USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 812 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 18 HIS : no HD1:sc= 0 X(o=-3.1,f=-3.3) USER MOD Set 1.2: A 22 HIS : no HE2:sc= -3.52! C(o=-3.1!,f=-5.4!) USER MOD Set 1.3: A 81 SER OG : rot -151:sc= 0.439 USER MOD Set 2.1: A 45 HIS : no HE2:sc=-0.00298 K(o=-14,f=-6.9) USER MOD Set 2.2: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 49 GLN : amide:sc= -13.9! C(o=-14!,f=-4.1!) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -2.03 X(o=-4.3,f=-4.7!) USER MOD Set 3.2: A 39 ASN : amide:sc= -2.24 K(o=-4.3,f=-8.1!) USER MOD Set 4.1: A 29 ASN : amide:sc= -1.24 K(o=-11,f=-6.8) USER MOD Set 4.2: A 74 GLN : amide:sc= -9.62! C(o=-11!,f=-6.8!) USER MOD Set 5.1: A 20 ASN : amide:sc= -1.45 K(o=-2.9,f=-4.1!) USER MOD Set 5.2: A 27 GLN : amide:sc= -1.17! X(o=-2.9!,f=-3) USER MOD Set 5.3: A 30 MET CE :methyl -139:sc= -0.321 (180deg=-0.4) USER MOD Single : A 1 MET CE :methyl -151:sc= -0.693 (180deg=-2.57!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= -0.207 (180deg=-1.24!) USER MOD Single : A 6 ASN : amide:sc= -4.97! C(o=-5!,f=-2.3!) USER MOD Single : A 13 GLN : amide:sc= -1.1 K(o=-1.1,f=-4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.0074) USER MOD Single : A 24 GLN : amide:sc= -3.74! C(o=-3.7!,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= -1.27 (180deg=-1.85!) USER MOD Single : A 31 ASN : amide:sc= -5.43! K(o=-5.4!,f=-1.8) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-3.6!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -160:sc= -0.667 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.459 (180deg=-0.872) USER MOD Single : A 58 GLN : amide:sc= -3.94! K(o=-3.9!,f=0.062) USER MOD Single : A 60 MET CE :methyl 146:sc= -3.16 (180deg=-5.92!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.286 (180deg=-1.27!) USER MOD Single : A 65 GLN : amide:sc= -9.83! C(o=-9.8!,f=-5.4!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -2.63! K(o=-2.6!,f=-0.31) USER MOD Single : A 80 ASN : amide:sc= -2.66! C(o=-2.7!,f=-12!) USER MOD Single : A 83 HIS : no HD1:sc= -0.209 K(o=-0.21,f=-2.1!) USER MOD Single : A 84 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.858 K(o=-0.86,f=-1.9!) USER MOD Single : A 88 ASN : amide:sc= -1.38 K(o=-1.4,f=-3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -3.44! X(o=-3.4!,f=-3.2) USER MOD Single : A 101 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.048 -19.802 -11.845 1.00 0.00 N ATOM 2 CA MET A 1 3.106 -18.561 -11.019 1.00 0.00 C ATOM 3 C MET A 1 2.282 -17.461 -11.691 1.00 0.00 C ATOM 4 O MET A 1 2.752 -16.777 -12.578 1.00 0.00 O ATOM 5 CB MET A 1 4.559 -18.100 -10.891 1.00 0.00 C ATOM 6 CG MET A 1 4.654 -16.999 -9.833 1.00 0.00 C ATOM 7 SD MET A 1 6.303 -17.020 -9.087 1.00 0.00 S ATOM 8 CE MET A 1 6.139 -18.605 -8.229 1.00 0.00 C ATOM 0 H1 MET A 1 3.608 -20.550 -11.388 1.00 0.00 H new ATOM 0 H2 MET A 1 2.060 -20.115 -11.933 1.00 0.00 H new ATOM 0 H3 MET A 1 3.435 -19.608 -12.790 1.00 0.00 H new ATOM 0 HA MET A 1 2.700 -18.766 -10.028 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.195 -18.941 -10.614 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.920 -17.729 -11.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.461 -16.027 -10.286 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.894 -17.150 -9.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.763 -18.601 -7.335 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.098 -18.759 -7.945 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.457 -19.411 -8.890 1.00 0.00 H new ATOM 20 N TYR A 2 1.058 -17.284 -11.273 1.00 0.00 N ATOM 21 CA TYR A 2 0.207 -16.225 -11.885 1.00 0.00 C ATOM 22 C TYR A 2 1.078 -15.019 -12.239 1.00 0.00 C ATOM 23 O TYR A 2 1.422 -14.803 -13.384 1.00 0.00 O ATOM 24 CB TYR A 2 -0.873 -15.803 -10.887 1.00 0.00 C ATOM 25 CG TYR A 2 -0.773 -16.660 -9.648 1.00 0.00 C ATOM 26 CD1 TYR A 2 -1.055 -18.029 -9.719 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.397 -16.084 -8.429 1.00 0.00 C ATOM 28 CE1 TYR A 2 -0.961 -18.823 -8.570 1.00 0.00 C ATOM 29 CE2 TYR A 2 -0.303 -16.877 -7.279 1.00 0.00 C ATOM 30 CZ TYR A 2 -0.585 -18.247 -7.350 1.00 0.00 C ATOM 31 OH TYR A 2 -0.494 -19.030 -6.217 1.00 0.00 O ATOM 0 H TYR A 2 0.611 -17.827 -10.534 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.266 -16.610 -12.789 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.752 -14.752 -10.626 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.860 -15.908 -11.337 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -1.345 -18.473 -10.660 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.179 -15.028 -8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.178 -19.880 -8.624 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.013 -16.433 -6.338 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.220 -18.475 -5.457 1.00 0.00 H new ATOM 41 N GLY A 3 1.445 -14.235 -11.262 1.00 0.00 N ATOM 42 CA GLY A 3 2.301 -13.047 -11.544 1.00 0.00 C ATOM 43 C GLY A 3 1.488 -11.766 -11.355 1.00 0.00 C ATOM 44 O GLY A 3 2.030 -10.681 -11.282 1.00 0.00 O ATOM 0 H GLY A 3 1.190 -14.365 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.164 -13.043 -10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.685 -13.098 -12.563 1.00 0.00 H new ATOM 48 N LYS A 4 0.192 -11.879 -11.275 1.00 0.00 N ATOM 49 CA LYS A 4 -0.649 -10.664 -11.089 1.00 0.00 C ATOM 50 C LYS A 4 -0.079 -9.821 -9.951 1.00 0.00 C ATOM 51 O LYS A 4 -0.181 -8.610 -9.958 1.00 0.00 O ATOM 52 CB LYS A 4 -2.079 -11.075 -10.746 1.00 0.00 C ATOM 53 CG LYS A 4 -2.700 -11.814 -11.937 1.00 0.00 C ATOM 54 CD LYS A 4 -3.902 -11.024 -12.461 1.00 0.00 C ATOM 55 CE LYS A 4 -4.231 -11.482 -13.883 1.00 0.00 C ATOM 56 NZ LYS A 4 -3.066 -11.214 -14.773 1.00 0.00 N ATOM 0 H LYS A 4 -0.321 -12.759 -11.330 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.651 -10.083 -12.011 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.083 -11.717 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.673 -10.194 -10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.960 -11.937 -12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.013 -12.814 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.763 -11.176 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.681 -9.957 -12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.469 -12.546 -13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.112 -10.956 -14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.405 -10.981 -15.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.517 -10.415 -14.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.461 -12.059 -14.817 1.00 0.00 H new ATOM 70 N LEU A 5 0.520 -10.441 -8.972 1.00 0.00 N ATOM 71 CA LEU A 5 1.085 -9.645 -7.850 1.00 0.00 C ATOM 72 C LEU A 5 1.803 -8.435 -8.440 1.00 0.00 C ATOM 73 O LEU A 5 1.515 -7.306 -8.099 1.00 0.00 O ATOM 74 CB LEU A 5 2.086 -10.482 -7.042 1.00 0.00 C ATOM 75 CG LEU A 5 1.405 -11.686 -6.365 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.113 -11.495 -6.260 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.706 -12.951 -7.168 1.00 0.00 C ATOM 0 H LEU A 5 0.641 -11.451 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 5 0.280 -9.334 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.880 -10.835 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.556 -9.856 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 5 1.801 -11.775 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.557 -12.366 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.328 -10.604 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.535 -11.380 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.226 -13.806 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.324 -12.838 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.783 -13.112 -7.202 1.00 0.00 H new ATOM 89 N ASN A 6 2.723 -8.656 -9.339 1.00 0.00 N ATOM 90 CA ASN A 6 3.433 -7.517 -9.957 1.00 0.00 C ATOM 91 C ASN A 6 2.417 -6.418 -10.256 1.00 0.00 C ATOM 92 O ASN A 6 2.710 -5.243 -10.164 1.00 0.00 O ATOM 93 CB ASN A 6 4.094 -7.998 -11.249 1.00 0.00 C ATOM 94 CG ASN A 6 3.125 -7.823 -12.420 1.00 0.00 C ATOM 95 OD1 ASN A 6 2.674 -8.791 -13.000 1.00 0.00 O ATOM 96 ND2 ASN A 6 2.781 -6.621 -12.793 1.00 0.00 N ATOM 0 H ASN A 6 3.009 -9.578 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 6 4.199 -7.125 -9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.008 -7.433 -11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.380 -9.046 -11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.134 -6.494 -13.571 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.159 -5.808 -12.306 1.00 0.00 H new ATOM 103 N ASP A 7 1.209 -6.793 -10.591 1.00 0.00 N ATOM 104 CA ASP A 7 0.168 -5.768 -10.867 1.00 0.00 C ATOM 105 C ASP A 7 -0.189 -5.092 -9.546 1.00 0.00 C ATOM 106 O ASP A 7 -0.443 -3.906 -9.483 1.00 0.00 O ATOM 107 CB ASP A 7 -1.075 -6.439 -11.456 1.00 0.00 C ATOM 108 CG ASP A 7 -1.536 -5.664 -12.690 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.268 -4.475 -12.754 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.149 -6.272 -13.552 1.00 0.00 O ATOM 0 H ASP A 7 0.903 -7.762 -10.684 1.00 0.00 H new ATOM 0 HA ASP A 7 0.539 -5.033 -11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.851 -7.471 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.872 -6.468 -10.713 1.00 0.00 H new ATOM 115 N LEU A 8 -0.185 -5.850 -8.483 1.00 0.00 N ATOM 116 CA LEU A 8 -0.495 -5.277 -7.147 1.00 0.00 C ATOM 117 C LEU A 8 0.752 -4.564 -6.633 1.00 0.00 C ATOM 118 O LEU A 8 0.694 -3.477 -6.092 1.00 0.00 O ATOM 119 CB LEU A 8 -0.846 -6.415 -6.182 1.00 0.00 C ATOM 120 CG LEU A 8 -2.354 -6.463 -5.940 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.836 -5.105 -5.434 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.070 -6.817 -7.247 1.00 0.00 C ATOM 0 H LEU A 8 0.022 -6.849 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.332 -4.583 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.507 -7.366 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.324 -6.272 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.578 -7.222 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.912 -5.142 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.327 -4.863 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.613 -4.340 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.146 -6.851 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.847 -6.061 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.727 -7.791 -7.597 1.00 0.00 H new ATOM 134 N LEU A 9 1.880 -5.189 -6.802 1.00 0.00 N ATOM 135 CA LEU A 9 3.158 -4.590 -6.335 1.00 0.00 C ATOM 136 C LEU A 9 3.425 -3.278 -7.074 1.00 0.00 C ATOM 137 O LEU A 9 3.554 -2.229 -6.473 1.00 0.00 O ATOM 138 CB LEU A 9 4.294 -5.571 -6.625 1.00 0.00 C ATOM 139 CG LEU A 9 5.516 -5.200 -5.787 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.572 -6.294 -5.915 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.096 -3.877 -6.285 1.00 0.00 C ATOM 0 H LEU A 9 1.972 -6.101 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 9 3.095 -4.388 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.978 -6.588 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.547 -5.548 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 9 5.220 -5.098 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.444 -6.030 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.162 -7.239 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.866 -6.396 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.968 -3.614 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.391 -3.979 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.344 -3.093 -6.195 1.00 0.00 H new ATOM 153 N GLU A 10 3.521 -3.329 -8.374 1.00 0.00 N ATOM 154 CA GLU A 10 3.795 -2.088 -9.152 1.00 0.00 C ATOM 155 C GLU A 10 2.716 -1.041 -8.862 1.00 0.00 C ATOM 156 O GLU A 10 3.005 0.069 -8.462 1.00 0.00 O ATOM 157 CB GLU A 10 3.797 -2.416 -10.646 1.00 0.00 C ATOM 158 CG GLU A 10 5.064 -3.200 -10.994 1.00 0.00 C ATOM 159 CD GLU A 10 6.122 -2.243 -11.547 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.140 -1.101 -11.118 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.895 -2.669 -12.389 1.00 0.00 O ATOM 0 H GLU A 10 3.421 -4.177 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 10 4.767 -1.690 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.913 -3.000 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.753 -1.497 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.445 -3.707 -10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.836 -3.971 -11.730 1.00 0.00 H new ATOM 168 N ASP A 11 1.473 -1.382 -9.070 1.00 0.00 N ATOM 169 CA ASP A 11 0.376 -0.405 -8.815 1.00 0.00 C ATOM 170 C ASP A 11 0.492 0.152 -7.392 1.00 0.00 C ATOM 171 O ASP A 11 0.246 1.317 -7.150 1.00 0.00 O ATOM 172 CB ASP A 11 -0.974 -1.105 -8.977 1.00 0.00 C ATOM 173 CG ASP A 11 -1.166 -1.520 -10.437 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.170 -1.744 -11.104 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.307 -1.607 -10.862 1.00 0.00 O ATOM 0 H ASP A 11 1.170 -2.296 -9.406 1.00 0.00 H new ATOM 0 HA ASP A 11 0.454 0.416 -9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.020 -1.981 -8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.780 -0.439 -8.669 1.00 0.00 H new ATOM 180 N LEU A 12 0.857 -0.671 -6.449 1.00 0.00 N ATOM 181 CA LEU A 12 0.981 -0.189 -5.043 1.00 0.00 C ATOM 182 C LEU A 12 2.153 0.790 -4.936 1.00 0.00 C ATOM 183 O LEU A 12 1.980 1.945 -4.600 1.00 0.00 O ATOM 184 CB LEU A 12 1.227 -1.389 -4.122 1.00 0.00 C ATOM 185 CG LEU A 12 1.941 -0.930 -2.850 1.00 0.00 C ATOM 186 CD1 LEU A 12 1.168 0.229 -2.217 1.00 0.00 C ATOM 187 CD2 LEU A 12 2.011 -2.097 -1.861 1.00 0.00 C ATOM 0 H LEU A 12 1.075 -1.657 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 12 0.063 0.319 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.279 -1.863 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.829 -2.137 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 12 2.949 -0.598 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.678 0.555 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.115 1.059 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.159 -0.100 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.519 -1.774 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.002 -2.426 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.562 -2.923 -2.311 1.00 0.00 H new ATOM 199 N GLN A 13 3.345 0.340 -5.214 1.00 0.00 N ATOM 200 CA GLN A 13 4.521 1.251 -5.122 1.00 0.00 C ATOM 201 C GLN A 13 4.254 2.511 -5.952 1.00 0.00 C ATOM 202 O GLN A 13 4.849 3.548 -5.731 1.00 0.00 O ATOM 203 CB GLN A 13 5.770 0.534 -5.642 1.00 0.00 C ATOM 204 CG GLN A 13 5.924 0.779 -7.146 1.00 0.00 C ATOM 205 CD GLN A 13 7.059 -0.092 -7.686 1.00 0.00 C ATOM 206 OE1 GLN A 13 6.882 -0.813 -8.648 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.225 -0.055 -7.103 1.00 0.00 N ATOM 0 H GLN A 13 3.556 -0.616 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 13 4.684 1.535 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.653 0.894 -5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.695 -0.535 -5.445 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.993 0.544 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.136 1.831 -7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.372 0.551 -6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.989 -0.632 -7.454 1.00 0.00 H new ATOM 216 N GLU A 14 3.360 2.433 -6.900 1.00 0.00 N ATOM 217 CA GLU A 14 3.053 3.631 -7.735 1.00 0.00 C ATOM 218 C GLU A 14 2.309 4.658 -6.883 1.00 0.00 C ATOM 219 O GLU A 14 2.776 5.759 -6.671 1.00 0.00 O ATOM 220 CB GLU A 14 2.172 3.221 -8.915 1.00 0.00 C ATOM 221 CG GLU A 14 3.026 2.524 -9.976 1.00 0.00 C ATOM 222 CD GLU A 14 3.657 3.574 -10.893 1.00 0.00 C ATOM 223 OE1 GLU A 14 3.723 4.723 -10.487 1.00 0.00 O ATOM 224 OE2 GLU A 14 4.063 3.212 -11.985 1.00 0.00 O ATOM 0 H GLU A 14 2.829 1.594 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 14 3.981 4.063 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.380 2.554 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.688 4.099 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.804 1.928 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.412 1.838 -10.559 1.00 0.00 H new ATOM 231 N VAL A 15 1.155 4.306 -6.384 1.00 0.00 N ATOM 232 CA VAL A 15 0.390 5.258 -5.541 1.00 0.00 C ATOM 233 C VAL A 15 1.354 5.911 -4.546 1.00 0.00 C ATOM 234 O VAL A 15 1.139 7.011 -4.081 1.00 0.00 O ATOM 235 CB VAL A 15 -0.717 4.491 -4.803 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.899 3.120 -5.454 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.346 4.305 -3.328 1.00 0.00 C ATOM 0 H VAL A 15 0.712 3.398 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.071 6.034 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.644 5.061 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.684 2.571 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.178 3.248 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.035 2.562 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.141 3.760 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.585 3.742 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.218 5.281 -2.859 1.00 0.00 H new ATOM 247 N LEU A 16 2.423 5.235 -4.230 1.00 0.00 N ATOM 248 CA LEU A 16 3.419 5.800 -3.279 1.00 0.00 C ATOM 249 C LEU A 16 4.326 6.775 -4.034 1.00 0.00 C ATOM 250 O LEU A 16 4.879 7.695 -3.463 1.00 0.00 O ATOM 251 CB LEU A 16 4.248 4.650 -2.693 1.00 0.00 C ATOM 252 CG LEU A 16 5.588 5.164 -2.158 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.340 6.152 -1.017 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.404 3.979 -1.636 1.00 0.00 C ATOM 0 H LEU A 16 2.650 4.309 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 16 2.918 6.331 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.692 4.167 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.423 3.894 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 16 6.134 5.666 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.295 6.517 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.751 6.992 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.798 5.652 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.360 4.336 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.855 3.483 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.579 3.272 -2.447 1.00 0.00 H new ATOM 266 N LYS A 17 4.483 6.576 -5.315 1.00 0.00 N ATOM 267 CA LYS A 17 5.354 7.488 -6.112 1.00 0.00 C ATOM 268 C LYS A 17 4.617 8.804 -6.374 1.00 0.00 C ATOM 269 O LYS A 17 5.130 9.874 -6.116 1.00 0.00 O ATOM 270 CB LYS A 17 5.698 6.821 -7.446 1.00 0.00 C ATOM 271 CG LYS A 17 6.714 7.680 -8.201 1.00 0.00 C ATOM 272 CD LYS A 17 6.868 7.145 -9.627 1.00 0.00 C ATOM 273 CE LYS A 17 5.698 7.630 -10.486 1.00 0.00 C ATOM 274 NZ LYS A 17 6.191 8.619 -11.486 1.00 0.00 N ATOM 0 H LYS A 17 4.046 5.821 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 17 6.270 7.692 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.106 5.825 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.796 6.696 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.384 8.719 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.675 7.662 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.811 7.485 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.897 6.055 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.231 6.786 -10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.934 8.085 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.396 8.948 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.617 9.429 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.905 8.171 -12.095 1.00 0.00 H new ATOM 288 N HIS A 18 3.419 8.735 -6.887 1.00 0.00 N ATOM 289 CA HIS A 18 2.656 9.984 -7.165 1.00 0.00 C ATOM 290 C HIS A 18 2.158 10.581 -5.849 1.00 0.00 C ATOM 291 O HIS A 18 1.324 11.463 -5.832 1.00 0.00 O ATOM 292 CB HIS A 18 1.463 9.663 -8.063 1.00 0.00 C ATOM 293 CG HIS A 18 1.894 9.705 -9.503 1.00 0.00 C ATOM 294 ND1 HIS A 18 2.222 10.893 -10.143 1.00 0.00 N ATOM 295 CD2 HIS A 18 2.058 8.715 -10.441 1.00 0.00 C ATOM 296 CE1 HIS A 18 2.565 10.590 -11.409 1.00 0.00 C ATOM 297 NE2 HIS A 18 2.481 9.278 -11.640 1.00 0.00 N ATOM 0 H HIS A 18 2.936 7.869 -7.125 1.00 0.00 H new ATOM 0 HA HIS A 18 3.305 10.702 -7.667 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.066 8.678 -7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.661 10.381 -7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.885 7.662 -10.273 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.870 11.318 -12.146 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.684 8.791 -12.513 1.00 0.00 H new ATOM 306 N VAL A 19 2.660 10.104 -4.745 1.00 0.00 N ATOM 307 CA VAL A 19 2.214 10.641 -3.430 1.00 0.00 C ATOM 308 C VAL A 19 3.428 11.125 -2.638 1.00 0.00 C ATOM 309 O VAL A 19 3.368 12.112 -1.932 1.00 0.00 O ATOM 310 CB VAL A 19 1.496 9.537 -2.652 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.498 9.870 -1.160 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.055 9.431 -3.148 1.00 0.00 C ATOM 0 H VAL A 19 3.361 9.364 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 19 1.532 11.477 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 19 2.011 8.589 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.985 9.081 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.526 9.950 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.984 10.817 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.463 8.646 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.455 10.381 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.053 9.190 -4.211 1.00 0.00 H new ATOM 322 N ASN A 20 4.533 10.442 -2.752 1.00 0.00 N ATOM 323 CA ASN A 20 5.751 10.870 -2.007 1.00 0.00 C ATOM 324 C ASN A 20 5.959 12.373 -2.200 1.00 0.00 C ATOM 325 O ASN A 20 6.479 13.053 -1.339 1.00 0.00 O ATOM 326 CB ASN A 20 6.968 10.114 -2.545 1.00 0.00 C ATOM 327 CG ASN A 20 8.058 10.067 -1.473 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.172 10.968 -0.667 1.00 0.00 O ATOM 329 ND2 ASN A 20 8.871 9.046 -1.433 1.00 0.00 N ATOM 0 H ASN A 20 4.646 9.607 -3.328 1.00 0.00 H new ATOM 0 HA ASN A 20 5.627 10.651 -0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.682 9.102 -2.832 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.347 10.605 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.603 9.005 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.774 8.290 -2.111 1.00 0.00 H new ATOM 336 N GLN A 21 5.557 12.897 -3.325 1.00 0.00 N ATOM 337 CA GLN A 21 5.734 14.356 -3.574 1.00 0.00 C ATOM 338 C GLN A 21 4.460 15.107 -3.177 1.00 0.00 C ATOM 339 O GLN A 21 4.507 16.114 -2.500 1.00 0.00 O ATOM 340 CB GLN A 21 6.015 14.590 -5.059 1.00 0.00 C ATOM 341 CG GLN A 21 7.158 13.681 -5.514 1.00 0.00 C ATOM 342 CD GLN A 21 7.882 14.328 -6.695 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.946 13.762 -7.768 1.00 0.00 O ATOM 344 NE2 GLN A 21 8.434 15.500 -6.543 1.00 0.00 N ATOM 0 H GLN A 21 5.113 12.378 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 21 6.571 14.722 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.119 14.386 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.277 15.634 -5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.855 13.516 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.768 12.705 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.381 15.976 -5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.919 15.941 -7.325 1.00 0.00 H new ATOM 353 N HIS A 22 3.322 14.630 -3.601 1.00 0.00 N ATOM 354 CA HIS A 22 2.050 15.325 -3.255 1.00 0.00 C ATOM 355 C HIS A 22 1.643 14.984 -1.819 1.00 0.00 C ATOM 356 O HIS A 22 0.483 14.777 -1.528 1.00 0.00 O ATOM 357 CB HIS A 22 0.946 14.877 -4.214 1.00 0.00 C ATOM 358 CG HIS A 22 1.523 14.679 -5.589 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.994 13.763 -6.488 1.00 0.00 N ATOM 360 CD2 HIS A 22 2.580 15.272 -6.237 1.00 0.00 C ATOM 361 CE1 HIS A 22 1.725 13.831 -7.616 1.00 0.00 C ATOM 362 NE2 HIS A 22 2.702 14.735 -7.513 1.00 0.00 N ATOM 0 H HIS A 22 3.218 13.791 -4.171 1.00 0.00 H new ATOM 0 HA HIS A 22 2.197 16.402 -3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.497 13.949 -3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.152 15.624 -4.245 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.196 13.150 -6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 22 3.217 16.037 -5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.544 13.230 -8.495 1.00 0.00 H new ATOM 371 N TRP A 23 2.584 14.931 -0.918 1.00 0.00 N ATOM 372 CA TRP A 23 2.238 14.610 0.496 1.00 0.00 C ATOM 373 C TRP A 23 2.069 15.909 1.285 1.00 0.00 C ATOM 374 O TRP A 23 2.703 16.905 1.003 1.00 0.00 O ATOM 375 CB TRP A 23 3.352 13.778 1.125 1.00 0.00 C ATOM 376 CG TRP A 23 2.880 13.247 2.436 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.714 13.981 3.559 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.505 11.884 2.780 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.261 13.153 4.569 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.117 11.851 4.138 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.465 10.688 2.050 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.702 10.669 4.751 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.049 9.494 2.661 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.669 9.485 4.011 1.00 0.00 C ATOM 0 H TRP A 23 3.574 15.095 -1.098 1.00 0.00 H new ATOM 0 HA TRP A 23 1.308 14.042 0.518 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.628 12.957 0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.244 14.388 1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.904 15.040 3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.058 13.467 5.518 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.756 10.685 1.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.408 10.669 5.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.022 8.578 2.089 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.351 8.564 4.477 1.00 0.00 H new ATOM 395 N GLN A 24 1.218 15.904 2.273 1.00 0.00 N ATOM 396 CA GLN A 24 1.007 17.139 3.083 1.00 0.00 C ATOM 397 C GLN A 24 0.587 16.755 4.504 1.00 0.00 C ATOM 398 O GLN A 24 1.065 15.786 5.060 1.00 0.00 O ATOM 399 CB GLN A 24 -0.089 17.994 2.438 1.00 0.00 C ATOM 400 CG GLN A 24 0.415 18.559 1.108 1.00 0.00 C ATOM 401 CD GLN A 24 1.627 19.456 1.363 1.00 0.00 C ATOM 402 OE1 GLN A 24 2.734 19.120 0.995 1.00 0.00 O ATOM 403 NE2 GLN A 24 1.463 20.592 1.983 1.00 0.00 N ATOM 0 H GLN A 24 0.659 15.099 2.555 1.00 0.00 H new ATOM 0 HA GLN A 24 1.935 17.709 3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.983 17.393 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.370 18.807 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.686 17.746 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.376 19.128 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.533 20.875 2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.265 21.198 2.158 1.00 0.00 H new ATOM 412 N GLY A 25 -0.304 17.503 5.098 1.00 0.00 N ATOM 413 CA GLY A 25 -0.756 17.177 6.482 1.00 0.00 C ATOM 414 C GLY A 25 0.436 16.696 7.312 1.00 0.00 C ATOM 415 O GLY A 25 0.371 15.683 7.978 1.00 0.00 O ATOM 0 H GLY A 25 -0.739 18.327 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.204 18.056 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.526 16.406 6.452 1.00 0.00 H new ATOM 419 N GLY A 26 1.524 17.415 7.278 1.00 0.00 N ATOM 420 CA GLY A 26 2.718 16.996 8.064 1.00 0.00 C ATOM 421 C GLY A 26 3.684 16.240 7.152 1.00 0.00 C ATOM 422 O GLY A 26 3.493 15.075 6.860 1.00 0.00 O ATOM 0 H GLY A 26 1.638 18.274 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.211 17.869 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.415 16.362 8.897 1.00 0.00 H new ATOM 426 N GLN A 27 4.716 16.893 6.694 1.00 0.00 N ATOM 427 CA GLN A 27 5.691 16.213 5.796 1.00 0.00 C ATOM 428 C GLN A 27 6.609 15.307 6.620 1.00 0.00 C ATOM 429 O GLN A 27 7.622 14.836 6.144 1.00 0.00 O ATOM 430 CB GLN A 27 6.530 17.267 5.068 1.00 0.00 C ATOM 431 CG GLN A 27 7.277 16.615 3.901 1.00 0.00 C ATOM 432 CD GLN A 27 8.783 16.824 4.073 1.00 0.00 C ATOM 433 OE1 GLN A 27 9.572 15.994 3.669 1.00 0.00 O ATOM 434 NE2 GLN A 27 9.216 17.906 4.661 1.00 0.00 N ATOM 0 H GLN A 27 4.926 17.869 6.903 1.00 0.00 H new ATOM 0 HA GLN A 27 5.151 15.608 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.887 18.067 4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.240 17.721 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.050 15.550 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.945 17.047 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.552 18.603 5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.218 18.055 4.781 1.00 0.00 H new ATOM 443 N LYS A 28 6.261 15.059 7.853 1.00 0.00 N ATOM 444 CA LYS A 28 7.113 14.182 8.705 1.00 0.00 C ATOM 445 C LYS A 28 6.574 12.752 8.658 1.00 0.00 C ATOM 446 O LYS A 28 7.277 11.803 8.947 1.00 0.00 O ATOM 447 CB LYS A 28 7.089 14.692 10.147 1.00 0.00 C ATOM 448 CG LYS A 28 5.676 15.166 10.498 1.00 0.00 C ATOM 449 CD LYS A 28 5.439 15.000 12.002 1.00 0.00 C ATOM 450 CE LYS A 28 3.953 15.201 12.308 1.00 0.00 C ATOM 451 NZ LYS A 28 3.330 16.010 11.222 1.00 0.00 N ATOM 0 H LYS A 28 5.424 15.425 8.307 1.00 0.00 H new ATOM 0 HA LYS A 28 8.138 14.197 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.398 13.900 10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.799 15.511 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.550 16.210 10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.939 14.591 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.757 14.008 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.037 15.723 12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.453 14.236 12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.833 15.705 13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.376 16.306 11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.913 16.852 11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.266 15.438 10.356 1.00 0.00 H new ATOM 465 N ASN A 29 5.333 12.589 8.295 1.00 0.00 N ATOM 466 CA ASN A 29 4.751 11.221 8.226 1.00 0.00 C ATOM 467 C ASN A 29 5.191 10.546 6.927 1.00 0.00 C ATOM 468 O ASN A 29 5.490 9.369 6.899 1.00 0.00 O ATOM 469 CB ASN A 29 3.225 11.313 8.262 1.00 0.00 C ATOM 470 CG ASN A 29 2.778 11.868 9.616 1.00 0.00 C ATOM 471 OD1 ASN A 29 1.839 12.633 9.693 1.00 0.00 O ATOM 472 ND2 ASN A 29 3.420 11.511 10.695 1.00 0.00 N ATOM 0 H ASN A 29 4.696 13.345 8.043 1.00 0.00 H new ATOM 0 HA ASN A 29 5.099 10.635 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.870 11.958 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.787 10.328 8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.133 11.875 11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.209 10.868 10.630 1.00 0.00 H new ATOM 479 N MET A 30 5.237 11.283 5.850 1.00 0.00 N ATOM 480 CA MET A 30 5.659 10.679 4.555 1.00 0.00 C ATOM 481 C MET A 30 6.833 9.728 4.798 1.00 0.00 C ATOM 482 O MET A 30 6.943 8.690 4.175 1.00 0.00 O ATOM 483 CB MET A 30 6.087 11.786 3.587 1.00 0.00 C ATOM 484 CG MET A 30 6.575 11.158 2.281 1.00 0.00 C ATOM 485 SD MET A 30 8.376 11.304 2.178 1.00 0.00 S ATOM 486 CE MET A 30 8.433 12.976 1.487 1.00 0.00 C ATOM 0 H MET A 30 5.001 12.275 5.811 1.00 0.00 H new ATOM 0 HA MET A 30 4.825 10.126 4.123 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.250 12.456 3.391 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.879 12.388 4.032 1.00 0.00 H new ATOM 0 HG2 MET A 30 6.281 10.109 2.237 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.110 11.655 1.430 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.204 13.026 0.719 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.466 13.221 1.047 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.663 13.689 2.279 1.00 0.00 H new ATOM 496 N ASN A 31 7.711 10.072 5.702 1.00 0.00 N ATOM 497 CA ASN A 31 8.874 9.185 5.987 1.00 0.00 C ATOM 498 C ASN A 31 8.423 8.034 6.885 1.00 0.00 C ATOM 499 O ASN A 31 8.824 6.900 6.708 1.00 0.00 O ATOM 500 CB ASN A 31 9.966 9.987 6.699 1.00 0.00 C ATOM 501 CG ASN A 31 10.347 11.199 5.847 1.00 0.00 C ATOM 502 OD1 ASN A 31 11.220 11.962 6.211 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.725 11.410 4.720 1.00 0.00 N ATOM 0 H ASN A 31 7.672 10.928 6.255 1.00 0.00 H new ATOM 0 HA ASN A 31 9.267 8.788 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.613 10.313 7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.841 9.359 6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.971 12.215 4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.992 10.770 4.414 1.00 0.00 H new ATOM 510 N LYS A 32 7.592 8.317 7.849 1.00 0.00 N ATOM 511 CA LYS A 32 7.114 7.240 8.761 1.00 0.00 C ATOM 512 C LYS A 32 6.253 6.250 7.973 1.00 0.00 C ATOM 513 O LYS A 32 6.337 5.052 8.161 1.00 0.00 O ATOM 514 CB LYS A 32 6.279 7.857 9.885 1.00 0.00 C ATOM 515 CG LYS A 32 7.183 8.705 10.786 1.00 0.00 C ATOM 516 CD LYS A 32 6.365 9.255 11.959 1.00 0.00 C ATOM 517 CE LYS A 32 7.310 9.768 13.048 1.00 0.00 C ATOM 518 NZ LYS A 32 7.028 9.055 14.326 1.00 0.00 N ATOM 0 H LYS A 32 7.223 9.247 8.045 1.00 0.00 H new ATOM 0 HA LYS A 32 7.971 6.719 9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.484 8.474 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.799 7.072 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.012 8.103 11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.617 9.526 10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.716 10.061 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.719 8.475 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.346 9.608 12.751 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.179 10.842 13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.670 9.403 15.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.043 9.230 14.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.174 8.034 14.193 1.00 0.00 H new ATOM 532 N VAL A 33 5.426 6.740 7.092 1.00 0.00 N ATOM 533 CA VAL A 33 4.560 5.830 6.292 1.00 0.00 C ATOM 534 C VAL A 33 5.393 5.148 5.205 1.00 0.00 C ATOM 535 O VAL A 33 5.393 3.940 5.077 1.00 0.00 O ATOM 536 CB VAL A 33 3.436 6.638 5.641 1.00 0.00 C ATOM 537 CG1 VAL A 33 2.389 6.998 6.696 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.015 7.921 5.033 1.00 0.00 C ATOM 0 H VAL A 33 5.312 7.734 6.891 1.00 0.00 H new ATOM 0 HA VAL A 33 4.132 5.071 6.947 1.00 0.00 H new ATOM 0 HB VAL A 33 2.969 6.044 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.588 7.574 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.977 6.085 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.854 7.592 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.215 8.497 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.483 8.516 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.760 7.663 4.280 1.00 0.00 H new ATOM 548 N ASP A 34 6.103 5.911 4.418 1.00 0.00 N ATOM 549 CA ASP A 34 6.933 5.298 3.345 1.00 0.00 C ATOM 550 C ASP A 34 7.581 4.024 3.886 1.00 0.00 C ATOM 551 O ASP A 34 7.786 3.064 3.168 1.00 0.00 O ATOM 552 CB ASP A 34 8.022 6.284 2.913 1.00 0.00 C ATOM 553 CG ASP A 34 8.961 5.608 1.913 1.00 0.00 C ATOM 554 OD1 ASP A 34 8.585 4.575 1.382 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.040 6.133 1.694 1.00 0.00 O ATOM 0 H ASP A 34 6.143 6.929 4.472 1.00 0.00 H new ATOM 0 HA ASP A 34 6.307 5.057 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.569 7.167 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.585 6.624 3.783 1.00 0.00 H new ATOM 560 N HIS A 35 7.896 4.006 5.151 1.00 0.00 N ATOM 561 CA HIS A 35 8.521 2.795 5.748 1.00 0.00 C ATOM 562 C HIS A 35 7.454 1.710 5.901 1.00 0.00 C ATOM 563 O HIS A 35 7.600 0.607 5.410 1.00 0.00 O ATOM 564 CB HIS A 35 9.096 3.145 7.121 1.00 0.00 C ATOM 565 CG HIS A 35 9.924 1.997 7.625 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.295 2.102 7.814 1.00 0.00 N ATOM 567 CD2 HIS A 35 9.591 0.714 7.983 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.734 0.912 8.265 1.00 0.00 C ATOM 569 NE2 HIS A 35 10.736 0.035 8.386 1.00 0.00 N ATOM 0 H HIS A 35 7.747 4.780 5.798 1.00 0.00 H new ATOM 0 HA HIS A 35 9.323 2.435 5.103 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.707 4.045 7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.289 3.360 7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.595 0.297 7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.766 0.694 8.500 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.799 -0.931 8.707 1.00 0.00 H new ATOM 578 N HIS A 36 6.376 2.019 6.566 1.00 0.00 N ATOM 579 CA HIS A 36 5.292 1.012 6.738 1.00 0.00 C ATOM 580 C HIS A 36 4.905 0.471 5.362 1.00 0.00 C ATOM 581 O HIS A 36 4.662 -0.706 5.187 1.00 0.00 O ATOM 582 CB HIS A 36 4.074 1.683 7.382 1.00 0.00 C ATOM 583 CG HIS A 36 4.010 1.333 8.846 1.00 0.00 C ATOM 584 ND1 HIS A 36 4.978 0.555 9.468 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.098 1.648 9.823 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.628 0.430 10.762 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.493 1.077 11.028 1.00 0.00 N ATOM 0 H HIS A 36 6.199 2.926 6.998 1.00 0.00 H new ATOM 0 HA HIS A 36 5.635 0.198 7.376 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.137 2.764 7.260 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.162 1.358 6.881 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.211 2.247 9.678 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.196 -0.125 11.494 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.015 1.140 11.927 1.00 0.00 H new ATOM 596 N LEU A 37 4.850 1.331 4.385 1.00 0.00 N ATOM 597 CA LEU A 37 4.484 0.889 3.012 1.00 0.00 C ATOM 598 C LEU A 37 5.695 0.223 2.356 1.00 0.00 C ATOM 599 O LEU A 37 5.687 -0.960 2.076 1.00 0.00 O ATOM 600 CB LEU A 37 4.069 2.120 2.198 1.00 0.00 C ATOM 601 CG LEU A 37 3.091 1.728 1.089 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.182 2.920 0.780 1.00 0.00 C ATOM 603 CD2 LEU A 37 3.878 1.355 -0.167 1.00 0.00 C ATOM 0 H LEU A 37 5.044 2.328 4.480 1.00 0.00 H new ATOM 0 HA LEU A 37 3.661 0.176 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.607 2.857 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.951 2.589 1.763 1.00 0.00 H new ATOM 0 HG LEU A 37 2.489 0.878 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.482 2.648 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.628 3.197 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.788 3.765 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.185 1.075 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.474 2.209 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.537 0.515 0.053 1.00 0.00 H new ATOM 615 N GLN A 38 6.736 0.970 2.113 1.00 0.00 N ATOM 616 CA GLN A 38 7.944 0.374 1.480 1.00 0.00 C ATOM 617 C GLN A 38 8.161 -1.036 2.032 1.00 0.00 C ATOM 618 O GLN A 38 8.701 -1.897 1.367 1.00 0.00 O ATOM 619 CB GLN A 38 9.166 1.240 1.797 1.00 0.00 C ATOM 620 CG GLN A 38 10.393 0.674 1.079 1.00 0.00 C ATOM 621 CD GLN A 38 11.625 0.829 1.974 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.935 1.916 2.418 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.346 -0.221 2.258 1.00 0.00 N ATOM 0 H GLN A 38 6.802 1.966 2.325 1.00 0.00 H new ATOM 0 HA GLN A 38 7.804 0.326 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.988 2.268 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.339 1.263 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.234 -0.377 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.548 1.196 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.086 -1.134 1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.170 -0.129 2.853 1.00 0.00 H new ATOM 632 N ASN A 39 7.742 -1.278 3.244 1.00 0.00 N ATOM 633 CA ASN A 39 7.924 -2.631 3.838 1.00 0.00 C ATOM 634 C ASN A 39 6.831 -3.569 3.319 1.00 0.00 C ATOM 635 O ASN A 39 7.060 -4.744 3.108 1.00 0.00 O ATOM 636 CB ASN A 39 7.836 -2.537 5.363 1.00 0.00 C ATOM 637 CG ASN A 39 9.243 -2.596 5.960 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.567 -1.842 6.857 1.00 0.00 O ATOM 639 ND2 ASN A 39 10.099 -3.465 5.497 1.00 0.00 N ATOM 0 H ASN A 39 7.282 -0.597 3.848 1.00 0.00 H new ATOM 0 HA ASN A 39 8.901 -3.022 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.345 -1.608 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.229 -3.354 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.040 -3.512 5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.827 -4.098 4.744 1.00 0.00 H new ATOM 646 N VAL A 40 5.645 -3.064 3.109 1.00 0.00 N ATOM 647 CA VAL A 40 4.550 -3.938 2.602 1.00 0.00 C ATOM 648 C VAL A 40 4.855 -4.346 1.159 1.00 0.00 C ATOM 649 O VAL A 40 4.712 -5.494 0.788 1.00 0.00 O ATOM 650 CB VAL A 40 3.219 -3.189 2.654 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.080 -4.144 2.290 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.993 -2.650 4.070 1.00 0.00 C ATOM 0 H VAL A 40 5.389 -2.089 3.266 1.00 0.00 H new ATOM 0 HA VAL A 40 4.480 -4.828 3.227 1.00 0.00 H new ATOM 0 HB VAL A 40 3.242 -2.361 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.131 -3.609 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.238 -4.532 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.058 -4.971 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.044 -2.115 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.971 -3.480 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.803 -1.970 4.334 1.00 0.00 H new ATOM 662 N ILE A 41 5.280 -3.419 0.341 1.00 0.00 N ATOM 663 CA ILE A 41 5.598 -3.770 -1.073 1.00 0.00 C ATOM 664 C ILE A 41 6.549 -4.965 -1.080 1.00 0.00 C ATOM 665 O ILE A 41 6.497 -5.810 -1.952 1.00 0.00 O ATOM 666 CB ILE A 41 6.268 -2.583 -1.768 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.547 -1.290 -1.377 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.192 -2.774 -3.284 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.699 -0.257 -2.494 1.00 0.00 C ATOM 0 H ILE A 41 5.420 -2.440 0.590 1.00 0.00 H new ATOM 0 HA ILE A 41 4.679 -4.018 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 41 7.312 -2.522 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.491 -1.491 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.961 -0.898 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.669 -1.929 -3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.705 -3.695 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.148 -2.834 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.185 0.662 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.757 -0.047 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.264 -0.649 -3.414 1.00 0.00 H new ATOM 681 N GLU A 42 7.415 -5.046 -0.106 1.00 0.00 N ATOM 682 CA GLU A 42 8.360 -6.192 -0.048 1.00 0.00 C ATOM 683 C GLU A 42 7.570 -7.461 0.259 1.00 0.00 C ATOM 684 O GLU A 42 7.972 -8.556 -0.078 1.00 0.00 O ATOM 685 CB GLU A 42 9.397 -5.951 1.052 1.00 0.00 C ATOM 686 CG GLU A 42 10.803 -6.165 0.487 1.00 0.00 C ATOM 687 CD GLU A 42 11.793 -6.364 1.636 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.349 -6.429 2.771 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.979 -6.447 1.361 1.00 0.00 O ATOM 0 H GLU A 42 7.507 -4.368 0.650 1.00 0.00 H new ATOM 0 HA GLU A 42 8.876 -6.297 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.301 -4.937 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.222 -6.630 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.813 -7.035 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.098 -5.306 -0.116 1.00 0.00 H new ATOM 696 N ASP A 43 6.438 -7.318 0.895 1.00 0.00 N ATOM 697 CA ASP A 43 5.613 -8.513 1.220 1.00 0.00 C ATOM 698 C ASP A 43 4.980 -9.048 -0.065 1.00 0.00 C ATOM 699 O ASP A 43 5.025 -10.228 -0.347 1.00 0.00 O ATOM 700 CB ASP A 43 4.515 -8.118 2.206 1.00 0.00 C ATOM 701 CG ASP A 43 3.911 -9.380 2.824 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.244 -10.106 2.106 1.00 0.00 O ATOM 703 OD2 ASP A 43 4.128 -9.599 4.004 1.00 0.00 O ATOM 0 H ASP A 43 6.051 -6.426 1.202 1.00 0.00 H new ATOM 0 HA ASP A 43 6.240 -9.284 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.925 -7.478 2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.742 -7.543 1.696 1.00 0.00 H new ATOM 708 N ILE A 44 4.399 -8.185 -0.852 1.00 0.00 N ATOM 709 CA ILE A 44 3.773 -8.642 -2.124 1.00 0.00 C ATOM 710 C ILE A 44 4.826 -9.354 -2.969 1.00 0.00 C ATOM 711 O ILE A 44 4.623 -10.456 -3.435 1.00 0.00 O ATOM 712 CB ILE A 44 3.249 -7.435 -2.894 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.013 -6.878 -2.191 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.880 -7.864 -4.315 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.077 -5.350 -2.182 1.00 0.00 C ATOM 0 H ILE A 44 4.331 -7.184 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 44 2.949 -9.321 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 44 4.019 -6.664 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.110 -7.212 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.961 -7.256 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.505 -7.004 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.763 -8.261 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.109 -8.633 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.195 -4.952 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.973 -5.026 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.109 -4.981 -3.207 1.00 0.00 H new ATOM 727 N HIS A 45 5.954 -8.729 -3.167 1.00 0.00 N ATOM 728 CA HIS A 45 7.022 -9.373 -3.974 1.00 0.00 C ATOM 729 C HIS A 45 7.268 -10.777 -3.421 1.00 0.00 C ATOM 730 O HIS A 45 7.631 -11.687 -4.140 1.00 0.00 O ATOM 731 CB HIS A 45 8.307 -8.550 -3.869 1.00 0.00 C ATOM 732 CG HIS A 45 9.189 -8.844 -5.052 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.929 -10.014 -5.151 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.462 -8.130 -6.192 1.00 0.00 C ATOM 735 CE1 HIS A 45 10.604 -9.970 -6.314 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.353 -8.844 -6.984 1.00 0.00 N ATOM 0 H HIS A 45 6.180 -7.803 -2.805 1.00 0.00 H new ATOM 0 HA HIS A 45 6.719 -9.430 -5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.069 -7.487 -3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.830 -8.789 -2.943 1.00 0.00 H new ATOM 0 HD1 HIS A 45 9.956 -10.770 -4.467 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.048 -7.163 -6.436 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.266 -10.749 -6.662 1.00 0.00 H new ATOM 745 N ASP A 46 7.066 -10.955 -2.143 1.00 0.00 N ATOM 746 CA ASP A 46 7.278 -12.295 -1.528 1.00 0.00 C ATOM 747 C ASP A 46 6.009 -13.135 -1.684 1.00 0.00 C ATOM 748 O ASP A 46 5.979 -14.300 -1.335 1.00 0.00 O ATOM 749 CB ASP A 46 7.597 -12.126 -0.040 1.00 0.00 C ATOM 750 CG ASP A 46 8.846 -12.934 0.313 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.061 -13.960 -0.313 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.567 -12.515 1.204 1.00 0.00 O ATOM 0 H ASP A 46 6.762 -10.226 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 46 8.108 -12.796 -2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.756 -11.073 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.753 -12.460 0.563 1.00 0.00 H new ATOM 757 N PHE A 47 4.957 -12.558 -2.202 1.00 0.00 N ATOM 758 CA PHE A 47 3.697 -13.333 -2.371 1.00 0.00 C ATOM 759 C PHE A 47 3.763 -14.128 -3.677 1.00 0.00 C ATOM 760 O PHE A 47 3.016 -15.063 -3.886 1.00 0.00 O ATOM 761 CB PHE A 47 2.508 -12.370 -2.409 1.00 0.00 C ATOM 762 CG PHE A 47 1.220 -13.148 -2.270 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.616 -13.717 -3.398 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.630 -13.301 -1.009 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.576 -14.439 -3.265 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.561 -14.023 -0.877 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.164 -14.593 -2.004 1.00 0.00 C ATOM 0 H PHE A 47 4.917 -11.588 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 47 3.574 -14.022 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.592 -11.640 -1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.509 -11.813 -3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.070 -13.599 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.094 -12.862 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.042 -14.877 -4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.016 -14.141 0.096 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.083 -15.151 -1.901 1.00 0.00 H new ATOM 777 N MET A 48 4.661 -13.769 -4.555 1.00 0.00 N ATOM 778 CA MET A 48 4.781 -14.508 -5.843 1.00 0.00 C ATOM 779 C MET A 48 5.644 -15.753 -5.631 1.00 0.00 C ATOM 780 O MET A 48 5.308 -16.837 -6.065 1.00 0.00 O ATOM 781 CB MET A 48 5.436 -13.609 -6.894 1.00 0.00 C ATOM 782 CG MET A 48 5.295 -12.146 -6.476 1.00 0.00 C ATOM 783 SD MET A 48 5.513 -11.085 -7.925 1.00 0.00 S ATOM 784 CE MET A 48 7.323 -11.089 -7.941 1.00 0.00 C ATOM 0 H MET A 48 5.316 -12.996 -4.435 1.00 0.00 H new ATOM 0 HA MET A 48 3.789 -14.801 -6.187 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.489 -13.867 -7.002 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.968 -13.767 -7.865 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.315 -11.976 -6.031 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.037 -11.900 -5.716 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.681 -10.482 -8.773 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.696 -10.676 -7.004 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.684 -12.111 -8.056 1.00 0.00 H new ATOM 794 N GLN A 49 6.755 -15.606 -4.963 1.00 0.00 N ATOM 795 CA GLN A 49 7.635 -16.779 -4.718 1.00 0.00 C ATOM 796 C GLN A 49 7.048 -17.605 -3.578 1.00 0.00 C ATOM 797 O GLN A 49 7.077 -18.819 -3.596 1.00 0.00 O ATOM 798 CB GLN A 49 9.036 -16.297 -4.333 1.00 0.00 C ATOM 799 CG GLN A 49 8.931 -14.973 -3.573 1.00 0.00 C ATOM 800 CD GLN A 49 9.141 -13.807 -4.541 1.00 0.00 C ATOM 801 OE1 GLN A 49 10.161 -13.148 -4.503 1.00 0.00 O ATOM 802 NE2 GLN A 49 8.213 -13.524 -5.413 1.00 0.00 N ATOM 0 H GLN A 49 7.090 -14.723 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 49 7.702 -17.387 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.532 -17.045 -3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.646 -16.168 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.954 -14.892 -3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.677 -14.938 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.357 -14.078 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.344 -12.749 -6.063 1.00 0.00 H new ATOM 811 N GLY A 50 6.503 -16.953 -2.589 1.00 0.00 N ATOM 812 CA GLY A 50 5.900 -17.698 -1.451 1.00 0.00 C ATOM 813 C GLY A 50 5.021 -18.820 -2.003 1.00 0.00 C ATOM 814 O GLY A 50 4.543 -19.666 -1.273 1.00 0.00 O ATOM 0 H GLY A 50 6.450 -15.937 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.682 -18.111 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.307 -17.025 -0.832 1.00 0.00 H new ATOM 818 N GLY A 51 4.804 -18.830 -3.291 1.00 0.00 N ATOM 819 CA GLY A 51 3.959 -19.896 -3.903 1.00 0.00 C ATOM 820 C GLY A 51 2.555 -19.864 -3.292 1.00 0.00 C ATOM 821 O GLY A 51 1.646 -20.511 -3.773 1.00 0.00 O ATOM 0 H GLY A 51 5.177 -18.144 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.899 -19.750 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.414 -20.872 -3.738 1.00 0.00 H new ATOM 825 N GLY A 52 2.369 -19.121 -2.235 1.00 0.00 N ATOM 826 CA GLY A 52 1.025 -19.058 -1.597 1.00 0.00 C ATOM 827 C GLY A 52 1.194 -18.959 -0.082 1.00 0.00 C ATOM 828 O GLY A 52 0.994 -19.916 0.639 1.00 0.00 O ATOM 0 H GLY A 52 3.090 -18.555 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.472 -18.196 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.445 -19.945 -1.853 1.00 0.00 H new ATOM 832 N SER A 53 1.568 -17.809 0.406 1.00 0.00 N ATOM 833 CA SER A 53 1.759 -17.649 1.872 1.00 0.00 C ATOM 834 C SER A 53 0.683 -16.717 2.430 1.00 0.00 C ATOM 835 O SER A 53 0.969 -15.638 2.910 1.00 0.00 O ATOM 836 CB SER A 53 3.141 -17.055 2.139 1.00 0.00 C ATOM 837 OG SER A 53 3.984 -17.309 1.023 1.00 0.00 O ATOM 0 H SER A 53 1.750 -16.973 -0.149 1.00 0.00 H new ATOM 0 HA SER A 53 1.680 -18.621 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.061 -15.982 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.570 -17.493 3.041 1.00 0.00 H new ATOM 0 HG SER A 53 4.922 -17.227 1.296 1.00 0.00 H new ATOM 843 N GLY A 54 -0.555 -17.124 2.374 1.00 0.00 N ATOM 844 CA GLY A 54 -1.646 -16.260 2.903 1.00 0.00 C ATOM 845 C GLY A 54 -1.338 -15.887 4.354 1.00 0.00 C ATOM 846 O GLY A 54 -1.907 -14.966 4.901 1.00 0.00 O ATOM 0 H GLY A 54 -0.858 -18.017 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.739 -15.359 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.600 -16.783 2.845 1.00 0.00 H new ATOM 850 N GLY A 55 -0.439 -16.594 4.983 1.00 0.00 N ATOM 851 CA GLY A 55 -0.097 -16.274 6.396 1.00 0.00 C ATOM 852 C GLY A 55 0.943 -15.154 6.424 1.00 0.00 C ATOM 853 O GLY A 55 1.120 -14.482 7.421 1.00 0.00 O ATOM 0 H GLY A 55 0.072 -17.379 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.992 -15.968 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.293 -17.160 6.897 1.00 0.00 H new ATOM 857 N LYS A 56 1.633 -14.950 5.337 1.00 0.00 N ATOM 858 CA LYS A 56 2.663 -13.877 5.303 1.00 0.00 C ATOM 859 C LYS A 56 2.015 -12.561 4.872 1.00 0.00 C ATOM 860 O LYS A 56 2.536 -11.492 5.121 1.00 0.00 O ATOM 861 CB LYS A 56 3.766 -14.259 4.315 1.00 0.00 C ATOM 862 CG LYS A 56 5.109 -13.725 4.819 1.00 0.00 C ATOM 863 CD LYS A 56 5.838 -14.821 5.599 1.00 0.00 C ATOM 864 CE LYS A 56 6.805 -15.554 4.668 1.00 0.00 C ATOM 865 NZ LYS A 56 6.030 -16.395 3.713 1.00 0.00 N ATOM 0 H LYS A 56 1.528 -15.480 4.472 1.00 0.00 H new ATOM 0 HA LYS A 56 3.096 -13.756 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.811 -15.342 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.545 -13.848 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.719 -13.396 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.950 -12.856 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.383 -14.385 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.118 -15.523 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.417 -14.836 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.485 -16.177 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.667 -17.078 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.285 -16.907 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.597 -15.788 2.988 1.00 0.00 H new ATOM 879 N LEU A 57 0.878 -12.626 4.234 1.00 0.00 N ATOM 880 CA LEU A 57 0.200 -11.374 3.799 1.00 0.00 C ATOM 881 C LEU A 57 -0.577 -10.788 4.978 1.00 0.00 C ATOM 882 O LEU A 57 -0.361 -9.662 5.377 1.00 0.00 O ATOM 883 CB LEU A 57 -0.767 -11.685 2.659 1.00 0.00 C ATOM 884 CG LEU A 57 -1.036 -10.409 1.859 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.095 -10.693 0.797 1.00 0.00 C ATOM 886 CD2 LEU A 57 -1.540 -9.313 2.801 1.00 0.00 C ATOM 0 H LEU A 57 0.391 -13.490 3.996 1.00 0.00 H new ATOM 0 HA LEU A 57 0.945 -10.656 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.346 -12.453 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.701 -12.081 3.057 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.115 -10.079 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.289 -9.786 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.738 -11.475 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.015 -11.021 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.732 -8.404 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.462 -9.642 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.786 -9.112 3.562 1.00 0.00 H new ATOM 898 N GLN A 58 -1.476 -11.543 5.543 1.00 0.00 N ATOM 899 CA GLN A 58 -2.253 -11.019 6.697 1.00 0.00 C ATOM 900 C GLN A 58 -1.283 -10.376 7.688 1.00 0.00 C ATOM 901 O GLN A 58 -1.681 -9.706 8.619 1.00 0.00 O ATOM 902 CB GLN A 58 -3.005 -12.167 7.374 1.00 0.00 C ATOM 903 CG GLN A 58 -3.895 -12.869 6.346 1.00 0.00 C ATOM 904 CD GLN A 58 -4.657 -11.825 5.525 1.00 0.00 C ATOM 905 OE1 GLN A 58 -5.795 -11.519 5.818 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.073 -11.262 4.501 1.00 0.00 N ATOM 0 H GLN A 58 -1.705 -12.495 5.257 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.976 -10.278 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.298 -12.876 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.611 -11.785 8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.287 -13.490 5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.597 -13.532 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.117 -11.519 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.573 -10.566 3.948 1.00 0.00 H new ATOM 915 N GLU A 59 -0.007 -10.567 7.482 1.00 0.00 N ATOM 916 CA GLU A 59 0.996 -9.958 8.398 1.00 0.00 C ATOM 917 C GLU A 59 1.157 -8.481 8.039 1.00 0.00 C ATOM 918 O GLU A 59 0.891 -7.605 8.838 1.00 0.00 O ATOM 919 CB GLU A 59 2.338 -10.673 8.237 1.00 0.00 C ATOM 920 CG GLU A 59 3.371 -10.050 9.178 1.00 0.00 C ATOM 921 CD GLU A 59 4.621 -10.929 9.220 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.523 -12.082 8.833 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.656 -10.436 9.639 1.00 0.00 O ATOM 0 H GLU A 59 0.382 -11.119 6.718 1.00 0.00 H new ATOM 0 HA GLU A 59 0.662 -10.055 9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.224 -11.734 8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.680 -10.597 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.630 -9.047 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.952 -9.948 10.179 1.00 0.00 H new ATOM 930 N MET A 60 1.575 -8.196 6.834 1.00 0.00 N ATOM 931 CA MET A 60 1.731 -6.775 6.424 1.00 0.00 C ATOM 932 C MET A 60 0.347 -6.140 6.346 1.00 0.00 C ATOM 933 O MET A 60 0.193 -4.944 6.493 1.00 0.00 O ATOM 934 CB MET A 60 2.411 -6.700 5.053 1.00 0.00 C ATOM 935 CG MET A 60 1.541 -7.407 4.014 1.00 0.00 C ATOM 936 SD MET A 60 0.275 -6.270 3.405 1.00 0.00 S ATOM 937 CE MET A 60 0.258 -6.854 1.692 1.00 0.00 C ATOM 0 H MET A 60 1.814 -8.885 6.120 1.00 0.00 H new ATOM 0 HA MET A 60 2.347 -6.244 7.150 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.564 -5.659 4.767 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.395 -7.166 5.097 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.158 -7.757 3.186 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.072 -8.286 4.456 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.753 -6.779 1.292 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.931 -6.242 1.092 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.586 -7.893 1.659 1.00 0.00 H new ATOM 947 N MET A 61 -0.667 -6.934 6.126 1.00 0.00 N ATOM 948 CA MET A 61 -2.041 -6.371 6.054 1.00 0.00 C ATOM 949 C MET A 61 -2.186 -5.313 7.145 1.00 0.00 C ATOM 950 O MET A 61 -2.680 -4.228 6.910 1.00 0.00 O ATOM 951 CB MET A 61 -3.070 -7.485 6.273 1.00 0.00 C ATOM 952 CG MET A 61 -4.482 -6.901 6.193 1.00 0.00 C ATOM 953 SD MET A 61 -5.626 -7.959 7.115 1.00 0.00 S ATOM 954 CE MET A 61 -7.016 -6.801 7.163 1.00 0.00 C ATOM 0 H MET A 61 -0.601 -7.943 5.994 1.00 0.00 H new ATOM 0 HA MET A 61 -2.212 -5.925 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.944 -8.263 5.520 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.913 -7.953 7.245 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.493 -5.891 6.603 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.798 -6.826 5.152 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.850 -7.256 7.697 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.712 -5.888 7.676 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.324 -6.560 6.146 1.00 0.00 H new ATOM 964 N LYS A 62 -1.740 -5.613 8.335 1.00 0.00 N ATOM 965 CA LYS A 62 -1.835 -4.613 9.431 1.00 0.00 C ATOM 966 C LYS A 62 -1.014 -3.389 9.034 1.00 0.00 C ATOM 967 O LYS A 62 -1.473 -2.266 9.113 1.00 0.00 O ATOM 968 CB LYS A 62 -1.278 -5.209 10.725 1.00 0.00 C ATOM 969 CG LYS A 62 -2.025 -6.502 11.057 1.00 0.00 C ATOM 970 CD LYS A 62 -1.065 -7.494 11.715 1.00 0.00 C ATOM 971 CE LYS A 62 -1.856 -8.687 12.255 1.00 0.00 C ATOM 972 NZ LYS A 62 -2.941 -8.199 13.151 1.00 0.00 N ATOM 0 H LYS A 62 -1.316 -6.504 8.593 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.876 -4.333 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.212 -5.411 10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.385 -4.495 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.860 -6.290 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.445 -6.935 10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.323 -7.833 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.521 -7.008 12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.281 -9.259 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.194 -9.359 12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.148 -8.921 13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.636 -7.322 13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.797 -8.013 12.590 1.00 0.00 H new ATOM 986 N GLU A 63 0.197 -3.599 8.592 1.00 0.00 N ATOM 987 CA GLU A 63 1.046 -2.452 8.172 1.00 0.00 C ATOM 988 C GLU A 63 0.383 -1.761 6.979 1.00 0.00 C ATOM 989 O GLU A 63 0.454 -0.558 6.827 1.00 0.00 O ATOM 990 CB GLU A 63 2.432 -2.964 7.770 1.00 0.00 C ATOM 991 CG GLU A 63 3.487 -1.910 8.110 1.00 0.00 C ATOM 992 CD GLU A 63 4.881 -2.529 7.998 1.00 0.00 C ATOM 993 OE1 GLU A 63 4.961 -3.706 7.684 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.846 -1.819 8.230 1.00 0.00 O ATOM 0 H GLU A 63 0.633 -4.517 8.504 1.00 0.00 H new ATOM 0 HA GLU A 63 1.153 -1.745 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.652 -3.895 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.454 -3.184 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.399 -1.061 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.326 -1.531 9.119 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.275 -2.515 6.137 1.00 0.00 N ATOM 1002 CA PHE A 64 -0.957 -1.904 4.962 1.00 0.00 C ATOM 1003 C PHE A 64 -2.169 -1.115 5.459 1.00 0.00 C ATOM 1004 O PHE A 64 -2.376 0.027 5.096 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.434 -3.005 4.012 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.223 -2.571 2.578 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.395 -1.228 2.215 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -0.851 -3.513 1.613 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.192 -0.833 0.887 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -0.651 -3.117 0.286 1.00 0.00 C ATOM 1011 CZ PHE A 64 -0.821 -1.777 -0.077 1.00 0.00 C ATOM 0 H PHE A 64 -0.368 -3.528 6.214 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.265 -1.247 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.888 -3.928 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.489 -3.217 4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.684 -0.499 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.718 -4.548 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.322 0.202 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.365 -3.846 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.666 -1.471 -1.101 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.972 -1.724 6.291 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.176 -1.027 6.821 1.00 0.00 C ATOM 1023 C GLN A 65 -3.749 0.044 7.825 1.00 0.00 C ATOM 1024 O GLN A 65 -4.559 0.801 8.322 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.086 -2.042 7.518 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.162 -1.299 8.312 1.00 0.00 C ATOM 1027 CD GLN A 65 -5.660 -1.041 9.734 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -6.434 -0.727 10.617 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -4.386 -1.159 9.996 1.00 0.00 N ATOM 0 H GLN A 65 -2.843 -2.679 6.627 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.714 -0.558 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.550 -2.697 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.500 -2.676 8.184 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.403 -0.355 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.079 -1.887 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.735 -1.422 9.256 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.042 -0.988 10.941 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.481 0.123 8.122 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.011 1.156 9.084 1.00 0.00 C ATOM 1040 C GLN A 66 -1.763 2.445 8.311 1.00 0.00 C ATOM 1041 O GLN A 66 -1.877 3.536 8.834 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.710 0.695 9.747 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.024 -0.365 10.805 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.844 0.235 12.200 1.00 0.00 C ATOM 1045 OE1 GLN A 66 0.239 0.205 12.752 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.867 0.780 12.799 1.00 0.00 N ATOM 0 H GLN A 66 -1.753 -0.481 7.741 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.760 1.316 9.859 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.032 0.286 8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.203 1.544 10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.045 -0.725 10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.366 -1.225 10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.775 0.805 12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.758 1.181 13.731 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.433 2.318 7.057 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.183 3.518 6.219 1.00 0.00 C ATOM 1057 C VAL A 67 -2.506 3.971 5.599 1.00 0.00 C ATOM 1058 O VAL A 67 -2.868 5.129 5.652 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.192 3.149 5.116 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.822 4.280 4.937 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.545 1.865 5.507 1.00 0.00 C ATOM 0 H VAL A 67 -1.325 1.426 6.575 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.770 4.326 6.823 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.731 2.994 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.528 4.015 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.300 5.197 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.362 4.436 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.253 1.599 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.082 2.024 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.175 1.057 5.636 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.231 3.055 5.017 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.538 3.408 4.393 1.00 0.00 C ATOM 1073 C LEU A 68 -5.236 4.484 5.228 1.00 0.00 C ATOM 1074 O LEU A 68 -5.667 5.498 4.716 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.414 2.155 4.336 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.806 2.512 3.809 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.613 3.218 4.903 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.678 3.440 2.598 1.00 0.00 C ATOM 0 H LEU A 68 -2.972 2.071 4.947 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.373 3.791 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.952 1.408 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.495 1.712 5.329 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.318 1.596 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.602 3.469 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.714 2.558 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.098 4.130 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.671 3.692 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.159 4.352 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.113 2.938 1.813 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.355 4.272 6.510 1.00 0.00 N ATOM 1091 CA ASP A 69 -6.028 5.282 7.374 1.00 0.00 C ATOM 1092 C ASP A 69 -5.061 6.434 7.660 1.00 0.00 C ATOM 1093 O ASP A 69 -5.450 7.584 7.709 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.444 4.626 8.692 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.565 5.440 9.339 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -8.395 5.956 8.607 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.578 5.533 10.555 1.00 0.00 O ATOM 0 H ASP A 69 -5.015 3.442 6.996 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.911 5.668 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.780 3.605 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.589 4.566 9.366 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.805 6.135 7.850 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.819 7.216 8.131 1.00 0.00 C ATOM 1104 C GLU A 70 -2.903 8.281 7.039 1.00 0.00 C ATOM 1105 O GLU A 70 -3.327 9.395 7.277 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.406 6.629 8.160 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.455 7.608 8.855 1.00 0.00 C ATOM 1108 CD GLU A 70 0.195 6.922 10.058 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.536 6.403 10.886 1.00 0.00 O ATOM 1110 OE2 GLU A 70 1.413 6.928 10.132 1.00 0.00 O ATOM 0 H GLU A 70 -3.420 5.191 7.823 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.045 7.666 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.409 5.674 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.063 6.432 7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.312 7.944 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.001 8.494 9.179 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.504 7.951 5.840 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.566 8.953 4.741 1.00 0.00 C ATOM 1119 C ILE A 71 -3.973 9.548 4.680 1.00 0.00 C ATOM 1120 O ILE A 71 -4.146 10.730 4.455 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.232 8.286 3.405 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.413 7.018 3.654 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.419 9.255 2.545 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.620 6.667 2.391 1.00 0.00 C ATOM 0 H ILE A 71 -2.140 7.035 5.576 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.841 9.744 4.933 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.156 8.024 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.734 7.170 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.073 6.193 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.179 8.783 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.001 10.159 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.496 9.515 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.036 5.764 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.309 6.498 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.050 7.490 2.142 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.981 8.743 4.886 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.371 9.275 4.846 1.00 0.00 C ATOM 1138 C LYS A 72 -6.447 10.528 5.716 1.00 0.00 C ATOM 1139 O LYS A 72 -7.189 11.447 5.436 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.343 8.219 5.381 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.750 8.494 4.841 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.747 8.527 6.000 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.124 8.940 5.475 1.00 0.00 C ATOM 1144 NZ LYS A 72 -12.185 8.261 6.272 1.00 0.00 N ATOM 0 H LYS A 72 -4.901 7.745 5.079 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.642 9.521 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.016 7.224 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.351 8.237 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.766 9.444 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.033 7.722 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.805 7.546 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.411 9.229 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.241 10.022 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.218 8.673 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.121 8.542 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.077 7.230 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.099 8.537 7.271 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.677 10.575 6.768 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.696 11.775 7.649 1.00 0.00 C ATOM 1160 C GLN A 73 -5.013 12.934 6.922 1.00 0.00 C ATOM 1161 O GLN A 73 -5.465 14.061 6.966 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.947 11.470 8.948 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.933 12.718 9.833 1.00 0.00 C ATOM 1164 CD GLN A 73 -4.116 12.439 11.096 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -2.917 12.266 11.031 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -4.721 12.390 12.251 1.00 0.00 N ATOM 0 H GLN A 73 -5.036 9.835 7.055 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.726 12.043 7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.428 10.644 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.927 11.156 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.504 13.559 9.288 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.952 12.998 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.729 12.536 12.305 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.186 12.206 13.100 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.929 12.663 6.245 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.223 13.749 5.508 1.00 0.00 C ATOM 1177 C GLN A 74 -4.244 14.538 4.688 1.00 0.00 C ATOM 1178 O GLN A 74 -4.030 15.685 4.348 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.175 13.141 4.569 1.00 0.00 C ATOM 1180 CG GLN A 74 -0.825 13.820 4.806 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.269 13.401 6.168 1.00 0.00 C ATOM 1182 OE1 GLN A 74 -0.842 12.566 6.840 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.833 13.946 6.607 1.00 0.00 N ATOM 0 H GLN A 74 -3.503 11.739 6.171 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.726 14.410 6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.091 12.069 4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.482 13.270 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.125 13.545 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.940 14.903 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.315 14.647 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.212 13.671 7.513 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.353 13.930 4.369 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.392 14.640 3.573 1.00 0.00 C ATOM 1194 C LEU A 75 -7.055 15.708 4.443 1.00 0.00 C ATOM 1195 O LEU A 75 -8.222 16.013 4.289 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.445 13.636 3.098 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.910 12.865 1.890 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.618 13.840 0.747 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.621 12.138 2.279 1.00 0.00 C ATOM 0 H LEU A 75 -5.584 12.970 4.626 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.929 15.114 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.692 12.944 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.365 14.157 2.832 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.655 12.139 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.237 13.289 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.535 14.359 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.874 14.568 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.239 11.588 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.877 12.865 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.827 11.442 3.092 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.320 16.285 5.356 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.909 17.336 6.233 1.00 0.00 C ATOM 1213 C GLN A 76 -6.985 18.651 5.456 1.00 0.00 C ATOM 1214 O GLN A 76 -7.639 19.590 5.866 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.029 17.523 7.472 1.00 0.00 C ATOM 1216 CG GLN A 76 -6.835 18.216 8.573 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.837 17.231 9.177 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -8.598 17.583 10.056 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -7.870 16.001 8.741 1.00 0.00 N ATOM 0 H GLN A 76 -5.338 16.073 5.532 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.909 17.035 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.669 16.556 7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.151 18.118 7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.165 18.589 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.360 19.079 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.232 15.704 8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.534 15.337 9.138 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.321 18.725 4.335 1.00 0.00 N ATOM 1229 CA GLY A 77 -6.355 19.977 3.527 1.00 0.00 C ATOM 1230 C GLY A 77 -4.949 20.291 3.013 1.00 0.00 C ATOM 1231 O GLY A 77 -4.042 20.554 3.778 1.00 0.00 O ATOM 0 H GLY A 77 -5.756 17.972 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.043 19.863 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.725 20.804 4.133 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.761 20.267 1.722 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.413 20.566 1.159 1.00 0.00 C ATOM 1237 C GLY A 78 -2.993 19.442 0.210 1.00 0.00 C ATOM 1238 O GLY A 78 -2.454 19.685 -0.852 1.00 0.00 O ATOM 0 H GLY A 78 -5.482 20.053 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.433 21.517 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.685 20.667 1.964 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.229 18.214 0.585 1.00 0.00 N ATOM 1243 CA ASP A 79 -2.838 17.078 -0.297 1.00 0.00 C ATOM 1244 C ASP A 79 -4.038 16.642 -1.139 1.00 0.00 C ATOM 1245 O ASP A 79 -4.349 15.471 -1.234 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.366 15.903 0.563 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.993 16.004 1.955 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.160 16.347 2.033 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.294 15.736 2.919 1.00 0.00 O ATOM 0 H ASP A 79 -3.675 17.949 1.463 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.030 17.396 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.646 14.960 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.279 15.909 0.641 1.00 0.00 H new ATOM 1254 N ASN A 80 -4.714 17.571 -1.756 1.00 0.00 N ATOM 1255 CA ASN A 80 -5.889 17.200 -2.592 1.00 0.00 C ATOM 1256 C ASN A 80 -5.450 16.188 -3.652 1.00 0.00 C ATOM 1257 O ASN A 80 -6.253 15.674 -4.404 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.450 18.450 -3.274 1.00 0.00 C ATOM 1259 CG ASN A 80 -5.492 18.903 -4.376 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -4.483 18.271 -4.620 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -5.765 19.981 -5.059 1.00 0.00 N ATOM 0 H ASN A 80 -4.504 18.568 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.662 16.759 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.432 18.237 -3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.583 19.247 -2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.132 20.292 -5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.611 20.513 -4.856 1.00 0.00 H new ATOM 1268 N SER A 81 -4.182 15.883 -3.701 1.00 0.00 N ATOM 1269 CA SER A 81 -3.694 14.890 -4.693 1.00 0.00 C ATOM 1270 C SER A 81 -3.913 13.503 -4.106 1.00 0.00 C ATOM 1271 O SER A 81 -4.397 12.603 -4.766 1.00 0.00 O ATOM 1272 CB SER A 81 -2.205 15.110 -4.956 1.00 0.00 C ATOM 1273 OG SER A 81 -1.942 14.939 -6.341 1.00 0.00 O ATOM 0 H SER A 81 -3.464 16.280 -3.095 1.00 0.00 H new ATOM 0 HA SER A 81 -4.231 14.996 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.912 16.111 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.613 14.405 -4.372 1.00 0.00 H new ATOM 0 HG SER A 81 -1.023 14.621 -6.463 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.583 13.331 -2.855 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.801 12.012 -2.213 1.00 0.00 C ATOM 1281 C LEU A 82 -5.278 11.665 -2.353 1.00 0.00 C ATOM 1282 O LEU A 82 -5.647 10.541 -2.626 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.430 12.092 -0.738 1.00 0.00 C ATOM 1284 CG LEU A 82 -1.938 11.819 -0.588 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.158 12.742 -1.523 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.506 12.081 0.851 1.00 0.00 C ATOM 0 H LEU A 82 -3.173 14.047 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.183 11.249 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.675 13.077 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.006 11.365 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.736 10.778 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.090 12.549 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.461 12.556 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.366 13.781 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.439 11.884 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.709 13.120 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.061 11.426 1.522 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.126 12.644 -2.185 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.585 12.398 -2.323 1.00 0.00 C ATOM 1300 C HIS A 83 -7.818 11.543 -3.565 1.00 0.00 C ATOM 1301 O HIS A 83 -8.810 10.853 -3.685 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.315 13.733 -2.479 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.669 13.645 -1.830 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -9.890 14.054 -0.523 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.883 13.201 -2.295 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.193 13.850 -0.248 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.839 13.333 -1.295 1.00 0.00 N ATOM 0 H HIS A 83 -5.868 13.604 -1.958 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.963 11.885 -1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.733 14.533 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.422 13.980 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.066 12.810 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.657 14.076 0.701 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.827 13.086 -1.350 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.899 11.584 -4.490 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.048 10.776 -5.730 1.00 0.00 C ATOM 1318 C ASN A 84 -6.165 9.532 -5.630 1.00 0.00 C ATOM 1319 O ASN A 84 -6.503 8.478 -6.133 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.618 11.611 -6.938 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.614 12.752 -7.151 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.396 12.724 -8.081 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.620 13.761 -6.325 1.00 0.00 N ATOM 0 H ASN A 84 -6.049 12.145 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.089 10.477 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.617 12.013 -6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.571 10.984 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.281 14.526 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.964 13.785 -5.544 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.035 9.642 -4.983 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.136 8.467 -4.853 1.00 0.00 C ATOM 1332 C VAL A 85 -4.516 7.677 -3.601 1.00 0.00 C ATOM 1333 O VAL A 85 -4.627 6.468 -3.631 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.692 8.957 -4.737 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.736 7.872 -5.231 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.513 10.216 -5.588 1.00 0.00 C ATOM 0 H VAL A 85 -4.699 10.497 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.234 7.823 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.472 9.184 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.709 8.226 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.861 6.974 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.955 7.641 -6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.484 10.567 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.737 9.986 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.190 10.993 -5.235 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.727 8.348 -2.502 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.111 7.625 -1.259 1.00 0.00 C ATOM 1348 C HIS A 86 -6.267 6.675 -1.584 1.00 0.00 C ATOM 1349 O HIS A 86 -6.421 5.635 -0.975 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.540 8.641 -0.188 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.712 8.105 0.594 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -8.012 8.540 0.370 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.796 7.171 1.597 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.814 7.872 1.219 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -8.123 7.028 1.986 1.00 0.00 N ATOM 0 H HIS A 86 -4.650 9.361 -2.412 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.266 7.052 -0.877 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.707 8.846 0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.809 9.586 -0.659 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.305 9.238 -0.313 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.961 6.631 2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.885 8.003 1.273 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.075 7.025 -2.547 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.218 6.146 -2.921 1.00 0.00 C ATOM 1366 C GLU A 87 -7.676 4.837 -3.498 1.00 0.00 C ATOM 1367 O GLU A 87 -8.336 3.817 -3.478 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.079 6.849 -3.973 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.557 6.577 -3.689 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.372 6.804 -4.963 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.770 6.873 -6.022 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.583 6.904 -4.858 1.00 0.00 O ATOM 0 H GLU A 87 -6.992 7.883 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.824 5.936 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.886 7.922 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.818 6.492 -4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.688 5.553 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.913 7.234 -2.895 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.476 4.859 -4.010 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.889 3.618 -4.587 1.00 0.00 C ATOM 1381 C ASN A 88 -5.719 2.576 -3.480 1.00 0.00 C ATOM 1382 O ASN A 88 -6.368 1.549 -3.482 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.526 3.935 -5.204 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.676 5.071 -6.218 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.775 5.486 -6.525 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.608 5.595 -6.755 1.00 0.00 N ATOM 0 H ASN A 88 -5.877 5.683 -4.053 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.552 3.226 -5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.820 4.220 -4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.121 3.049 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.697 6.353 -7.432 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.684 5.247 -6.498 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.849 2.831 -2.538 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.634 1.854 -1.431 1.00 0.00 C ATOM 1395 C ILE A 89 -5.951 1.139 -1.114 1.00 0.00 C ATOM 1396 O ILE A 89 -6.060 -0.064 -1.233 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.137 2.595 -0.182 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.713 3.103 -0.433 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.132 1.647 1.026 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.959 3.212 0.897 1.00 0.00 C ATOM 0 H ILE A 89 -4.278 3.675 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.889 1.119 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.801 3.434 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.188 2.424 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.745 4.076 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.778 2.182 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.143 1.281 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.472 0.804 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.947 3.574 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.479 3.909 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.913 2.231 1.371 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.951 1.871 -0.705 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.254 1.230 -0.369 1.00 0.00 C ATOM 1414 C LYS A 90 -8.597 0.170 -1.417 1.00 0.00 C ATOM 1415 O LYS A 90 -9.153 -0.862 -1.104 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.357 2.290 -0.337 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.722 1.602 -0.428 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.760 2.390 0.377 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.197 3.620 -0.420 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.560 3.389 -0.976 1.00 0.00 N ATOM 0 H LYS A 90 -6.922 2.884 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.176 0.757 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.291 2.873 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.232 2.987 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.034 1.532 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.651 0.583 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.622 1.759 0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.338 2.695 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.198 4.501 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.491 3.814 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.860 4.224 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.544 2.558 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.229 3.224 -0.197 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.272 0.408 -2.657 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.582 -0.602 -3.708 1.00 0.00 C ATOM 1436 C GLU A 91 -7.359 -1.496 -3.916 1.00 0.00 C ATOM 1437 O GLU A 91 -7.468 -2.698 -4.056 1.00 0.00 O ATOM 1438 CB GLU A 91 -8.928 0.109 -5.019 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.147 -0.561 -5.656 1.00 0.00 C ATOM 1440 CD GLU A 91 -10.387 0.030 -7.047 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -10.905 1.133 -7.118 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -10.051 -0.630 -8.015 1.00 0.00 O ATOM 0 H GLU A 91 -7.807 1.254 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.432 -1.208 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.136 1.162 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.079 0.069 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.987 -1.637 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.026 -0.411 -5.029 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.195 -0.912 -3.926 1.00 0.00 N ATOM 1450 CA ILE A 92 -4.952 -1.710 -4.112 1.00 0.00 C ATOM 1451 C ILE A 92 -4.737 -2.597 -2.882 1.00 0.00 C ATOM 1452 O ILE A 92 -4.645 -3.804 -2.974 1.00 0.00 O ATOM 1453 CB ILE A 92 -3.766 -0.750 -4.259 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.458 -0.534 -5.745 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.533 -1.329 -3.556 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.625 -1.701 -6.277 1.00 0.00 C ATOM 0 H ILE A 92 -6.050 0.091 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.037 -2.334 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.022 0.205 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.387 -0.451 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.917 0.403 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.695 -0.641 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.751 -1.470 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.275 -2.288 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.409 -1.542 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.690 -1.764 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.182 -2.630 -6.156 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.642 -1.991 -1.736 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.417 -2.766 -0.486 1.00 0.00 C ATOM 1470 C PHE A 93 -5.457 -3.880 -0.357 1.00 0.00 C ATOM 1471 O PHE A 93 -5.149 -4.978 0.061 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.521 -1.811 0.702 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.793 -2.583 1.960 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.130 -3.789 2.200 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.708 -2.086 2.892 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.381 -4.500 3.375 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.962 -2.794 4.067 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.299 -4.004 4.311 1.00 0.00 C ATOM 0 H PHE A 93 -4.711 -0.981 -1.609 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.429 -3.225 -0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.595 -1.245 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.319 -1.089 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.424 -4.171 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.219 -1.153 2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.868 -5.432 3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.669 -2.410 4.788 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.495 -4.554 5.220 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.683 -3.615 -0.711 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.722 -4.677 -0.600 1.00 0.00 C ATOM 1490 C HIS A 94 -7.689 -5.557 -1.850 1.00 0.00 C ATOM 1491 O HIS A 94 -8.423 -6.519 -1.960 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.103 -4.033 -0.463 1.00 0.00 C ATOM 1493 CG HIS A 94 -9.698 -4.390 0.872 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -10.114 -3.424 1.777 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -9.951 -5.600 1.471 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -10.593 -4.063 2.861 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -10.515 -5.388 2.723 1.00 0.00 N ATOM 0 H HIS A 94 -7.009 -2.717 -1.069 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.521 -5.289 0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.021 -2.950 -0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.756 -4.375 -1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.744 -6.567 1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -10.991 -3.565 3.733 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.808 -6.097 3.396 1.00 0.00 H new ATOM 1506 N HIS A 95 -6.840 -5.244 -2.792 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.769 -6.079 -4.025 1.00 0.00 C ATOM 1508 C HIS A 95 -5.830 -7.258 -3.770 1.00 0.00 C ATOM 1509 O HIS A 95 -5.920 -8.287 -4.409 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.245 -5.242 -5.194 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.407 -4.737 -6.007 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -8.444 -5.566 -6.412 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.709 -3.490 -6.499 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -9.313 -4.816 -7.115 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.911 -3.546 -7.196 1.00 0.00 N ATOM 0 H HIS A 95 -6.197 -4.452 -2.762 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.764 -6.446 -4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.656 -4.404 -4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.584 -5.843 -5.818 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.106 -2.604 -6.365 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.222 -5.195 -7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.386 -2.778 -7.670 1.00 0.00 H new ATOM 1524 N LEU A 96 -4.938 -7.119 -2.828 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.006 -8.236 -2.516 1.00 0.00 C ATOM 1526 C LEU A 96 -4.766 -9.281 -1.702 1.00 0.00 C ATOM 1527 O LEU A 96 -4.887 -10.424 -2.096 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.828 -7.708 -1.696 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.520 -8.360 -2.162 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.463 -8.180 -1.076 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.726 -9.859 -2.410 1.00 0.00 C ATOM 0 H LEU A 96 -4.815 -6.280 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.627 -8.677 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.760 -6.625 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.990 -7.917 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.200 -7.887 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.471 -8.640 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.301 -7.117 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.803 -8.654 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.788 -10.305 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.052 -10.339 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.485 -10.000 -3.179 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.290 -8.894 -0.570 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.050 -9.867 0.258 1.00 0.00 C ATOM 1545 C GLU A 97 -7.071 -10.574 -0.633 1.00 0.00 C ATOM 1546 O GLU A 97 -7.709 -11.526 -0.234 1.00 0.00 O ATOM 1547 CB GLU A 97 -6.779 -9.128 1.382 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.213 -10.130 2.454 1.00 0.00 C ATOM 1549 CD GLU A 97 -7.722 -9.376 3.683 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -7.908 -8.174 3.582 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -7.917 -10.012 4.706 1.00 0.00 O ATOM 0 H GLU A 97 -5.224 -7.951 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.367 -10.595 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.126 -8.373 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.649 -8.606 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.996 -10.780 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.375 -10.770 2.729 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.222 -10.109 -1.845 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.192 -10.747 -2.776 1.00 0.00 C ATOM 1560 C GLU A 98 -7.476 -11.839 -3.573 1.00 0.00 C ATOM 1561 O GLU A 98 -8.035 -12.882 -3.850 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.749 -9.691 -3.735 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.541 -10.376 -4.849 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.658 -9.445 -5.327 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -11.437 -9.011 -4.494 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -10.713 -9.182 -6.517 1.00 0.00 O ATOM 0 H GLU A 98 -6.713 -9.313 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.013 -11.186 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.391 -8.996 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.934 -9.106 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.880 -10.625 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.964 -11.313 -4.486 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.239 -11.614 -3.935 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.491 -12.647 -4.703 1.00 0.00 C ATOM 1575 C LEU A 99 -5.213 -13.839 -3.787 1.00 0.00 C ATOM 1576 O LEU A 99 -4.673 -14.845 -4.200 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.165 -12.057 -5.193 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.327 -11.530 -6.621 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.568 -10.210 -6.767 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.758 -12.554 -7.604 1.00 0.00 C ATOM 0 H LEU A 99 -5.718 -10.761 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.080 -12.970 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.849 -11.250 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.385 -12.818 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.384 -11.366 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.683 -9.835 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.968 -9.480 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.511 -10.373 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.871 -12.183 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.701 -12.714 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.296 -13.496 -7.500 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.586 -13.727 -2.541 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.355 -14.842 -1.582 1.00 0.00 C ATOM 1594 C VAL A 100 -6.702 -15.372 -1.092 1.00 0.00 C ATOM 1595 O VAL A 100 -6.825 -16.511 -0.689 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.535 -14.324 -0.400 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.752 -13.091 -0.838 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.466 -13.940 0.745 1.00 0.00 C ATOM 0 H VAL A 100 -6.043 -12.906 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.810 -15.649 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.851 -15.104 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.165 -12.716 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.085 -13.356 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.446 -12.318 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.877 -13.572 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.150 -13.160 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.037 -14.814 1.058 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.713 -14.549 -1.120 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.048 -15.003 -0.650 1.00 0.00 C ATOM 1610 C HIS A 101 -9.466 -16.252 -1.430 1.00 0.00 C ATOM 1611 O HIS A 101 -10.356 -16.976 -1.033 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.078 -13.893 -0.874 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.234 -14.082 0.070 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.058 -14.538 1.369 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.584 -13.880 -0.079 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.273 -14.596 1.947 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.234 -14.205 1.107 1.00 0.00 N ATOM 0 H HIS A 101 -7.671 -13.584 -1.448 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.996 -15.238 0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.618 -12.918 -0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.430 -13.912 -1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.066 -13.524 -0.977 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.448 -14.918 2.963 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.235 -14.155 1.295 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.830 -16.508 -2.541 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.190 -17.707 -3.348 1.00 0.00 C ATOM 1628 C ARG A 102 -8.584 -18.956 -2.705 1.00 0.00 C ATOM 1629 O ARG A 102 -7.621 -18.813 -1.970 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.641 -17.546 -4.767 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.626 -16.063 -5.142 1.00 0.00 C ATOM 1632 CD ARG A 102 -9.028 -15.902 -6.609 1.00 0.00 C ATOM 1633 NE ARG A 102 -8.165 -16.771 -7.458 1.00 0.00 N ATOM 1634 CZ ARG A 102 -6.952 -16.394 -7.757 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -6.496 -15.255 -7.312 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -6.198 -17.156 -8.498 1.00 0.00 N ATOM 1637 OXT ARG A 102 -9.093 -20.035 -2.960 1.00 0.00 O ATOM 0 H ARG A 102 -8.076 -15.938 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.275 -17.809 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.634 -17.958 -4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.257 -18.104 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.313 -15.509 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.632 -15.646 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.076 -16.171 -6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.925 -14.860 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.523 -17.661 -7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.088 -14.661 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.548 -14.959 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.556 -18.046 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.250 -16.862 -8.732 1.00 0.00 H new TER 1651 ARG A 102