1.00 0.00 C ATOM 197 C SER A 24 10.093 -1.727 -6.490 1.00 0.00 C ATOM 198 O SER A 24 11.313 -1.846 -6.586 1.00 0.00 O ATOM 199 CB SER A 24 9.260 -1.933 -4.131 1.00 0.00 C ATOM 200 OG SER A 24 10.470 -2.133 -3.404 1.00 0.00 O ATOM 0 H SER A 24 10.608 -4.031 -4.715 1.00 0.00 H new ATOM 0 HA SER A 24 8.278 -2.698 -5.867 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.080 -0.864 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.423 -2.336 -3.561 1.00 0.00 H new ATOM 0 HG SER A 24 10.403 -1.693 -2.531 1.00 0.00 H new ATOM 201 N VAL A 25 9.364 -0.875 -7.196 1.00 0.00 N ATOM 202 CA VAL A 25 9.981 0.012 -8.167 1.00 0.00 C ATOM 203 C VAL A 25 9.347 1.401 -8.057 1.00 0.00 C ATOM 204 O VAL A 25 8.134 1.522 -7.894 1.00 0.00 O ATOM 205 CB VAL A 25 9.869 -0.587 -9.570 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.679 -1.881 -9.678 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.406 -0.822 -9.949 1.00 0.00 C ATOM 0 H VAL A 25 8.352 -0.780 -7.115 1.00 0.00 H new ATOM 0 HA VAL A 25 11.046 0.123 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 25 10.287 0.130 -10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.583 -2.287 -10.685 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.728 -1.672 -9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.303 -2.607 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.354 -1.248 -10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.952 -1.511 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.868 0.126 -9.930 1.00 0.00 H new ATOM 208 N ALA A 26 10.196 2.414 -8.154 1.00 0.00 N ATOM 209 CA ALA A 26 9.734 3.789 -8.068 1.00 0.00 C ATOM 210 C ALA A 26 10.327 4.594 -9.226 1.00 0.00 C ATOM 211 O ALA A 26 11.545 4.648 -9.390 1.00 0.00 O ATOM 212 CB ALA A 26 10.107 4.369 -6.703 1.00 0.00 C ATOM 0 H ALA A 26 11.201 2.310 -8.291 1.00 0.00 H new ATOM 0 HA ALA A 26 8.649 3.836 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.760 5.400 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.637 3.779 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.190 4.342 -6.580 1.00 0.00 H new ATOM 213 N ASN A 27 9.438 5.201 -9.999 1.00 0.00 N ATOM 214 CA ASN A 27 9.858 6.002 -11.136 1.00 0.00 C ATOM 215 C ASN A 27 10.440 7.325 -10.636 1.00 0.00 C ATOM 216 O ASN A 27 11.612 7.392 -10.267 1.00 0.00 O ATOM 217 CB ASN A 27 8.675 6.321 -12.051 1.00 0.00 C ATOM 218 CG ASN A 27 7.395 6.533 -11.240 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.609 6.878 -9.974 1.00 0.00 O flip ATOM 220 ND2 ASN A 27 6.288 6.393 -11.732 1.00 0.00 N flip ATOM 0 H ASN A 27 8.429 5.154 -9.860 1.00 0.00 H new ATOM 0 HA ASN A 27 10.602 5.433 -11.693 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.893 7.216 -12.634 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.529 5.506 -12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.196 6.126 -12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.455 6.543 -11.163 1.00 0.00 H new ATOM 221 N ARG A 28 9.595 8.345 -10.639 1.00 0.00 N ATOM 222 CA ARG A 28 10.010 9.663 -10.191 1.00 0.00 C ATOM 223 C ARG A 28 9.105 10.148 -9.056 1.00 0.00 C ATOM 224 O ARG A 28 9.571 10.792 -8.117 1.00 0.00 O ATOM 225 CB ARG A 28 9.965 10.676 -11.337 1.00 0.00 C ATOM 226 CG ARG A 28 8.809 10.370 -12.292 1.00 0.00 C ATOM 227 CD ARG A 28 8.775 11.371 -13.450 1.00 0.00 C ATOM 228 NE ARG A 28 9.572 10.858 -14.587 1.00 0.00 N ATOM 229 CZ ARG A 28 9.141 9.920 -15.442 1.00 0.00 C ATOM 0 H ARG A 28 8.624 8.285 -10.945 1.00 0.00 H new ATOM 0 HA ARG A 28 11.036 9.582 -9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.852 11.682 -10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.908 10.655 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.914 9.358 -12.684 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.865 10.405 -11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.745 11.541 -13.764 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.171 12.332 -13.122 1.00 0.00 H new ATOM 0 HE ARG A 28 10.506 11.242 -14.729 1.00 0.00 H new ATOM 230 N GLN A 29 7.828 9.819 -9.180 1.00 0.00 N ATOM 231 CA GLN A 29 6.853 10.212 -8.176 1.00 0.00 C ATOM 232 C GLN A 29 5.801 9.115 -7.999 1.00 0.00 C ATOM 233 O GLN A 29 4.603 9.388 -8.034 1.00 0.00 O ATOM 234 CB GLN A 29 6.199 11.545 -8.541 1.00 0.00 C ATOM 235 CG GLN A 29 7.140 12.405 -9.388 1.00 0.00 C ATOM 236 CD GLN A 29 6.435 13.674 -9.872 1.00 0.00 C ATOM 237 OE1 GLN A 29 5.530 13.460 -10.824 1.00 0.00 O flip ATOM 238 NE2 GLN A 29 6.696 14.773 -9.414 1.00 0.00 N flip ATOM 0 H GLN A 29 7.445 9.285 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 29 7.372 10.347 -7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.275 11.362 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.929 12.082 -7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.019 12.674 -8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.491 11.830 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.402 14.867 -8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.208 15.599 -9.761 1.00 0.00 H new ATOM 239 N PHE A 30 6.288 7.897 -7.813 1.00 0.00 N ATOM 240 CA PHE A 30 5.405 6.758 -7.631 1.00 0.00 C ATOM 241 C PHE A 30 6.205 5.462 -7.488 1.00 0.00 C ATOM 242 O PHE A 30 7.232 5.285 -8.142 1.00 0.00 O ATOM 243 CB PHE A 30 4.528 6.667 -8.881 1.00 0.00 C ATOM 244 CG PHE A 30 3.190 5.961 -8.652 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.542 6.100 -7.465 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.649 5.195 -9.637 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.300 5.445 -7.253 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.406 4.540 -9.426 1.00 0.00 C ATOM 249 CZ PHE A 30 0.758 4.680 -8.238 1.00 0.00 C ATOM 0 H PHE A 30 7.283 7.674 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 30 4.811 6.889 -6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.337 7.674 -9.252 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.077 6.139 -9.660 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.972 6.709 -6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.164 5.085 -10.580 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.786 5.554 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.976 3.932 -10.208 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.187 4.183 -8.077 1.00 0.00 H new ATOM 250 N VAL A 31 5.705 4.587 -6.626 1.00 0.00 N ATOM 251 CA VAL A 31 6.360 3.312 -6.390 1.00 0.00 C ATOM 252 C VAL A 31 5.315 2.194 -6.410 1.00 0.00 C ATOM 253 O VAL A 31 4.280 2.295 -5.753 1.00 0.00 O ATOM 254 CB VAL A 31 7.151 3.366 -5.081 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.441 4.812 -4.674 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.417 2.619 -3.965 1.00 0.00 C ATOM 0 H VAL A 31 4.854 4.737 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 31 7.078 3.099 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 31 8.106 2.867 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.004 4.821 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.025 5.300 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.501 5.347 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.001 2.673 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.441 3.076 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.286 1.575 -4.251 1.00 0.00 H new ATOM 257 N VAL A 32 5.622 1.155 -7.172 1.00 0.00 N ATOM 258 CA VAL A 32 4.722 0.021 -7.288 1.00 0.00 C ATOM 259 C VAL A 32 5.439 -1.245 -6.811 1.00 0.00 C ATOM 260 O VAL A 32 6.612 -1.450 -7.117 1.00 0.00 O ATOM 261 CB VAL A 32 4.202 -0.092 -8.722 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.425 1.163 -9.123 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.347 -0.364 -9.700 1.00 0.00 C ATOM 0 H VAL A 32 6.482 1.075 -7.715 1.00 0.00 H new ATOM 0 HA VAL A 32 3.849 0.161 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 32 3.517 -0.938 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.066 1.057 -10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.576 1.295 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.079 2.033 -9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.950 -0.440 -10.712 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.068 0.453 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.840 -1.299 -9.432 1.00 0.00 H new ATOM 264 N TYR A 33 4.704 -2.060 -6.069 1.00 0.00 N ATOM 265 CA TYR A 33 5.255 -3.298 -5.546 1.00 0.00 C ATOM 266 C TYR A 33 4.647 -4.510 -6.254 1.00 0.00 C ATOM 267 O TYR A 33 3.430 -4.591 -6.421 1.00 0.00 O ATOM 268 CB TYR A 33 4.870 -3.340 -4.066 1.00 0.00 C ATOM 269 CG TYR A 33 5.824 -2.566 -3.153 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.121 -1.247 -3.426 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.386 -3.188 -2.057 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.018 -0.519 -2.567 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.284 -2.460 -1.197 1.00 0.00 C ATOM 274 CZ TYR A 33 7.555 -1.161 -1.495 1.00 0.00 C ATOM 0 H TYR A 33 3.731 -1.887 -5.818 1.00 0.00 H new ATOM 0 HA TYR A 33 6.334 -3.332 -5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.865 -2.935 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.834 -4.379 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.681 -0.761 -4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.153 -4.221 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.259 0.514 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.731 -2.935 -0.336 1.00 0.00 H new ATOM 275 N THR A 34 5.520 -5.423 -6.651 1.00 0.00 N ATOM 276 CA THR A 34 5.084 -6.628 -7.338 1.00 0.00 C ATOM 277 C THR A 34 5.963 -7.816 -6.942 1.00 0.00 C ATOM 278 O THR A 34 7.101 -7.634 -6.511 1.00 0.00 O ATOM 279 CB THR A 34 5.087 -6.344 -8.840 1.00 0.00 C ATOM 280 OG1 THR A 34 6.458 -6.102 -9.145 1.00 0.00 O ATOM 281 CG2 THR A 34 4.391 -5.027 -9.190 1.00 0.00 C ATOM 0 H THR A 34 6.528 -5.353 -6.510 1.00 0.00 H new ATOM 0 HA THR A 34 4.070 -6.903 -7.047 1.00 0.00 H new ATOM 0 HB THR A 34 4.597 -7.164 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.551 -5.910 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.422 -4.875 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.353 -5.065 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.901 -4.202 -8.692 1.00 0.00 H new ATOM 282 N CYS A 35 5.403 -9.005 -7.101 1.00 0.00 N ATOM 283 CA CYS A 35 6.121 -10.223 -6.766 1.00 0.00 C ATOM 284 C CYS A 35 5.435 -11.395 -7.468 1.00 0.00 C ATOM 285 O CYS A 35 4.243 -11.333 -7.766 1.00 0.00 O ATOM 286 CB CYS A 35 6.204 -10.433 -5.253 1.00 0.00 C ATOM 287 SG CYS A 35 7.220 -11.907 -4.880 1.00 0.00 S ATOM 0 H CYS A 35 4.459 -9.152 -7.458 1.00 0.00 H new ATOM 0 HA CYS A 35 7.151 -10.147 -7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.638 -9.553 -4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.203 -10.557 -4.839 1.00 0.00 H new ATOM 0 HG CYS A 35 7.286 -12.074 -3.592 1.00 0.00 H new ATOM 338 N HIS A 42 -3.776 -13.888 -10.757 1.00 0.00 N ATOM 339 CA HIS A 42 -4.380 -12.680 -11.291 1.00 0.00 C ATOM 340 C HIS A 42 -3.646 -11.454 -10.745 1.00 0.00 C ATOM 341 O HIS A 42 -2.934 -11.545 -9.746 1.00 0.00 O ATOM 342 CB HIS A 42 -5.883 -12.649 -11.001 1.00 0.00 C ATOM 343 CG HIS A 42 -6.491 -14.012 -10.772 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.050 -14.763 -11.790 1.00 0.00 N ATOM 345 CD2 HIS A 42 -6.621 -14.750 -9.632 1.00 0.00 C ATOM 346 CE1 HIS A 42 -7.495 -15.900 -11.275 1.00 0.00 C ATOM 347 NE2 HIS A 42 -7.229 -15.890 -9.937 1.00 0.00 N ATOM 0 HA HIS A 42 -4.278 -12.668 -12.376 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.060 -12.031 -10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.394 -12.170 -11.836 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.286 -14.457 -8.648 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.983 -16.695 -11.819 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.459 -16.635 -9.280 1.00 0.00 H new ATOM 348 N PHE A 43 -3.844 -10.333 -11.424 1.00 0.00 N ATOM 349 CA PHE A 43 -3.210 -9.090 -11.020 1.00 0.00 C ATOM 350 C PHE A 43 -3.945 -8.460 -9.834 1.00 0.00 C ATOM 351 O PHE A 43 -5.055 -7.952 -9.987 1.00 0.00 O ATOM 352 CB PHE A 43 -3.285 -8.140 -12.215 1.00 0.00 C ATOM 353 CG PHE A 43 -4.705 -7.910 -12.739 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.460 -6.896 -12.235 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.210 -8.717 -13.708 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.776 -6.683 -12.721 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.527 -8.504 -14.196 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.283 -7.491 -13.691 1.00 0.00 C ATOM 0 H PHE A 43 -4.435 -10.260 -12.252 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.181 -9.279 -10.716 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.854 -7.180 -11.931 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.671 -8.539 -13.022 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.058 -6.254 -11.466 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.610 -9.521 -14.108 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.376 -5.879 -12.321 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.928 -9.145 -14.967 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.285 -7.329 -14.060 1.00 0.00 H new ATOM 359 N ARG A 44 -3.295 -8.512 -8.681 1.00 0.00 N ATOM 360 CA ARG A 44 -3.874 -7.952 -7.471 1.00 0.00 C ATOM 361 C ARG A 44 -3.686 -6.434 -7.445 1.00 0.00 C ATOM 362 O ARG A 44 -2.560 -5.946 -7.362 1.00 0.00 O ATOM 363 CB ARG A 44 -3.232 -8.560 -6.222 1.00 0.00 C ATOM 364 CG ARG A 44 -3.252 -10.088 -6.283 1.00 0.00 C ATOM 365 CD ARG A 44 -3.257 -10.693 -4.878 1.00 0.00 C ATOM 366 NE ARG A 44 -2.046 -11.521 -4.679 1.00 0.00 N ATOM 367 CZ ARG A 44 -1.560 -11.864 -3.479 1.00 0.00 C ATOM 0 H ARG A 44 -2.374 -8.933 -8.559 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.938 -8.189 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.204 -8.210 -6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.765 -8.221 -5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.134 -10.422 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.381 -10.445 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.292 -9.899 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.151 -11.301 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.551 -11.851 -5.508 1.00 0.00 H new ATOM 368 N LEU A 45 -4.806 -5.729 -7.519 1.00 0.00 N ATOM 369 CA LEU A 45 -4.777 -4.277 -7.506 1.00 0.00 C ATOM 370 C LEU A 45 -4.848 -3.783 -6.060 1.00 0.00 C ATOM 371 O LEU A 45 -5.801 -4.085 -5.343 1.00 0.00 O ATOM 372 CB LEU A 45 -5.881 -3.712 -8.404 1.00 0.00 C ATOM 373 CG LEU A 45 -5.504 -2.487 -9.239 1.00 0.00 C ATOM 374 CD1 LEU A 45 -6.382 -2.384 -10.489 1.00 0.00 C ATOM 375 CD2 LEU A 45 -5.555 -1.211 -8.396 1.00 0.00 C ATOM 0 H LEU A 45 -5.738 -6.137 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.839 -3.910 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.211 -4.501 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.734 -3.452 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.475 -2.608 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.093 -1.505 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.251 -3.277 -11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.427 -2.297 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.283 -0.355 -9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.564 -1.072 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.855 -1.296 -7.565 1.00 0.00 H new ATOM 376 N GLY A 46 -3.828 -3.030 -5.675 1.00 0.00 N ATOM 377 CA GLY A 46 -3.762 -2.491 -4.327 1.00 0.00 C ATOM 378 C GLY A 46 -3.481 -0.988 -4.351 1.00 0.00 C ATOM 379 O GLY A 46 -2.586 -0.532 -5.061 1.00 0.00 O ATOM 0 H GLY A 46 -3.040 -2.780 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.702 -2.681 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.980 -3.002 -3.765 1.00 0.00 H new ATOM 380 N ILE A 47 -4.261 -0.260 -3.566 1.00 0.00 N ATOM 381 CA ILE A 47 -4.107 1.183 -3.488 1.00 0.00 C ATOM 382 C ILE A 47 -3.419 1.548 -2.171 1.00 0.00 C ATOM 383 O ILE A 47 -3.786 1.037 -1.113 1.00 0.00 O ATOM 384 CB ILE A 47 -5.454 1.878 -3.692 1.00 0.00 C ATOM 385 CG1 ILE A 47 -6.610 0.885 -3.550 1.00 0.00 C ATOM 386 CG2 ILE A 47 -5.494 2.617 -5.031 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.628 -0.104 -4.717 1.00 0.00 C ATOM 0 H ILE A 47 -5.002 -0.642 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.465 1.541 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.574 2.626 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.515 0.342 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.556 1.425 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.463 3.102 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.706 3.370 -5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.342 1.906 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.459 -0.799 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.748 0.441 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.690 -0.659 -4.738 1.00 0.00 H new ATOM 388 N SER A 48 -2.435 2.428 -2.278 1.00 0.00 N ATOM 389 CA SER A 48 -1.693 2.867 -1.108 1.00 0.00 C ATOM 390 C SER A 48 -1.318 4.343 -1.250 1.00 0.00 C ATOM 391 O SER A 48 -0.859 4.773 -2.308 1.00 0.00 O ATOM 392 CB SER A 48 -0.437 2.018 -0.902 1.00 0.00 C ATOM 393 OG SER A 48 -0.751 0.646 -0.680 1.00 0.00 O ATOM 0 H SER A 48 -2.134 2.849 -3.157 1.00 0.00 H new ATOM 0 HA SER A 48 -2.330 2.743 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.207 2.106 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.126 2.403 -0.052 1.00 0.00 H new ATOM 0 HG SER A 48 0.077 0.137 -0.554 1.00 0.00 H new ATOM 394 N VAL A 49 -1.528 5.081 -0.169 1.00 0.00 N ATOM 395 CA VAL A 49 -1.218 6.500 -0.160 1.00 0.00 C ATOM 396 C VAL A 49 -0.596 6.873 1.188 1.00 0.00 C ATOM 397 O VAL A 49 -0.725 6.133 2.161 1.00 0.00 O ATOM 398 CB VAL A 49 -2.473 7.313 -0.483 1.00 0.00 C ATOM 399 CG1 VAL A 49 -2.261 8.796 -0.175 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.896 7.111 -1.941 1.00 0.00 C ATOM 0 H VAL A 49 -1.909 4.722 0.706 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.487 6.735 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.280 6.951 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.168 9.351 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.029 8.918 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.434 9.178 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.790 7.700 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.091 7.433 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.108 6.056 -2.116 1.00 0.00 H new ATOM 401 N SER A 50 0.067 8.021 1.200 1.00 0.00 N ATOM 402 CA SER A 50 0.709 8.501 2.412 1.00 0.00 C ATOM 403 C SER A 50 -0.230 9.448 3.163 1.00 0.00 C ATOM 404 O SER A 50 -1.203 9.941 2.594 1.00 0.00 O ATOM 405 CB SER A 50 2.029 9.205 2.093 1.00 0.00 C ATOM 406 OG SER A 50 2.573 9.860 3.235 1.00 0.00 O ATOM 0 H SER A 50 0.173 8.632 0.390 1.00 0.00 H new ATOM 0 HA SER A 50 0.930 7.642 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.747 8.476 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.869 9.934 1.299 1.00 0.00 H new ATOM 0 HG SER A 50 3.416 10.296 2.991 1.00 0.00 H new ATOM 407 N LYS A 51 0.095 9.672 4.427 1.00 0.00 N ATOM 408 CA LYS A 51 -0.708 10.550 5.261 1.00 0.00 C ATOM 409 C LYS A 51 -0.001 11.900 5.399 1.00 0.00 C ATOM 410 O LYS A 51 -0.497 12.798 6.079 1.00 0.00 O ATOM 411 CB LYS A 51 -1.020 9.880 6.601 1.00 0.00 C ATOM 412 CG LYS A 51 -1.766 10.837 7.532 1.00 0.00 C ATOM 413 CD LYS A 51 -0.799 11.531 8.493 1.00 0.00 C ATOM 414 CE LYS A 51 -0.580 10.691 9.752 1.00 0.00 C ATOM 415 NZ LYS A 51 -0.525 11.558 10.951 1.00 0.00 N ATOM 0 H LYS A 51 0.903 9.261 4.894 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.674 10.740 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.622 8.987 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.093 9.556 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.297 11.584 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.516 10.287 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.155 11.701 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.194 12.509 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.387 9.966 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.347 10.125 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.376 10.972 11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.260 12.234 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.420 12.079 11.044 1.00 0.00 H new ATOM 416 N LYS A 52 1.145 12.002 4.744 1.00 0.00 N ATOM 417 CA LYS A 52 1.925 13.228 4.785 1.00 0.00 C ATOM 418 C LYS A 52 1.748 13.984 3.466 1.00 0.00 C ATOM 419 O LYS A 52 2.037 15.177 3.387 1.00 0.00 O ATOM 420 CB LYS A 52 3.385 12.923 5.128 1.00 0.00 C ATOM 421 CG LYS A 52 3.868 13.793 6.289 1.00 0.00 C ATOM 422 CD LYS A 52 4.652 15.004 5.778 1.00 0.00 C ATOM 423 CE LYS A 52 4.999 15.956 6.925 1.00 0.00 C ATOM 424 NZ LYS A 52 6.235 15.516 7.609 1.00 0.00 N ATOM 0 H LYS A 52 1.553 11.256 4.181 1.00 0.00 H new ATOM 0 HA LYS A 52 1.565 13.882 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.488 11.870 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.012 13.097 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.013 14.130 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.498 13.202 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.567 14.669 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.064 15.532 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.130 16.967 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.175 15.991 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.455 16.173 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.097 14.560 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.023 15.505 6.930 1.00 0.00 H new ATOM 425 N LEU A 53 1.273 13.260 2.464 1.00 0.00 N ATOM 426 CA LEU A 53 1.053 13.847 1.153 1.00 0.00 C ATOM 427 C LEU A 53 0.488 15.259 1.320 1.00 0.00 C ATOM 428 O LEU A 53 1.162 16.241 1.016 1.00 0.00 O ATOM 429 CB LEU A 53 0.179 12.931 0.295 1.00 0.00 C ATOM 430 CG LEU A 53 0.770 12.509 -1.052 1.00 0.00 C ATOM 431 CD1 LEU A 53 0.845 10.985 -1.164 1.00 0.00 C ATOM 432 CD2 LEU A 53 -0.011 13.132 -2.212 1.00 0.00 C ATOM 0 H LEU A 53 1.034 12.271 2.533 1.00 0.00 H new ATOM 0 HA LEU A 53 1.996 13.943 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.044 12.032 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.770 13.435 0.111 1.00 0.00 H new ATOM 0 HG LEU A 53 1.791 12.887 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.268 10.712 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.476 10.592 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.156 10.564 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.429 12.816 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.050 12.805 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.031 14.219 -2.137 1.00 0.00 H new ATOM 433 N GLY A 54 -0.745 15.314 1.803 1.00 0.00 N ATOM 434 CA GLY A 54 -1.409 16.590 2.015 1.00 0.00 C ATOM 435 C GLY A 54 -2.900 16.391 2.294 1.00 0.00 C ATOM 436 O GLY A 54 -3.273 15.825 3.320 1.00 0.00 O ATOM 0 H GLY A 54 -1.301 14.497 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.945 17.111 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.281 17.222 1.136 1.00 0.00 H new ATOM 437 N ASN A 55 -3.713 16.869 1.363 1.00 0.00 N ATOM 438 CA ASN A 55 -5.155 16.751 1.496 1.00 0.00 C ATOM 439 C ASN A 55 -5.632 15.508 0.742 1.00 0.00 C ATOM 440 O ASN A 55 -4.852 14.591 0.493 1.00 0.00 O ATOM 441 CB ASN A 55 -5.864 17.968 0.898 1.00 0.00 C ATOM 442 CG ASN A 55 -4.889 19.131 0.706 1.00 0.00 C ATOM 443 OD1 ASN A 55 -4.236 19.104 -0.453 1.00 0.00 O flip ATOM 444 ND2 ASN A 55 -4.739 19.997 1.553 1.00 0.00 N flip ATOM 0 H ASN A 55 -3.400 17.339 0.513 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.392 16.681 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.309 17.700 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.679 18.276 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.272 19.958 2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.081 20.759 1.392 1.00 0.00 H new ATOM 445 N ALA A 56 -6.912 15.518 0.400 1.00 0.00 N ATOM 446 CA ALA A 56 -7.503 14.403 -0.319 1.00 0.00 C ATOM 447 C ALA A 56 -7.502 14.712 -1.818 1.00 0.00 C ATOM 448 O ALA A 56 -7.609 13.805 -2.643 1.00 0.00 O ATOM 449 CB ALA A 56 -8.910 14.136 0.220 1.00 0.00 C ATOM 0 H ALA A 56 -7.556 16.281 0.608 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.919 13.495 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.354 13.299 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.853 13.894 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.527 15.024 0.083 1.00 0.00 H new ATOM 450 N VAL A 57 -7.379 15.994 -2.126 1.00 0.00 N ATOM 451 CA VAL A 57 -7.363 16.433 -3.511 1.00 0.00 C ATOM 452 C VAL A 57 -6.134 15.852 -4.211 1.00 0.00 C ATOM 453 O VAL A 57 -6.199 15.480 -5.383 1.00 0.00 O ATOM 454 CB VAL A 57 -7.421 17.962 -3.576 1.00 0.00 C ATOM 455 CG1 VAL A 57 -6.043 18.574 -3.319 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.989 18.431 -4.917 1.00 0.00 C ATOM 0 H VAL A 57 -7.289 16.744 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.243 16.064 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.092 18.307 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.112 19.661 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.693 18.279 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.341 18.219 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.020 19.520 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.355 18.070 -5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.997 18.037 -5.043 1.00 0.00 H new ATOM 457 N LEU A 58 -5.041 15.791 -3.465 1.00 0.00 N ATOM 458 CA LEU A 58 -3.798 15.260 -4.000 1.00 0.00 C ATOM 459 C LEU A 58 -3.819 13.733 -3.910 1.00 0.00 C ATOM 460 O LEU A 58 -3.101 13.054 -4.642 1.00 0.00 O ATOM 461 CB LEU A 58 -2.597 15.900 -3.300 1.00 0.00 C ATOM 462 CG LEU A 58 -2.730 16.102 -1.789 1.00 0.00 C ATOM 463 CD1 LEU A 58 -2.845 14.759 -1.065 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.577 16.948 -1.245 1.00 0.00 C ATOM 0 H LEU A 58 -4.990 16.100 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.698 15.516 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.720 15.281 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.407 16.869 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.651 16.652 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.938 14.931 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.725 14.226 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.954 14.163 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.696 17.076 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.631 16.447 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.582 17.924 -1.730 1.00 0.00 H new ATOM 465 N ARG A 59 -4.652 13.238 -3.006 1.00 0.00 N ATOM 466 CA ARG A 59 -4.777 11.803 -2.810 1.00 0.00 C ATOM 467 C ARG A 59 -5.845 11.231 -3.745 1.00 0.00 C ATOM 468 O ARG A 59 -5.948 10.016 -3.906 1.00 0.00 O ATOM 469 CB ARG A 59 -5.146 11.474 -1.363 1.00 0.00 C ATOM 470 CG ARG A 59 -3.949 11.676 -0.432 1.00 0.00 C ATOM 471 CD ARG A 59 -4.158 10.945 0.896 1.00 0.00 C ATOM 472 NE ARG A 59 -4.798 11.850 1.876 1.00 0.00 N ATOM 473 CZ ARG A 59 -5.085 11.507 3.140 1.00 0.00 C ATOM 0 H ARG A 59 -5.247 13.805 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.811 11.352 -3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.972 12.108 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.492 10.442 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.043 11.310 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.803 12.740 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.781 10.064 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.201 10.595 1.283 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.036 12.794 1.571 1.00 0.00 H new ATOM 474 N ASN A 60 -6.613 12.134 -4.336 1.00 0.00 N ATOM 475 CA ASN A 60 -7.670 11.735 -5.250 1.00 0.00 C ATOM 476 C ASN A 60 -7.097 11.613 -6.663 1.00 0.00 C ATOM 477 O ASN A 60 -7.468 10.708 -7.410 1.00 0.00 O ATOM 478 CB ASN A 60 -8.792 12.774 -5.283 1.00 0.00 C ATOM 479 CG ASN A 60 -10.095 12.193 -4.731 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.486 11.078 -5.037 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.745 13.007 -3.905 1.00 0.00 N ATOM 0 H ASN A 60 -6.525 13.141 -4.200 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.072 10.782 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.502 13.646 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.947 13.115 -6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.626 12.711 -3.486 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.362 13.928 -3.691 1.00 0.00 H new ATOM 482 N LYS A 61 -6.203 12.535 -6.987 1.00 0.00 N ATOM 483 CA LYS A 61 -5.575 12.542 -8.297 1.00 0.00 C ATOM 484 C LYS A 61 -4.601 11.367 -8.397 1.00 0.00 C ATOM 485 O LYS A 61 -4.483 10.742 -9.450 1.00 0.00 O ATOM 486 CB LYS A 61 -4.930 13.901 -8.574 1.00 0.00 C ATOM 487 CG LYS A 61 -5.053 14.275 -10.053 1.00 0.00 C ATOM 488 CD LYS A 61 -5.950 15.500 -10.237 1.00 0.00 C ATOM 489 CE LYS A 61 -6.047 15.893 -11.712 1.00 0.00 C ATOM 490 NZ LYS A 61 -5.871 17.354 -11.872 1.00 0.00 N ATOM 0 H LYS A 61 -5.898 13.283 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.322 12.404 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.407 14.666 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.878 13.874 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.064 14.479 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.462 13.433 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.946 15.288 -9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.553 16.335 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.286 15.364 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.015 15.591 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.940 17.604 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.612 17.853 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.937 17.633 -11.509 1.00 0.00 H new ATOM 491 N ILE A 62 -3.928 11.102 -7.287 1.00 0.00 N ATOM 492 CA ILE A 62 -2.967 10.012 -7.236 1.00 0.00 C ATOM 493 C ILE A 62 -3.713 8.678 -7.307 1.00 0.00 C ATOM 494 O ILE A 62 -3.158 7.676 -7.758 1.00 0.00 O ATOM 495 CB ILE A 62 -2.066 10.149 -6.008 1.00 0.00 C ATOM 496 CG1 ILE A 62 -1.208 11.412 -6.096 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.218 8.892 -5.808 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.645 11.790 -4.724 1.00 0.00 C ATOM 0 H ILE A 62 -4.029 11.623 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.300 10.051 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.701 10.252 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.389 11.251 -6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.806 12.235 -6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.586 9.015 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.871 8.031 -5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.591 8.733 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.039 12.691 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.467 11.974 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.028 10.975 -4.347 1.00 0.00 H new ATOM 499 N LYS A 63 -4.958 8.707 -6.854 1.00 0.00 N ATOM 500 CA LYS A 63 -5.784 7.512 -6.861 1.00 0.00 C ATOM 501 C LYS A 63 -6.549 7.433 -8.183 1.00 0.00 C ATOM 502 O LYS A 63 -6.349 6.506 -8.966 1.00 0.00 O ATOM 503 CB LYS A 63 -6.686 7.478 -5.625 1.00 0.00 C ATOM 504 CG LYS A 63 -6.964 6.038 -5.189 1.00 0.00 C ATOM 505 CD LYS A 63 -7.731 6.005 -3.865 1.00 0.00 C ATOM 506 CE LYS A 63 -9.063 5.269 -4.023 1.00 0.00 C ATOM 507 NZ LYS A 63 -10.152 6.018 -3.358 1.00 0.00 N ATOM 0 H LYS A 63 -5.414 9.539 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.162 6.619 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.212 8.024 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.627 7.984 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.540 5.525 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.023 5.498 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.127 5.513 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.912 7.023 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.293 5.145 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.986 4.270 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.049 5.504 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.938 6.115 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.236 6.962 -3.786 1.00 0.00 H new ATOM 508 N ARG A 64 -7.410 8.418 -8.392 1.00 0.00 N ATOM 509 CA ARG A 64 -8.207 8.472 -9.606 1.00 0.00 C ATOM 510 C ARG A 64 -7.376 8.012 -10.806 1.00 0.00 C ATOM 511 O ARG A 64 -7.853 7.241 -11.638 1.00 0.00 O ATOM 512 CB ARG A 64 -8.722 9.889 -9.864 1.00 0.00 C ATOM 513 CG ARG A 64 -7.669 10.733 -10.585 1.00 0.00 C ATOM 514 CD ARG A 64 -8.172 12.160 -10.812 1.00 0.00 C ATOM 515 NE ARG A 64 -8.944 12.231 -12.073 1.00 0.00 N ATOM 516 CZ ARG A 64 -9.868 13.164 -12.337 1.00 0.00 C ATOM 0 H ARG A 64 -7.573 9.186 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.060 7.807 -9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.631 9.846 -10.464 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.986 10.361 -8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.751 10.756 -9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.423 10.274 -11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.797 12.471 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.329 12.849 -10.853 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.761 11.525 -12.786 1.00 0.00 H new ATOM 517 N ALA A 65 -6.147 8.505 -10.858 1.00 0.00 N ATOM 518 CA ALA A 65 -5.245 8.155 -11.943 1.00 0.00 C ATOM 519 C ALA A 65 -4.957 6.653 -11.895 1.00 0.00 C ATOM 520 O ALA A 65 -5.032 5.971 -12.915 1.00 0.00 O ATOM 521 CB ALA A 65 -3.972 8.997 -11.840 1.00 0.00 C ATOM 0 H ALA A 65 -5.755 9.144 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.702 8.373 -12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.295 8.735 -12.653 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.229 10.054 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.484 8.803 -10.885 1.00 0.00 H new ATOM 522 N ILE A 66 -4.632 6.183 -10.699 1.00 0.00 N ATOM 523 CA ILE A 66 -4.331 4.775 -10.506 1.00 0.00 C ATOM 524 C ILE A 66 -5.444 3.929 -11.128 1.00 0.00 C ATOM 525 O ILE A 66 -5.172 2.975 -11.854 1.00 0.00 O ATOM 526 CB ILE A 66 -4.088 4.478 -9.024 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.710 4.975 -8.584 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.283 2.990 -8.725 1.00 0.00 C ATOM 529 CD1 ILE A 66 -2.596 4.996 -7.059 1.00 0.00 C ATOM 0 H ILE A 66 -4.571 6.752 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.406 4.510 -11.017 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.829 5.024 -8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.937 4.330 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.537 5.976 -8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.105 2.805 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.303 2.699 -8.977 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.581 2.405 -9.319 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.607 5.353 -6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.355 5.661 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.745 3.989 -6.669 1.00 0.00 H new ATOM 530 N ARG A 67 -6.676 4.312 -10.821 1.00 0.00 N ATOM 531 CA ARG A 67 -7.831 3.601 -11.342 1.00 0.00 C ATOM 532 C ARG A 67 -8.202 4.133 -12.727 1.00 0.00 C ATOM 533 O ARG A 67 -9.280 3.839 -13.240 1.00 0.00 O ATOM 534 CB ARG A 67 -9.034 3.748 -10.407 1.00 0.00 C ATOM 535 CG ARG A 67 -9.501 5.204 -10.340 1.00 0.00 C ATOM 536 CD ARG A 67 -10.974 5.289 -9.935 1.00 0.00 C ATOM 537 NE ARG A 67 -11.786 5.754 -11.082 1.00 0.00 N ATOM 538 CZ ARG A 67 -13.072 6.123 -10.992 1.00 0.00 C ATOM 0 H ARG A 67 -6.898 5.105 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.567 2.546 -11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.850 3.116 -10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.768 3.401 -9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.891 5.753 -9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.359 5.680 -11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.325 4.313 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.090 5.974 -9.095 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.339 5.796 -11.998 1.00 0.00 H new ATOM 539 N GLU A 68 -7.287 4.907 -13.293 1.00 0.00 N ATOM 540 CA GLU A 68 -7.504 5.483 -14.610 1.00 0.00 C ATOM 541 C GLU A 68 -6.686 4.729 -15.660 1.00 0.00 C ATOM 542 O GLU A 68 -7.073 4.667 -16.826 1.00 0.00 O ATOM 543 CB GLU A 68 -7.167 6.975 -14.618 1.00 0.00 C ATOM 544 CG GLU A 68 -7.492 7.603 -15.975 1.00 0.00 C ATOM 545 CD GLU A 68 -8.444 8.789 -15.816 1.00 0.00 C ATOM 546 OE1 GLU A 68 -9.604 8.537 -15.426 1.00 0.00 O ATOM 547 OE2 GLU A 68 -7.990 9.922 -16.088 1.00 0.00 O ATOM 0 H GLU A 68 -6.394 5.149 -12.864 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.560 5.382 -14.860 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.729 7.483 -13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.110 7.114 -14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.572 7.933 -16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.943 6.855 -16.627 1.00 0.00 H new ATOM 548 N ASN A 69 -5.570 4.176 -15.209 1.00 0.00 N ATOM 549 CA ASN A 69 -4.694 3.429 -16.095 1.00 0.00 C ATOM 550 C ASN A 69 -4.955 1.932 -15.922 1.00 0.00 C ATOM 551 O ASN A 69 -5.243 1.231 -16.892 1.00 0.00 O ATOM 552 CB ASN A 69 -3.223 3.693 -15.766 1.00 0.00 C ATOM 553 CG ASN A 69 -2.579 4.599 -16.819 1.00 0.00 C ATOM 554 OD1 ASN A 69 -2.838 4.240 -18.073 1.00 0.00 O flip ATOM 555 ND2 ASN A 69 -1.894 5.561 -16.512 1.00 0.00 N flip ATOM 0 H ASN A 69 -5.252 4.230 -14.241 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.898 3.747 -17.117 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.144 4.158 -14.784 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.683 2.748 -15.715 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.735 5.781 -15.529 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.481 6.145 -17.239 1.00 0.00 H new ATOM 556 N PHE A 70 -4.846 1.485 -14.680 1.00 0.00 N ATOM 557 CA PHE A 70 -5.067 0.083 -14.367 1.00 0.00 C ATOM 558 C PHE A 70 -6.099 -0.534 -15.314 1.00 0.00 C ATOM 559 O PHE A 70 -5.948 -1.678 -15.741 1.00 0.00 O ATOM 560 CB PHE A 70 -5.607 0.024 -12.937 1.00 0.00 C ATOM 561 CG PHE A 70 -4.567 -0.398 -11.896 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.785 -1.488 -12.120 1.00 0.00 C ATOM 563 CD2 PHE A 70 -4.425 0.317 -10.748 1.00 0.00 C ATOM 564 CE1 PHE A 70 -2.820 -1.879 -11.154 1.00 0.00 C ATOM 565 CE2 PHE A 70 -3.460 -0.074 -9.782 1.00 0.00 C ATOM 566 CZ PHE A 70 -2.678 -1.164 -10.006 1.00 0.00 C ATOM 0 H PHE A 70 -4.608 2.069 -13.878 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.136 -0.473 -14.474 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.999 1.004 -12.667 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.443 -0.674 -12.904 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.898 -2.056 -13.032 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.046 1.182 -10.571 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.199 -2.744 -11.331 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.347 0.494 -8.870 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.944 -1.462 -9.272 1.00 0.00 H new ATOM 567 N LYS A 71 -7.123 0.251 -15.614 1.00 0.00 N ATOM 568 CA LYS A 71 -8.179 -0.204 -16.503 1.00 0.00 C ATOM 569 C LYS A 71 -7.569 -0.606 -17.848 1.00 0.00 C ATOM 570 O LYS A 71 -7.586 -1.781 -18.214 1.00 0.00 O ATOM 571 CB LYS A 71 -9.277 0.856 -16.618 1.00 0.00 C ATOM 572 CG LYS A 71 -10.652 0.256 -16.319 1.00 0.00 C ATOM 573 CD LYS A 71 -11.074 0.544 -14.877 1.00 0.00 C ATOM 574 CE LYS A 71 -12.458 -0.039 -14.584 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.659 -0.187 -13.126 1.00 0.00 N ATOM 0 H LYS A 71 -7.244 1.199 -15.258 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.665 -1.090 -16.095 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.074 1.672 -15.924 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.273 1.282 -17.621 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.390 0.668 -17.007 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.627 -0.821 -16.486 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.343 0.119 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.085 1.620 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.228 0.611 -14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.562 -1.008 -15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.603 -0.584 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.935 -0.825 -12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.581 0.744 -12.669 1.00 0.00 H new ATOM 576 N VAL A 72 -7.046 0.391 -18.546 1.00 0.00 N ATOM 577 CA VAL A 72 -6.432 0.155 -19.842 1.00 0.00 C ATOM 578 C VAL A 72 -5.348 -0.914 -19.701 1.00 0.00 C ATOM 579 O VAL A 72 -5.173 -1.748 -20.588 1.00 0.00 O ATOM 580 CB VAL A 72 -5.905 1.470 -20.418 1.00 0.00 C ATOM 581 CG1 VAL A 72 -7.009 2.528 -20.470 1.00 0.00 C ATOM 582 CG2 VAL A 72 -4.701 1.974 -19.620 1.00 0.00 C ATOM 0 H VAL A 72 -7.035 1.364 -18.239 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.169 -0.222 -20.551 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.575 1.280 -21.439 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.607 3.453 -20.884 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.824 2.173 -21.100 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.383 2.713 -19.463 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.345 2.910 -20.050 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.995 2.139 -18.583 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.904 1.232 -19.657 1.00 0.00 H new ATOM 583 N HIS A 73 -4.645 -0.855 -18.579 1.00 0.00 N ATOM 584 CA HIS A 73 -3.581 -1.807 -18.311 1.00 0.00 C ATOM 585 C HIS A 73 -4.186 -3.183 -18.022 1.00 0.00 C ATOM 586 O HIS A 73 -3.501 -4.200 -18.129 1.00 0.00 O ATOM 587 CB HIS A 73 -2.677 -1.309 -17.181 1.00 0.00 C ATOM 588 CG HIS A 73 -1.860 -0.091 -17.541 1.00 0.00 C ATOM 589 ND1 HIS A 73 -0.492 -0.140 -17.743 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.232 1.206 -17.734 1.00 0.00 C ATOM 591 CE1 HIS A 73 -0.069 1.080 -18.042 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.150 1.913 -18.035 1.00 0.00 N ATOM 0 H HIS A 73 -4.792 -0.162 -17.845 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.945 -1.904 -19.191 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.293 -1.077 -16.312 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.002 -2.113 -16.888 1.00 0.00 H new ATOM 0 HD1 HIS A 73 0.092 -0.974 -17.674 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.237 1.593 -17.655 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.951 1.365 -18.254 1.00 0.00 H new ATOM 593 N LYS A 74 -5.461 -3.171 -17.664 1.00 0.00 N ATOM 594 CA LYS A 74 -6.164 -4.405 -17.362 1.00 0.00 C ATOM 595 C LYS A 74 -6.285 -5.245 -18.634 1.00 0.00 C ATOM 596 O LYS A 74 -6.538 -6.447 -18.568 1.00 0.00 O ATOM 597 CB LYS A 74 -7.507 -4.105 -16.693 1.00 0.00 C ATOM 598 CG LYS A 74 -8.087 -5.361 -16.038 1.00 0.00 C ATOM 599 CD LYS A 74 -9.377 -5.798 -16.735 1.00 0.00 C ATOM 600 CE LYS A 74 -10.424 -6.252 -15.715 1.00 0.00 C ATOM 601 NZ LYS A 74 -10.910 -5.099 -14.923 1.00 0.00 N ATOM 0 H LYS A 74 -6.025 -2.326 -17.576 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.600 -4.998 -16.642 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.377 -3.326 -15.942 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.208 -3.720 -17.433 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.356 -6.168 -16.080 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.287 -5.167 -14.984 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.773 -4.972 -17.326 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.163 -6.611 -17.428 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.260 -6.726 -16.229 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.993 -7.001 -15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.849 -5.317 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.248 -4.909 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.975 -4.260 -15.535 1.00 0.00 H new ATOM 602 N SER A 75 -6.099 -4.579 -19.764 1.00 0.00 N ATOM 603 CA SER A 75 -6.183 -5.249 -21.051 1.00 0.00 C ATOM 604 C SER A 75 -4.801 -5.753 -21.470 1.00 0.00 C ATOM 605 O SER A 75 -4.461 -5.731 -22.653 1.00 0.00 O ATOM 606 CB SER A 75 -6.756 -4.317 -22.120 1.00 0.00 C ATOM 607 OG SER A 75 -8.044 -4.739 -22.562 1.00 0.00 O ATOM 0 H SER A 75 -5.890 -3.582 -19.815 1.00 0.00 H new ATOM 0 HA SER A 75 -6.857 -6.100 -20.951 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.823 -3.305 -21.720 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.075 -4.279 -22.970 1.00 0.00 H new ATOM 0 HG SER A 75 -8.376 -4.117 -23.243 1.00 0.00 H new ATOM 608 N HIS A 76 -4.041 -6.194 -20.479 1.00 0.00 N ATOM 609 CA HIS A 76 -2.704 -6.703 -20.731 1.00 0.00 C ATOM 610 C HIS A 76 -2.108 -7.246 -19.430 1.00 0.00 C ATOM 611 O HIS A 76 -1.376 -8.235 -19.443 1.00 0.00 O ATOM 612 CB HIS A 76 -1.828 -5.630 -21.382 1.00 0.00 C ATOM 613 CG HIS A 76 -1.245 -4.637 -20.404 1.00 0.00 C ATOM 614 ND1 HIS A 76 -0.581 -4.830 -19.228 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -1.316 -3.269 -20.593 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -0.262 -3.643 -18.727 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -0.718 -2.674 -19.572 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.326 -6.209 -19.500 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.753 -7.529 -21.440 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.014 -6.117 -21.919 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.420 -5.091 -22.122 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.780 -2.770 -21.431 1.00 0.00 H new ATOM 0 HE1 HIS A 76 0.271 -3.472 -17.803 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -0.616 -1.668 -19.441 1.00 0.00 H new ATOM 618 N ILE A 77 -2.444 -6.575 -18.338 1.00 0.00 N ATOM 619 CA ILE A 77 -1.950 -6.978 -17.032 1.00 0.00 C ATOM 620 C ILE A 77 -2.080 -8.496 -16.889 1.00 0.00 C ATOM 621 O ILE A 77 -3.065 -9.084 -17.334 1.00 0.00 O ATOM 622 CB ILE A 77 -2.660 -6.193 -15.926 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.657 -5.661 -14.902 1.00 0.00 C ATOM 624 CG2 ILE A 77 -3.755 -7.037 -15.271 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.424 -4.161 -15.090 1.00 0.00 C ATOM 0 H ILE A 77 -3.052 -5.756 -18.331 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.891 -6.737 -16.933 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.147 -5.329 -16.379 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.025 -5.852 -13.894 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.712 -6.195 -15.002 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.244 -6.456 -14.489 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.491 -7.325 -16.022 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.312 -7.932 -14.835 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.707 -3.809 -14.349 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.033 -3.976 -16.090 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.366 -3.628 -14.965 1.00 0.00 H new ATOM 626 N LEU A 78 -1.072 -9.088 -16.265 1.00 0.00 N ATOM 627 CA LEU A 78 -1.061 -10.526 -16.058 1.00 0.00 C ATOM 628 C LEU A 78 -1.128 -10.821 -14.558 1.00 0.00 C ATOM 629 O LEU A 78 -1.151 -9.901 -13.741 1.00 0.00 O ATOM 630 CB LEU A 78 0.145 -11.158 -16.754 1.00 0.00 C ATOM 631 CG LEU A 78 1.354 -10.245 -16.966 1.00 0.00 C ATOM 632 CD1 LEU A 78 1.071 -9.202 -18.049 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.789 -9.598 -15.648 1.00 0.00 C ATOM 0 H LEU A 78 -0.257 -8.598 -15.896 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.939 -10.983 -16.514 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.465 -12.021 -16.170 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.177 -11.532 -17.726 1.00 0.00 H new ATOM 0 HG LEU A 78 2.186 -10.856 -17.317 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.947 -8.566 -18.180 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.845 -9.706 -18.989 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.220 -8.590 -17.751 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.650 -8.954 -15.826 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.968 -9.004 -15.246 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.059 -10.375 -14.933 1.00 0.00 H new ATOM 634 N ALA A 79 -1.158 -12.107 -14.241 1.00 0.00 N ATOM 635 CA ALA A 79 -1.222 -12.534 -12.854 1.00 0.00 C ATOM 636 C ALA A 79 0.083 -12.159 -12.148 1.00 0.00 C ATOM 637 O ALA A 79 1.169 -12.449 -12.648 1.00 0.00 O ATOM 638 CB ALA A 79 -1.506 -14.038 -12.795 1.00 0.00 C ATOM 0 H ALA A 79 -1.139 -12.867 -14.921 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.035 -12.028 -12.334 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.554 -14.359 -11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.457 -14.248 -13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.709 -14.579 -13.305 1.00 0.00 H new ATOM 639 N LYS A 80 -0.067 -11.522 -10.997 1.00 0.00 N ATOM 640 CA LYS A 80 1.086 -11.105 -10.216 1.00 0.00 C ATOM 641 C LYS A 80 0.668 -9.996 -9.249 1.00 0.00 C ATOM 642 O LYS A 80 0.339 -8.889 -9.673 1.00 0.00 O ATOM 643 CB LYS A 80 2.242 -10.713 -11.138 1.00 0.00 C ATOM 644 CG LYS A 80 3.265 -11.846 -11.248 1.00 0.00 C ATOM 645 CD LYS A 80 4.054 -11.747 -12.555 1.00 0.00 C ATOM 646 CE LYS A 80 5.375 -11.006 -12.343 1.00 0.00 C ATOM 647 NZ LYS A 80 5.573 -9.986 -13.397 1.00 0.00 N ATOM 0 H LYS A 80 -0.969 -11.284 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 80 1.456 -11.933 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.856 -10.470 -12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.728 -9.815 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.950 -11.805 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.754 -12.808 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.252 -12.747 -12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.458 -11.228 -13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.378 -10.530 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.203 -11.715 -12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.475 -9.493 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.591 -10.448 -14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.792 -9.299 -13.367 1.00 0.00 H new ATOM 648 N ASP A 81 0.692 -10.331 -7.968 1.00 0.00 N ATOM 649 CA ASP A 81 0.320 -9.378 -6.936 1.00 0.00 C ATOM 650 C ASP A 81 1.037 -8.051 -7.192 1.00 0.00 C ATOM 651 O ASP A 81 2.266 -8.003 -7.229 1.00 0.00 O ATOM 652 CB ASP A 81 0.729 -9.878 -5.550 1.00 0.00 C ATOM 653 CG ASP A 81 0.119 -9.108 -4.378 1.00 0.00 C ATOM 654 OD1 ASP A 81 -0.393 -7.997 -4.634 1.00 0.00 O ATOM 655 OD2 ASP A 81 0.177 -9.647 -3.252 1.00 0.00 O ATOM 0 H ASP A 81 0.964 -11.251 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.762 -9.252 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.447 -10.927 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.815 -9.831 -5.470 1.00 0.00 H new ATOM 656 N ILE A 82 0.240 -7.007 -7.360 1.00 0.00 N ATOM 657 CA ILE A 82 0.783 -5.684 -7.611 1.00 0.00 C ATOM 658 C ILE A 82 0.177 -4.691 -6.616 1.00 0.00 C ATOM 659 O ILE A 82 -0.907 -4.925 -6.082 1.00 0.00 O ATOM 660 CB ILE A 82 0.579 -5.288 -9.075 1.00 0.00 C ATOM 661 CG1 ILE A 82 1.102 -3.875 -9.340 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.887 -5.443 -9.485 1.00 0.00 C ATOM 663 CD1 ILE A 82 0.008 -2.831 -9.103 1.00 0.00 C ATOM 0 H ILE A 82 -0.779 -7.051 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 82 1.861 -5.680 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 82 1.162 -5.968 -9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.952 -3.670 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.462 -3.803 -10.366 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.005 -5.155 -10.530 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.192 -6.482 -9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.509 -4.803 -8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.407 -1.836 -9.298 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.830 -3.024 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.332 -2.889 -8.069 1.00 0.00 H new ATOM 664 N ILE A 83 0.903 -3.605 -6.396 1.00 0.00 N ATOM 665 CA ILE A 83 0.450 -2.576 -5.475 1.00 0.00 C ATOM 666 C ILE A 83 1.097 -1.241 -5.850 1.00 0.00 C ATOM 667 O ILE A 83 2.319 -1.147 -5.957 1.00 0.00 O ATOM 668 CB ILE A 83 0.711 -3.000 -4.029 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.029 -4.334 -3.717 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.292 -1.901 -3.050 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.163 -4.686 -2.234 1.00 0.00 C ATOM 0 H ILE A 83 1.802 -3.415 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.629 -2.442 -5.555 1.00 0.00 H new ATOM 0 HB ILE A 83 1.784 -3.149 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.026 -4.279 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.473 -5.124 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.488 -2.229 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.861 -0.994 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.772 -1.696 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.330 -5.638 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.218 -4.764 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.303 -3.907 -1.631 1.00 0.00 H new ATOM 672 N VAL A 84 0.248 -0.241 -6.039 1.00 0.00 N ATOM 673 CA VAL A 84 0.721 1.084 -6.399 1.00 0.00 C ATOM 674 C VAL A 84 0.580 2.017 -5.195 1.00 0.00 C ATOM 675 O VAL A 84 -0.507 2.153 -4.635 1.00 0.00 O ATOM 676 CB VAL A 84 -0.024 1.588 -7.637 1.00 0.00 C ATOM 677 CG1 VAL A 84 -0.247 0.456 -8.641 1.00 0.00 C ATOM 678 CG2 VAL A 84 -1.350 2.245 -7.247 1.00 0.00 C ATOM 0 H VAL A 84 -0.765 -0.323 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 84 1.778 1.053 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 84 0.596 2.344 -8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.778 0.841 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.716 0.052 -8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.838 -0.333 -8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.860 2.595 -8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.978 1.518 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.157 3.090 -6.587 1.00 0.00 H new ATOM 679 N ILE A 85 1.694 2.636 -4.832 1.00 0.00 N ATOM 680 CA ILE A 85 1.707 3.552 -3.704 1.00 0.00 C ATOM 681 C ILE A 85 2.210 4.920 -4.169 1.00 0.00 C ATOM 682 O ILE A 85 3.057 5.004 -5.058 1.00 0.00 O ATOM 683 CB ILE A 85 2.513 2.962 -2.545 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.464 1.433 -2.564 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.045 3.534 -1.205 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.557 0.861 -3.469 1.00 0.00 C ATOM 0 H ILE A 85 2.594 2.521 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 85 0.698 3.697 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 85 3.556 3.252 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.587 1.049 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.486 1.101 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.634 3.098 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.175 4.616 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.992 3.295 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.500 -0.228 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.416 1.228 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.534 1.175 -3.102 1.00 0.00 H new ATOM 687 N ALA A 86 1.668 5.957 -3.548 1.00 0.00 N ATOM 688 CA ALA A 86 2.051 7.316 -3.889 1.00 0.00 C ATOM 689 C ALA A 86 3.354 7.670 -3.168 1.00 0.00 C ATOM 690 O ALA A 86 3.382 7.770 -1.942 1.00 0.00 O ATOM 691 CB ALA A 86 0.910 8.272 -3.532 1.00 0.00 C ATOM 0 H ALA A 86 0.967 5.883 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 86 2.231 7.407 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.197 9.292 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.016 7.996 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.704 8.210 -2.463 1.00 0.00 H new ATOM 692 N ARG A 87 4.400 7.849 -3.960 1.00 0.00 N ATOM 693 CA ARG A 87 5.703 8.189 -3.413 1.00 0.00 C ATOM 694 C ARG A 87 5.545 9.085 -2.183 1.00 0.00 C ATOM 695 O ARG A 87 5.418 8.593 -1.064 1.00 0.00 O ATOM 696 CB ARG A 87 6.566 8.908 -4.452 1.00 0.00 C ATOM 697 CG ARG A 87 7.506 7.928 -5.158 1.00 0.00 C ATOM 698 CD ARG A 87 8.688 7.560 -4.259 1.00 0.00 C ATOM 699 NE ARG A 87 9.842 7.143 -5.087 1.00 0.00 N ATOM 700 CZ ARG A 87 10.972 6.619 -4.591 1.00 0.00 C ATOM 0 H ARG A 87 4.372 7.765 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 87 6.196 7.259 -3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.926 9.396 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.149 9.691 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.958 7.026 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.873 8.372 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.964 8.413 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.404 6.753 -3.583 1.00 0.00 H new ATOM 0 HE ARG A 87 9.773 7.262 -6.098 1.00 0.00 H new ATOM 701 N GLN A 88 5.557 10.387 -2.433 1.00 0.00 N ATOM 702 CA GLN A 88 5.417 11.357 -1.361 1.00 0.00 C ATOM 703 C GLN A 88 5.334 12.773 -1.932 1.00 0.00 C ATOM 704 O GLN A 88 4.362 13.487 -1.693 1.00 0.00 O ATOM 705 CB GLN A 88 6.567 11.236 -0.359 1.00 0.00 C ATOM 706 CG GLN A 88 6.059 10.771 1.007 1.00 0.00 C ATOM 707 CD GLN A 88 6.990 11.239 2.127 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.509 10.456 2.907 1.00 0.00 O ATOM 709 NE2 GLN A 88 7.171 12.555 2.165 1.00 0.00 N ATOM 0 H GLN A 88 5.662 10.792 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 88 4.490 11.148 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.308 10.530 -0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.067 12.199 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.055 11.160 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.986 9.684 1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.707 13.154 1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.774 12.966 2.877 1.00 0.00 H new ATOM 710 N PRO A 89 6.395 13.147 -2.698 1.00 0.00 N ATOM 711 CA PRO A 89 6.451 14.465 -3.306 1.00 0.00 C ATOM 712 C PRO A 89 5.507 14.555 -4.507 1.00 0.00 C ATOM 713 O PRO A 89 5.479 15.567 -5.205 1.00 0.00 O ATOM 714 CB PRO A 89 7.910 14.663 -3.681 1.00 0.00 C ATOM 715 CG PRO A 89 8.529 13.275 -3.695 1.00 0.00 C ATOM 716 CD PRO A 89 7.563 12.326 -3.004 1.00 0.00 C ATOM 0 HA PRO A 89 6.116 15.254 -2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.001 15.141 -4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.414 15.308 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.716 12.951 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.491 13.281 -3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.300 11.488 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.000 11.905 -2.098 1.00 0.00 H new ATOM 717 N ALA A 90 4.756 13.482 -4.712 1.00 0.00 N ATOM 718 CA ALA A 90 3.813 13.428 -5.816 1.00 0.00 C ATOM 719 C ALA A 90 2.476 14.023 -5.370 1.00 0.00 C ATOM 720 O ALA A 90 1.438 13.742 -5.967 1.00 0.00 O ATOM 721 CB ALA A 90 3.676 11.984 -6.300 1.00 0.00 C ATOM 0 H ALA A 90 4.782 12.643 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 90 4.173 14.021 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.969 11.943 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.647 11.619 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.315 11.359 -5.483 1.00 0.00 H new ATOM 722 N LYS A 91 2.545 14.833 -4.323 1.00 0.00 N ATOM 723 CA LYS A 91 1.353 15.470 -3.790 1.00 0.00 C ATOM 724 C LYS A 91 0.967 16.651 -4.684 1.00 0.00 C ATOM 725 O LYS A 91 -0.167 17.122 -4.640 1.00 0.00 O ATOM 726 CB LYS A 91 1.560 15.850 -2.323 1.00 0.00 C ATOM 727 CG LYS A 91 2.566 16.995 -2.189 1.00 0.00 C ATOM 728 CD LYS A 91 1.862 18.353 -2.238 1.00 0.00 C ATOM 729 CE LYS A 91 2.394 19.284 -1.146 1.00 0.00 C ATOM 730 NZ LYS A 91 1.677 19.053 0.127 1.00 0.00 N ATOM 0 H LYS A 91 3.408 15.062 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 91 0.513 14.776 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.608 16.145 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.914 14.983 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.110 16.897 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.301 16.933 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.012 18.810 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.788 18.215 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.462 19.115 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.273 20.322 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.221 19.465 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.739 19.500 0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.566 18.031 0.282 1.00 0.00 H new ATOM 731 N ASP A 92 1.936 17.095 -5.473 1.00 0.00 N ATOM 732 CA ASP A 92 1.711 18.212 -6.375 1.00 0.00 C ATOM 733 C ASP A 92 1.749 17.711 -7.819 1.00 0.00 C ATOM 734 O ASP A 92 2.007 18.482 -8.742 1.00 0.00 O ATOM 735 CB ASP A 92 2.800 19.275 -6.215 1.00 0.00 C ATOM 736 CG ASP A 92 2.287 20.689 -5.930 1.00 0.00 C ATOM 737 OD1 ASP A 92 2.027 21.409 -6.919 1.00 0.00 O ATOM 738 OD2 ASP A 92 2.166 21.017 -4.729 1.00 0.00 O ATOM 0 H ASP A 92 2.877 16.702 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 92 0.741 18.649 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.463 18.975 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.400 19.299 -7.125 1.00 0.00 H new ATOM 739 N MET A 93 1.487 16.421 -7.971 1.00 0.00 N ATOM 740 CA MET A 93 1.488 15.808 -9.288 1.00 0.00 C ATOM 741 C MET A 93 0.164 16.061 -10.012 1.00 0.00 C ATOM 742 O MET A 93 -0.621 16.912 -9.597 1.00 0.00 O ATOM 743 CB MET A 93 1.713 14.301 -9.150 1.00 0.00 C ATOM 744 CG MET A 93 2.940 13.853 -9.947 1.00 0.00 C ATOM 745 SD MET A 93 2.888 12.089 -10.211 1.00 0.00 S ATOM 746 CE MET A 93 1.749 11.617 -8.919 1.00 0.00 C ATOM 0 H MET A 93 1.273 15.784 -7.204 1.00 0.00 H new ATOM 0 HA MET A 93 2.292 16.253 -9.874 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.845 14.044 -8.099 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.831 13.765 -9.501 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.970 14.371 -10.905 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.850 14.122 -9.411 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.750 10.532 -8.811 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.055 12.075 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.745 11.955 -9.177 1.00 0.00 H new ATOM 747 N THR A 94 -0.043 15.308 -11.082 1.00 0.00 N ATOM 748 CA THR A 94 -1.259 15.441 -11.868 1.00 0.00 C ATOM 749 C THR A 94 -1.559 14.137 -12.610 1.00 0.00 C ATOM 750 O THR A 94 -0.643 13.437 -13.037 1.00 0.00 O ATOM 751 CB THR A 94 -1.091 16.645 -12.797 1.00 0.00 C ATOM 752 OG1 THR A 94 0.280 16.598 -13.182 1.00 0.00 O ATOM 753 CG2 THR A 94 -1.227 17.978 -12.060 1.00 0.00 C ATOM 0 H THR A 94 0.611 14.603 -11.424 1.00 0.00 H new ATOM 0 HA THR A 94 -2.125 15.622 -11.231 1.00 0.00 H new ATOM 0 HB THR A 94 -1.834 16.595 -13.593 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.476 17.343 -13.787 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.099 18.799 -12.766 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.215 18.042 -11.604 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.464 18.044 -11.284 1.00 0.00 H new ATOM 754 N THR A 95 -2.846 13.851 -12.740 1.00 0.00 N ATOM 755 CA THR A 95 -3.280 12.644 -13.423 1.00 0.00 C ATOM 756 C THR A 95 -2.472 12.438 -14.705 1.00 0.00 C ATOM 757 O THR A 95 -2.338 11.313 -15.186 1.00 0.00 O ATOM 758 CB THR A 95 -4.786 12.752 -13.664 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.367 12.305 -12.441 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.287 11.746 -14.703 1.00 0.00 C ATOM 0 H THR A 95 -3.603 14.435 -12.384 1.00 0.00 H new ATOM 0 HA THR A 95 -3.097 11.758 -12.815 1.00 0.00 H new ATOM 0 HB THR A 95 -5.029 13.763 -13.991 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.154 11.755 -12.635 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.362 11.865 -14.836 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.782 11.922 -15.653 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.074 10.733 -14.361 1.00 0.00 H new ATOM 761 N LEU A 96 -1.953 13.541 -15.224 1.00 0.00 N ATOM 762 CA LEU A 96 -1.162 13.496 -16.442 1.00 0.00 C ATOM 763 C LEU A 96 0.210 12.893 -16.132 1.00 0.00 C ATOM 764 O LEU A 96 0.665 11.986 -16.828 1.00 0.00 O ATOM 765 CB LEU A 96 -1.092 14.881 -17.087 1.00 0.00 C ATOM 766 CG LEU A 96 0.020 15.086 -18.118 1.00 0.00 C ATOM 767 CD1 LEU A 96 0.212 13.832 -18.974 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.245 16.328 -18.971 1.00 0.00 C ATOM 0 H LEU A 96 -2.065 14.472 -14.823 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.636 12.849 -17.180 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.049 15.084 -17.568 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.969 15.622 -16.297 1.00 0.00 H new ATOM 0 HG LEU A 96 0.954 15.257 -17.583 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.008 14.004 -19.698 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.480 12.992 -18.333 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.715 13.605 -19.501 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.560 16.450 -19.695 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.192 16.212 -19.498 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.292 17.207 -18.329 1.00 0.00 H new ATOM 769 N GLN A 97 0.830 13.420 -15.085 1.00 0.00 N ATOM 770 CA GLN A 97 2.140 12.943 -14.676 1.00 0.00 C ATOM 771 C GLN A 97 2.048 11.500 -14.175 1.00 0.00 C ATOM 772 O GLN A 97 2.943 10.695 -14.429 1.00 0.00 O ATOM 773 CB GLN A 97 2.744 13.857 -13.606 1.00 0.00 C ATOM 774 CG GLN A 97 2.881 15.290 -14.122 1.00 0.00 C ATOM 775 CD GLN A 97 4.353 15.693 -14.239 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.939 16.266 -13.336 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.913 15.363 -15.399 1.00 0.00 N ATOM 0 H GLN A 97 0.450 14.171 -14.509 1.00 0.00 H new ATOM 0 HA GLN A 97 2.800 12.964 -15.543 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.115 13.846 -12.716 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.722 13.479 -13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.398 15.378 -15.095 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.366 15.974 -13.448 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.364 14.884 -16.112 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.892 15.589 -15.575 1.00 0.00 H new ATOM 778 N ILE A 98 0.959 11.217 -13.476 1.00 0.00 N ATOM 779 CA ILE A 98 0.739 9.886 -12.939 1.00 0.00 C ATOM 780 C ILE A 98 0.801 8.865 -14.077 1.00 0.00 C ATOM 781 O ILE A 98 1.392 7.797 -13.926 1.00 0.00 O ATOM 782 CB ILE A 98 -0.566 9.838 -12.141 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.497 10.760 -10.923 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.920 8.402 -11.755 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.863 11.381 -10.626 1.00 0.00 C ATOM 0 H ILE A 98 0.219 11.888 -13.269 1.00 0.00 H new ATOM 0 HA ILE A 98 1.527 9.626 -12.233 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.370 10.206 -12.778 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.153 10.197 -10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.234 11.549 -11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.851 8.397 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.040 7.802 -12.657 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.121 7.982 -11.144 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.785 12.032 -9.755 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.193 11.964 -11.486 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.586 10.591 -10.425 1.00 0.00 H new ATOM 786 N GLN A 99 0.185 9.230 -15.191 1.00 0.00 N ATOM 787 CA GLN A 99 0.162 8.360 -16.355 1.00 0.00 C ATOM 788 C GLN A 99 1.576 8.190 -16.917 1.00 0.00 C ATOM 789 O GLN A 99 1.908 7.138 -17.462 1.00 0.00 O ATOM 790 CB GLN A 99 -0.791 8.896 -17.423 1.00 0.00 C ATOM 791 CG GLN A 99 -2.145 9.270 -16.813 1.00 0.00 C ATOM 792 CD GLN A 99 -3.246 8.327 -17.301 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.583 7.387 -16.423 1.00 0.00 O flip ATOM 794 NE2 GLN A 99 -3.756 8.445 -18.404 1.00 0.00 N flip ATOM 0 H GLN A 99 -0.303 10.118 -15.313 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.207 7.382 -16.046 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.351 9.770 -17.903 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.933 8.144 -18.199 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.082 9.229 -15.726 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.396 10.297 -17.079 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.450 9.190 -19.030 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.488 7.799 -18.699 1.00 0.00 H new ATOM 795 N ASN A 100 2.369 9.240 -16.765 1.00 0.00 N ATOM 796 CA ASN A 100 3.738 9.220 -17.251 1.00 0.00 C ATOM 797 C ASN A 100 4.596 8.371 -16.310 1.00 0.00 C ATOM 798 O ASN A 100 5.527 7.699 -16.752 1.00 0.00 O ATOM 799 CB ASN A 100 4.330 10.630 -17.287 1.00 0.00 C ATOM 800 CG ASN A 100 4.316 11.194 -18.709 1.00 0.00 C ATOM 801 OD1 ASN A 100 4.768 10.572 -19.656 1.00 0.00 O ATOM 802 ND2 ASN A 100 3.774 12.405 -18.805 1.00 0.00 N ATOM 0 H ASN A 100 2.090 10.110 -16.312 1.00 0.00 H new ATOM 0 HA ASN A 100 3.732 8.805 -18.259 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.761 11.284 -16.627 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.353 10.609 -16.910 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.718 12.868 -19.712 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.414 12.870 -17.972 1.00 0.00 H new ATOM 803 N SER A 101 4.252 8.429 -15.032 1.00 0.00 N ATOM 804 CA SER A 101 4.979 7.673 -14.026 1.00 0.00 C ATOM 805 C SER A 101 4.600 6.193 -14.108 1.00 0.00 C ATOM 806 O SER A 101 5.472 5.330 -14.187 1.00 0.00 O ATOM 807 CB SER A 101 4.701 8.215 -12.623 1.00 0.00 C ATOM 808 OG SER A 101 5.864 8.786 -12.030 1.00 0.00 O ATOM 0 H SER A 101 3.479 8.988 -14.670 1.00 0.00 H new ATOM 0 HA SER A 101 6.046 7.779 -14.223 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.914 8.967 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.330 7.409 -11.990 1.00 0.00 H new ATOM 0 HG SER A 101 5.644 9.121 -11.136 1.00 0.00 H new ATOM 809 N LEU A 102 3.298 5.946 -14.086 1.00 0.00 N ATOM 810 CA LEU A 102 2.793 4.586 -14.157 1.00 0.00 C ATOM 811 C LEU A 102 3.379 3.892 -15.389 1.00 0.00 C ATOM 812 O LEU A 102 3.639 2.690 -15.364 1.00 0.00 O ATOM 813 CB LEU A 102 1.264 4.579 -14.117 1.00 0.00 C ATOM 814 CG LEU A 102 0.629 4.014 -12.844 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.303 5.039 -12.196 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.084 2.690 -13.129 1.00 0.00 C ATOM 0 H LEU A 102 2.578 6.665 -14.020 1.00 0.00 H new ATOM 0 HA LEU A 102 3.114 4.015 -13.286 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.912 5.602 -14.252 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.901 4.002 -14.967 1.00 0.00 H new ATOM 0 HG LEU A 102 1.424 3.804 -12.129 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.741 4.613 -11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.264 5.933 -11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.097 5.302 -12.895 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.527 2.310 -12.208 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.868 2.851 -13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.634 1.965 -13.513 1.00 0.00 H new ATOM 817 N GLU A 103 3.570 4.680 -16.437 1.00 0.00 N ATOM 818 CA GLU A 103 4.121 4.157 -17.675 1.00 0.00 C ATOM 819 C GLU A 103 5.596 3.793 -17.490 1.00 0.00 C ATOM 820 O GLU A 103 6.240 3.305 -18.416 1.00 0.00 O ATOM 821 CB GLU A 103 3.944 5.157 -18.820 1.00 0.00 C ATOM 822 CG GLU A 103 2.781 4.750 -19.729 1.00 0.00 C ATOM 823 CD GLU A 103 3.273 3.890 -20.895 1.00 0.00 C ATOM 824 OE1 GLU A 103 3.765 4.490 -21.875 1.00 0.00 O ATOM 825 OE2 GLU A 103 3.145 2.652 -20.780 1.00 0.00 O ATOM 0 H GLU A 103 3.353 5.676 -16.454 1.00 0.00 H new ATOM 0 HA GLU A 103 3.574 3.252 -17.938 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.762 6.152 -18.414 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.863 5.214 -19.403 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.040 4.197 -19.152 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.286 5.642 -20.113 1.00 0.00 H new ATOM 826 N HIS A 104 6.087 4.044 -16.285 1.00 0.00 N ATOM 827 CA HIS A 104 7.473 3.749 -15.965 1.00 0.00 C ATOM 828 C HIS A 104 7.532 2.804 -14.762 1.00 0.00 C ATOM 829 O HIS A 104 7.839 1.623 -14.911 1.00 0.00 O ATOM 830 CB HIS A 104 8.266 5.039 -15.747 1.00 0.00 C ATOM 831 CG HIS A 104 9.621 4.827 -15.114 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.061 3.866 -14.252 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 10.698 5.664 -15.350 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 11.338 4.102 -13.977 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 11.735 5.216 -14.657 1.00 0.00 N flip ATOM 0 H HIS A 104 5.549 4.449 -15.518 1.00 0.00 H new ATOM 0 HA HIS A 104 7.944 3.240 -16.805 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.399 5.538 -16.707 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.683 5.710 -15.116 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.694 6.534 -15.990 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.960 3.510 -13.323 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.666 5.631 -14.636 1.00 0.00 H new ATOM 836 N VAL A 105 7.235 3.363 -13.598 1.00 0.00 N ATOM 837 CA VAL A 105 7.250 2.585 -12.370 1.00 0.00 C ATOM 838 C VAL A 105 6.503 1.269 -12.595 1.00 0.00 C ATOM 839 O VAL A 105 7.028 0.195 -12.307 1.00 0.00 O ATOM 840 CB VAL A 105 6.673 3.413 -11.220 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.143 3.385 -11.239 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.214 2.929 -9.872 1.00 0.00 C ATOM 0 H VAL A 105 6.983 4.344 -13.479 1.00 0.00 H new ATOM 0 HA VAL A 105 8.273 2.333 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 105 6.991 4.447 -11.357 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.758 3.981 -10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.783 3.797 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.797 2.357 -11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.789 3.534 -9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.939 1.885 -9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.300 3.024 -9.861 1.00 0.00 H new ATOM 843 N LEU A 106 5.287 1.397 -13.106 1.00 0.00 N ATOM 844 CA LEU A 106 4.462 0.232 -13.373 1.00 0.00 C ATOM 845 C LEU A 106 5.067 -0.563 -14.533 1.00 0.00 C ATOM 846 O LEU A 106 5.097 -1.792 -14.499 1.00 0.00 O ATOM 847 CB LEU A 106 3.007 0.647 -13.606 1.00 0.00 C ATOM 848 CG LEU A 106 2.380 0.183 -14.922 1.00 0.00 C ATOM 849 CD1 LEU A 106 1.638 -1.143 -14.738 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.476 1.269 -15.511 1.00 0.00 C ATOM 0 H LEU A 106 4.854 2.290 -13.342 1.00 0.00 H new ATOM 0 HA LEU A 106 4.447 -0.429 -12.507 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.404 0.262 -12.784 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.949 1.735 -13.562 1.00 0.00 H new ATOM 0 HG LEU A 106 3.181 0.007 -15.639 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.202 -1.451 -15.688 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.337 -1.906 -14.395 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.847 -1.018 -13.999 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.043 0.914 -16.446 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.678 1.500 -14.806 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.063 2.167 -15.701 1.00 0.00 H new ATOM 851 N LYS A 107 5.533 0.172 -15.532 1.00 0.00 N ATOM 852 CA LYS A 107 6.137 -0.448 -16.699 1.00 0.00 C ATOM 853 C LYS A 107 7.270 -1.373 -16.251 1.00 0.00 C ATOM 854 O LYS A 107 7.398 -2.490 -16.752 1.00 0.00 O ATOM 855 CB LYS A 107 6.575 0.618 -17.706 1.00 0.00 C ATOM 856 CG LYS A 107 7.371 -0.006 -18.854 1.00 0.00 C ATOM 857 CD LYS A 107 8.863 -0.060 -18.520 1.00 0.00 C ATOM 858 CE LYS A 107 9.707 0.404 -19.708 1.00 0.00 C ATOM 859 NZ LYS A 107 11.145 0.171 -19.444 1.00 0.00 N ATOM 0 H LYS A 107 5.504 1.191 -15.557 1.00 0.00 H new ATOM 0 HA LYS A 107 5.408 -1.067 -17.222 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.699 1.130 -18.103 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.183 1.370 -17.203 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.002 -1.012 -19.052 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.219 0.574 -19.764 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.069 0.570 -17.655 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.142 -1.078 -18.247 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.405 -0.132 -20.608 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.532 1.464 -19.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.704 0.491 -20.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.433 0.702 -18.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.309 -0.844 -19.289 1.00 0.00 H new ATOM 860 N ILE A 108 8.063 -0.875 -15.315 1.00 0.00 N ATOM 861 CA ILE A 108 9.181 -1.643 -14.795 1.00 0.00 C ATOM 862 C ILE A 108 8.649 -2.825 -13.983 1.00 0.00 C ATOM 863 O ILE A 108 9.228 -3.910 -14.005 1.00 0.00 O ATOM 864 CB ILE A 108 10.135 -0.739 -14.011 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.706 0.362 -14.906 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.235 -1.557 -13.335 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.851 1.099 -14.208 1.00 0.00 C ATOM 0 H ILE A 108 7.954 0.052 -14.903 1.00 0.00 H new ATOM 0 HA ILE A 108 9.771 -2.057 -15.613 1.00 0.00 H new ATOM 0 HB ILE A 108 9.568 -0.249 -13.220 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.064 -0.073 -15.839 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.918 1.069 -15.165 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.899 -0.890 -12.785 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.785 -2.271 -12.645 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.806 -2.094 -14.092 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.238 1.876 -14.867 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.484 1.553 -13.288 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.647 0.393 -13.972 1.00 0.00 H new ATOM 868 N ALA A 109 7.550 -2.576 -13.285 1.00 0.00 N ATOM 869 CA ALA A 109 6.933 -3.606 -12.468 1.00 0.00 C ATOM 870 C ALA A 109 6.946 -4.932 -13.230 1.00 0.00 C ATOM 871 O ALA A 109 7.141 -5.992 -12.637 1.00 0.00 O ATOM 872 CB ALA A 109 5.518 -3.170 -12.080 1.00 0.00 C ATOM 0 H ALA A 109 7.071 -1.675 -13.269 1.00 0.00 H new ATOM 0 HA ALA A 109 7.494 -3.751 -11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.054 -3.943 -11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.566 -2.239 -11.515 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.924 -3.017 -12.981 1.00 0.00 H new ATOM 873 N LYS A 110 6.735 -4.830 -14.535 1.00 0.00 N ATOM 874 CA LYS A 110 6.721 -6.009 -15.385 1.00 0.00 C ATOM 875 C LYS A 110 5.330 -6.643 -15.344 1.00 0.00 C ATOM 876 O LYS A 110 5.194 -7.859 -15.485 1.00 0.00 O ATOM 877 CB LYS A 110 7.847 -6.967 -14.991 1.00 0.00 C ATOM 878 CG LYS A 110 8.271 -7.831 -16.180 1.00 0.00 C ATOM 879 CD LYS A 110 9.703 -7.506 -16.610 1.00 0.00 C ATOM 880 CE LYS A 110 9.769 -7.189 -18.106 1.00 0.00 C ATOM 881 NZ LYS A 110 10.787 -8.032 -18.771 1.00 0.00 N ATOM 0 H LYS A 110 6.573 -3.950 -15.024 1.00 0.00 H new ATOM 0 HA LYS A 110 6.917 -5.735 -16.422 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.702 -6.398 -14.626 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.516 -7.606 -14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.198 -8.885 -15.913 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.590 -7.666 -17.015 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.074 -6.656 -16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.354 -8.350 -16.385 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.794 -7.358 -18.563 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.010 -6.136 -18.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.818 -7.804 -19.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.719 -7.851 -18.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.540 -9.035 -18.649 1.00 0.00 H new ATOM 882 N VAL A 111 4.331 -5.795 -15.150 1.00 0.00 N ATOM 883 CA VAL A 111 2.955 -6.258 -15.089 1.00 0.00 C ATOM 884 C VAL A 111 2.398 -6.375 -16.509 1.00 0.00 C ATOM 885 O VAL A 111 1.210 -6.635 -16.694 1.00 0.00 O ATOM 886 CB VAL A 111 2.129 -5.328 -14.197 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.435 -5.574 -12.719 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.362 -3.863 -14.569 1.00 0.00 C ATOM 0 H VAL A 111 4.447 -4.788 -15.033 1.00 0.00 H new ATOM 0 HA VAL A 111 2.905 -7.249 -14.637 1.00 0.00 H new ATOM 0 HB VAL A 111 1.075 -5.552 -14.363 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.835 -4.901 -12.106 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.195 -6.606 -12.465 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.493 -5.390 -12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.764 -3.223 -13.920 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.417 -3.620 -14.445 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.072 -3.701 -15.607 1.00 0.00 H new ATOM 889 N PHE A 112 3.282 -6.176 -17.476 1.00 0.00 N ATOM 890 CA PHE A 112 2.893 -6.257 -18.874 1.00 0.00 C ATOM 891 C PHE A 112 3.423 -7.540 -19.518 1.00 0.00 C ATOM 892 O PHE A 112 4.623 -7.807 -19.481 1.00 0.00 O ATOM 893 CB PHE A 112 3.514 -5.051 -19.581 1.00 0.00 C ATOM 894 CG PHE A 112 3.149 -3.705 -18.952 1.00 0.00 C ATOM 895 CD1 PHE A 112 3.684 -3.346 -17.755 1.00 0.00 C ATOM 896 CD2 PHE A 112 2.290 -2.867 -19.591 1.00 0.00 C ATOM 897 CE1 PHE A 112 3.346 -2.097 -17.171 1.00 0.00 C ATOM 898 CE2 PHE A 112 1.951 -1.617 -19.009 1.00 0.00 C ATOM 899 CZ PHE A 112 2.485 -1.259 -17.810 1.00 0.00 C ATOM 0 H PHE A 112 4.266 -5.959 -17.319 1.00 0.00 H new ATOM 0 HA PHE A 112 1.806 -6.263 -18.958 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.599 -5.160 -19.578 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.197 -5.051 -20.624 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.367 -4.012 -17.248 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.865 -3.152 -20.542 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.772 -1.812 -16.220 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.270 -0.951 -19.518 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.226 -0.310 -17.365 1.00 0.00 H new ATOM 900 N ASN A 113 2.502 -8.300 -20.093 1.00 0.00 N ATOM 901 CA ASN A 113 2.862 -9.547 -20.744 1.00 0.00 C ATOM 902 C ASN A 113 4.223 -9.389 -21.425 1.00 0.00 C ATOM 903 O ASN A 113 5.020 -10.325 -21.451 1.00 0.00 O ATOM 904 CB ASN A 113 1.838 -9.924 -21.817 1.00 0.00 C ATOM 905 CG ASN A 113 0.696 -10.749 -21.220 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.874 -11.873 -20.778 1.00 0.00 O ATOM 907 ND2 ASN A 113 -0.482 -10.131 -21.231 1.00 0.00 N ATOM 0 H ASN A 113 1.507 -8.076 -20.121 1.00 0.00 H new ATOM 0 HA ASN A 113 2.892 -10.327 -19.983 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.437 -9.020 -22.276 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.327 -10.493 -22.608 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.307 -10.598 -20.854 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.561 -9.190 -21.616 1.00 0.00 H new