USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1061 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 130 THR OG1 : rot -17:sc= 1.21 USER MOD Set 1.2: A 131 MET CE :methyl -166:sc=-0.00418 (180deg=-0.0207) USER MOD Set 2.1: A 91 HIS : no HD1:sc= 0.964 K(o=0.54,f=-10!) USER MOD Set 2.2: A 115 HIS : no HD1:sc= -0.425 K(o=0.54,f=-2.3) USER MOD Set 3.1: A 108 GLN : amide:sc= 0.938 K(o=1.8,f=-7.3!) USER MOD Set 3.2: A 110 HIS : no HE2:sc= 0.864 K(o=1.8,f=-4.8!) USER MOD Set 4.1: A 55 GLN : amide:sc= 0.863 K(o=0.64,f=-2) USER MOD Set 4.2: A 58 CYS SG : rot 80:sc= -1.7 USER MOD Set 4.3: A 100 GLN : amide:sc= 1.49 K(o=0.64,f=-4.4) USER MOD Set 5.1: A 40 TYR OH : rot 28:sc= 0.888 USER MOD Set 5.2: A 89 MET CE :methyl -110:sc= -0.213 (180deg=-0.505) USER MOD Set 6.1: A 82 HIS : no HD1:sc= -0.154 K(o=-0.56,f=-9.3!) USER MOD Set 6.2: A 88 SER OG : rot 103:sc= -0.401 USER MOD Set 7.1: A 78 ASN : amide:sc= 0.534 K(o=0.52,f=-5.9!) USER MOD Set 7.2: A 80 HIS : no HD1:sc=-0.00961 X(o=0.52,f=0.45) USER MOD Set 8.1: A 73 CYS SG : rot 34:sc= -0.194 USER MOD Set 8.2: A 75 THR OG1 : rot -94:sc= 0.34 USER MOD Set 8.3: A 116 THR OG1 : rot 140:sc= 0.447 USER MOD Set 9.1: A 30 ASN : amide:sc= 0.258 X(o=0.46,f=-0.013) USER MOD Set 9.2: A 69 TYR OH : rot 54:sc= 0.206 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.754 (180deg=-0.0917) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0.898 (180deg=0.893) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0.987 (180deg=0.732) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0863 USER MOD Single : A 9 MET CE :methyl -176:sc= -0.316 (180deg=-0.4) USER MOD Single : A 11 ASN : amide:sc= 0.0432 K(o=0.043,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0145 K(o=-0.015,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 77:sc= 0.876 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.59 K(o=1.6,f=-5.7!) USER MOD Single : A 41 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= 0.202 K(o=0.2,f=-2.6!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.172 USER MOD Single : A 62 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -70:sc= 0.504 USER MOD Single : A 87 MET CE :methyl 178:sc= -0.457 (180deg=-0.484) USER MOD Single : A 96 THR OG1 : rot 64:sc= 0.44 USER MOD Single : A 98 SER OG : rot 180:sc= -0.373 USER MOD Single : A 99 CYS SG : rot 68:sc= -0.238 USER MOD Single : A 105 HIS : no HE2:sc= -0.0453 K(o=-0.045,f=-1.5) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -165:sc= -0.012 (180deg=-0.249) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.0787 K(o=-0.079,f=-7.9!) USER MOD Single : A 137 MET CE :methyl 166:sc= 0 (180deg=-0.402) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 167:sc= 0.986 (180deg=0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.511 -0.785 -16.402 1.00 0.00 N ATOM 2 CA MET A 1 -4.676 0.217 -15.750 1.00 0.00 C ATOM 3 C MET A 1 -5.012 0.335 -14.269 1.00 0.00 C ATOM 4 O MET A 1 -6.079 0.827 -13.901 1.00 0.00 O ATOM 5 CB MET A 1 -4.837 1.569 -16.442 1.00 0.00 C ATOM 6 CG MET A 1 -4.231 1.639 -17.837 1.00 0.00 C ATOM 7 SD MET A 1 -4.545 3.216 -18.654 1.00 0.00 S ATOM 8 CE MET A 1 -6.209 2.958 -19.261 1.00 0.00 C ATOM 0 H1 MET A 1 -4.909 -1.539 -16.790 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.171 -1.191 -15.709 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.049 -0.340 -17.173 1.00 0.00 H new ATOM 0 HA MET A 1 -3.637 -0.102 -15.833 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.899 1.805 -16.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.378 2.338 -15.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.155 1.477 -17.770 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.637 0.832 -18.446 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.545 3.849 -19.791 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.220 2.106 -19.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.876 2.762 -18.422 1.00 0.00 H new ATOM 18 N ALA A 2 -4.095 -0.120 -13.422 1.00 0.00 N ATOM 19 CA ALA A 2 -4.280 -0.043 -11.978 1.00 0.00 C ATOM 20 C ALA A 2 -2.974 0.294 -11.272 1.00 0.00 C ATOM 21 O ALA A 2 -1.908 -0.192 -11.652 1.00 0.00 O ATOM 22 CB ALA A 2 -4.847 -1.351 -11.446 1.00 0.00 C ATOM 0 H ALA A 2 -3.215 -0.547 -13.711 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.990 0.758 -11.773 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.979 -1.278 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.810 -1.549 -11.917 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.158 -2.165 -11.673 1.00 0.00 H new ATOM 28 N LYS A 3 -3.061 1.129 -10.241 1.00 0.00 N ATOM 29 CA LYS A 3 -1.885 1.534 -9.481 1.00 0.00 C ATOM 30 C LYS A 3 -1.432 0.427 -8.536 1.00 0.00 C ATOM 31 O LYS A 3 -2.245 -0.357 -8.049 1.00 0.00 O ATOM 32 CB LYS A 3 -2.172 2.813 -8.693 1.00 0.00 C ATOM 33 CG LYS A 3 -2.399 4.046 -9.557 1.00 0.00 C ATOM 34 CD LYS A 3 -2.698 5.271 -8.705 1.00 0.00 C ATOM 35 CE LYS A 3 -3.101 6.460 -9.565 1.00 0.00 C ATOM 36 NZ LYS A 3 -1.990 6.910 -10.447 1.00 0.00 N ATOM 0 H LYS A 3 -3.936 1.539 -9.913 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.080 1.728 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.053 2.652 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.337 3.005 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.516 4.232 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.228 3.865 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.498 5.041 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.819 5.529 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.963 6.191 -10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.411 7.284 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.294 7.742 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.164 7.159 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.734 6.143 -11.101 1.00 0.00 H new ATOM 50 N LYS A 4 -0.129 0.370 -8.283 1.00 0.00 N ATOM 51 CA LYS A 4 0.426 -0.590 -7.336 1.00 0.00 C ATOM 52 C LYS A 4 1.800 -0.150 -6.847 1.00 0.00 C ATOM 53 O LYS A 4 2.514 0.573 -7.541 1.00 0.00 O ATOM 54 CB LYS A 4 0.513 -1.979 -7.970 1.00 0.00 C ATOM 55 CG LYS A 4 1.443 -2.064 -9.173 1.00 0.00 C ATOM 56 CD LYS A 4 1.090 -3.247 -10.062 1.00 0.00 C ATOM 57 CE LYS A 4 1.277 -4.567 -9.328 1.00 0.00 C ATOM 58 NZ LYS A 4 0.831 -5.727 -10.146 1.00 0.00 N ATOM 0 H LYS A 4 0.563 0.978 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.243 -0.635 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.850 -2.689 -7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.486 -2.289 -8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.380 -1.141 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.474 -2.157 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.056 -3.158 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.716 -3.233 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.328 -4.691 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.716 -4.545 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.214 -6.605 -9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.208 -5.771 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.175 -5.617 -11.121 1.00 0.00 H new ATOM 72 N GLY A 5 2.164 -0.589 -5.647 1.00 0.00 N ATOM 73 CA GLY A 5 3.380 -0.119 -4.995 1.00 0.00 C ATOM 74 C GLY A 5 4.231 -1.286 -4.511 1.00 0.00 C ATOM 75 O GLY A 5 3.710 -2.282 -4.010 1.00 0.00 O ATOM 0 H GLY A 5 1.633 -1.271 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.956 0.491 -5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.120 0.520 -4.151 1.00 0.00 H new ATOM 79 N TYR A 6 5.545 -1.155 -4.661 1.00 0.00 N ATOM 80 CA TYR A 6 6.478 -2.150 -4.146 1.00 0.00 C ATOM 81 C TYR A 6 7.318 -1.581 -3.010 1.00 0.00 C ATOM 82 O TYR A 6 7.805 -0.454 -3.088 1.00 0.00 O ATOM 83 CB TYR A 6 7.383 -2.666 -5.267 1.00 0.00 C ATOM 84 CG TYR A 6 6.646 -3.441 -6.338 1.00 0.00 C ATOM 85 CD1 TYR A 6 5.394 -3.974 -6.071 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.223 -3.617 -7.587 1.00 0.00 C ATOM 87 CE1 TYR A 6 4.721 -4.680 -7.049 1.00 0.00 C ATOM 88 CE2 TYR A 6 6.551 -4.323 -8.565 1.00 0.00 C ATOM 89 CZ TYR A 6 5.305 -4.854 -8.299 1.00 0.00 C ATOM 90 OH TYR A 6 4.635 -5.557 -9.274 1.00 0.00 O ATOM 0 H TYR A 6 5.988 -0.368 -5.136 1.00 0.00 H new ATOM 0 HA TYR A 6 5.895 -2.983 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.892 -1.820 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.153 -3.304 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.945 -3.837 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.198 -3.202 -7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.745 -5.095 -6.844 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.000 -4.460 -9.538 1.00 0.00 H new ATOM 0 HH TYR A 6 5.179 -5.586 -10.088 1.00 0.00 H new ATOM 100 N ILE A 7 7.484 -2.370 -1.952 1.00 0.00 N ATOM 101 CA ILE A 7 8.403 -2.022 -0.875 1.00 0.00 C ATOM 102 C ILE A 7 9.534 -3.036 -0.766 1.00 0.00 C ATOM 103 O ILE A 7 9.333 -4.157 -0.299 1.00 0.00 O ATOM 104 CB ILE A 7 7.662 -1.933 0.472 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.659 -0.777 0.454 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.652 -1.766 1.615 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.727 -0.757 1.645 1.00 0.00 C ATOM 0 H ILE A 7 6.994 -3.254 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 7 8.828 -1.047 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 7 7.113 -2.862 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.206 0.165 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.066 -0.838 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.111 -1.705 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.328 -2.621 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.228 -0.852 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.047 0.090 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.152 -1.683 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.310 -0.664 2.561 1.00 0.00 H new ATOM 119 N LEU A 8 10.724 -2.635 -1.200 1.00 0.00 N ATOM 120 CA LEU A 8 11.927 -3.429 -0.980 1.00 0.00 C ATOM 121 C LEU A 8 12.561 -3.104 0.368 1.00 0.00 C ATOM 122 O LEU A 8 12.888 -1.951 0.649 1.00 0.00 O ATOM 123 CB LEU A 8 12.941 -3.178 -2.103 1.00 0.00 C ATOM 124 CG LEU A 8 14.275 -3.927 -1.974 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.037 -5.420 -2.146 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.252 -3.405 -3.016 1.00 0.00 C ATOM 0 H LEU A 8 10.881 -1.764 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 8 11.640 -4.480 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.481 -3.454 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.148 -2.109 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 8 14.704 -3.759 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.984 -5.952 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.348 -5.770 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.608 -5.609 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.199 -3.936 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.841 -3.565 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.417 -2.339 -2.858 1.00 0.00 H new ATOM 138 N MET A 9 12.734 -4.128 1.197 1.00 0.00 N ATOM 139 CA MET A 9 13.296 -3.948 2.529 1.00 0.00 C ATOM 140 C MET A 9 14.810 -4.118 2.516 1.00 0.00 C ATOM 141 O MET A 9 15.358 -4.816 1.663 1.00 0.00 O ATOM 142 CB MET A 9 12.659 -4.932 3.509 1.00 0.00 C ATOM 143 CG MET A 9 11.153 -4.775 3.667 1.00 0.00 C ATOM 144 SD MET A 9 10.686 -3.155 4.310 1.00 0.00 S ATOM 145 CE MET A 9 11.384 -3.230 5.957 1.00 0.00 C ATOM 0 H MET A 9 12.492 -5.092 0.969 1.00 0.00 H new ATOM 0 HA MET A 9 13.075 -2.931 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.873 -5.948 3.176 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.129 -4.810 4.485 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.672 -4.930 2.701 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.779 -5.549 4.337 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.117 -2.327 6.507 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.991 -4.102 6.479 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.469 -3.306 5.889 1.00 0.00 H new ATOM 155 N GLU A 10 15.481 -3.475 3.466 1.00 0.00 N ATOM 156 CA GLU A 10 16.934 -3.548 3.560 1.00 0.00 C ATOM 157 C GLU A 10 17.393 -4.958 3.907 1.00 0.00 C ATOM 158 O GLU A 10 18.546 -5.322 3.670 1.00 0.00 O ATOM 159 CB GLU A 10 17.451 -2.559 4.607 1.00 0.00 C ATOM 160 CG GLU A 10 17.359 -1.098 4.193 1.00 0.00 C ATOM 161 CD GLU A 10 17.838 -0.155 5.261 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.172 -0.616 6.326 1.00 0.00 O ATOM 163 OE2 GLU A 10 17.871 1.027 5.012 1.00 0.00 O ATOM 0 H GLU A 10 15.041 -2.897 4.182 1.00 0.00 H new ATOM 0 HA GLU A 10 17.345 -3.284 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.888 -2.698 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.491 -2.796 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.948 -0.944 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.325 -0.861 3.944 1.00 0.00 H new ATOM 170 N ASN A 11 16.486 -5.748 4.471 1.00 0.00 N ATOM 171 CA ASN A 11 16.807 -7.110 4.883 1.00 0.00 C ATOM 172 C ASN A 11 16.452 -8.112 3.792 1.00 0.00 C ATOM 173 O ASN A 11 16.440 -9.321 4.027 1.00 0.00 O ATOM 174 CB ASN A 11 16.097 -7.457 6.179 1.00 0.00 C ATOM 175 CG ASN A 11 16.701 -6.768 7.370 1.00 0.00 C ATOM 176 OD1 ASN A 11 17.892 -6.432 7.372 1.00 0.00 O ATOM 177 ND2 ASN A 11 15.903 -6.549 8.385 1.00 0.00 N ATOM 0 H ASN A 11 15.522 -5.469 4.654 1.00 0.00 H new ATOM 0 HA ASN A 11 17.882 -7.165 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.046 -7.181 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.132 -8.536 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.257 -6.084 9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.927 -6.843 8.340 1.00 0.00 H new ATOM 184 N GLY A 12 16.164 -7.604 2.599 1.00 0.00 N ATOM 185 CA GLY A 12 15.969 -8.454 1.430 1.00 0.00 C ATOM 186 C GLY A 12 14.503 -8.832 1.262 1.00 0.00 C ATOM 187 O GLY A 12 14.153 -9.620 0.383 1.00 0.00 O ATOM 0 H GLY A 12 16.060 -6.606 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.318 -7.935 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.571 -9.357 1.529 1.00 0.00 H new ATOM 191 N GLY A 13 13.651 -8.264 2.107 1.00 0.00 N ATOM 192 CA GLY A 13 12.211 -8.466 1.994 1.00 0.00 C ATOM 193 C GLY A 13 11.642 -7.722 0.794 1.00 0.00 C ATOM 194 O GLY A 13 12.241 -6.763 0.306 1.00 0.00 O ATOM 0 H GLY A 13 13.932 -7.659 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.997 -9.531 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.720 -8.122 2.904 1.00 0.00 H new ATOM 198 N LYS A 14 10.483 -8.168 0.321 1.00 0.00 N ATOM 199 CA LYS A 14 9.834 -7.547 -0.828 1.00 0.00 C ATOM 200 C LYS A 14 8.319 -7.654 -0.727 1.00 0.00 C ATOM 201 O LYS A 14 7.739 -8.699 -1.019 1.00 0.00 O ATOM 202 CB LYS A 14 10.321 -8.189 -2.128 1.00 0.00 C ATOM 203 CG LYS A 14 9.829 -7.497 -3.393 1.00 0.00 C ATOM 204 CD LYS A 14 10.430 -8.130 -4.639 1.00 0.00 C ATOM 205 CE LYS A 14 10.057 -7.351 -5.892 1.00 0.00 C ATOM 206 NZ LYS A 14 10.712 -7.906 -7.107 1.00 0.00 N ATOM 0 H LYS A 14 9.973 -8.958 0.716 1.00 0.00 H new ATOM 0 HA LYS A 14 10.102 -6.490 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.411 -8.193 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.998 -9.230 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.742 -7.554 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.091 -6.440 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.515 -8.169 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.081 -9.159 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.975 -7.370 -6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.345 -6.307 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.432 -7.347 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.745 -7.865 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.417 -8.895 -7.239 1.00 0.00 H new ATOM 220 N ILE A 15 7.680 -6.564 -0.313 1.00 0.00 N ATOM 221 CA ILE A 15 6.229 -6.535 -0.168 1.00 0.00 C ATOM 222 C ILE A 15 5.566 -5.901 -1.383 1.00 0.00 C ATOM 223 O ILE A 15 5.794 -4.729 -1.686 1.00 0.00 O ATOM 224 CB ILE A 15 5.821 -5.764 1.101 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.423 -6.425 2.344 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.306 -5.691 1.214 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.282 -5.599 3.603 1.00 0.00 C ATOM 0 H ILE A 15 8.145 -5.689 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 15 5.890 -7.568 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 15 6.209 -4.748 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.943 -7.391 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.480 -6.620 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.034 -5.143 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.900 -5.178 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.896 -6.700 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.732 -6.132 4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.787 -4.642 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.226 -5.426 3.808 1.00 0.00 H new ATOM 239 N GLU A 16 4.746 -6.682 -2.078 1.00 0.00 N ATOM 240 CA GLU A 16 4.085 -6.213 -3.290 1.00 0.00 C ATOM 241 C GLU A 16 2.580 -6.096 -3.087 1.00 0.00 C ATOM 242 O GLU A 16 1.921 -7.057 -2.690 1.00 0.00 O ATOM 243 CB GLU A 16 4.380 -7.158 -4.457 1.00 0.00 C ATOM 244 CG GLU A 16 5.857 -7.284 -4.806 1.00 0.00 C ATOM 245 CD GLU A 16 6.104 -8.177 -5.990 1.00 0.00 C ATOM 246 OE1 GLU A 16 5.744 -9.328 -5.927 1.00 0.00 O ATOM 247 OE2 GLU A 16 6.652 -7.707 -6.959 1.00 0.00 O ATOM 0 H GLU A 16 4.523 -7.644 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 16 4.478 -5.223 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.991 -8.147 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.840 -6.809 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.262 -6.294 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.397 -7.675 -3.944 1.00 0.00 H new ATOM 254 N PHE A 17 2.041 -4.913 -3.362 1.00 0.00 N ATOM 255 CA PHE A 17 0.636 -4.631 -3.095 1.00 0.00 C ATOM 256 C PHE A 17 0.035 -3.750 -4.183 1.00 0.00 C ATOM 257 O PHE A 17 0.738 -2.960 -4.814 1.00 0.00 O ATOM 258 CB PHE A 17 0.476 -3.950 -1.735 1.00 0.00 C ATOM 259 CG PHE A 17 1.298 -2.703 -1.580 1.00 0.00 C ATOM 260 CD1 PHE A 17 2.603 -2.767 -1.115 1.00 0.00 C ATOM 261 CD2 PHE A 17 0.770 -1.462 -1.902 1.00 0.00 C ATOM 262 CE1 PHE A 17 3.361 -1.622 -0.972 1.00 0.00 C ATOM 263 CE2 PHE A 17 1.526 -0.313 -1.761 1.00 0.00 C ATOM 264 CZ PHE A 17 2.821 -0.393 -1.296 1.00 0.00 C ATOM 0 H PHE A 17 2.557 -4.133 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 17 0.104 -5.582 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.575 -3.702 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.752 -4.656 -0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.032 -3.725 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.244 -1.392 -2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.375 -1.687 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.102 0.647 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.412 0.504 -1.185 1.00 0.00 H new ATOM 274 N GLU A 18 -1.269 -3.890 -4.398 1.00 0.00 N ATOM 275 CA GLU A 18 -1.981 -3.055 -5.357 1.00 0.00 C ATOM 276 C GLU A 18 -2.728 -1.927 -4.657 1.00 0.00 C ATOM 277 O GLU A 18 -2.973 -1.986 -3.452 1.00 0.00 O ATOM 278 CB GLU A 18 -2.962 -3.898 -6.175 1.00 0.00 C ATOM 279 CG GLU A 18 -2.300 -4.928 -7.081 1.00 0.00 C ATOM 280 CD GLU A 18 -3.291 -5.713 -7.894 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.468 -5.486 -7.743 1.00 0.00 O ATOM 282 OE2 GLU A 18 -2.871 -6.540 -8.668 1.00 0.00 O ATOM 0 H GLU A 18 -1.854 -4.575 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.242 -2.615 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.637 -4.413 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.572 -3.233 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.606 -4.422 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.711 -5.615 -6.473 1.00 0.00 H new ATOM 289 N LEU A 19 -3.090 -0.900 -5.420 1.00 0.00 N ATOM 290 CA LEU A 19 -3.753 0.272 -4.862 1.00 0.00 C ATOM 291 C LEU A 19 -5.124 0.482 -5.492 1.00 0.00 C ATOM 292 O LEU A 19 -5.372 0.052 -6.619 1.00 0.00 O ATOM 293 CB LEU A 19 -2.888 1.522 -5.075 1.00 0.00 C ATOM 294 CG LEU A 19 -1.497 1.485 -4.432 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.691 2.691 -4.897 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.638 1.473 -2.917 1.00 0.00 C ATOM 0 H LEU A 19 -2.935 -0.857 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.888 0.103 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.769 1.680 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.426 2.385 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.970 0.580 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.298 2.665 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.590 2.665 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.203 3.607 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.649 1.447 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.164 2.371 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.203 0.592 -2.611 1.00 0.00 H new ATOM 308 N PHE A 20 -6.011 1.144 -4.758 1.00 0.00 N ATOM 309 CA PHE A 20 -7.382 1.348 -5.213 1.00 0.00 C ATOM 310 C PHE A 20 -7.746 2.827 -5.217 1.00 0.00 C ATOM 311 O PHE A 20 -8.473 3.298 -4.342 1.00 0.00 O ATOM 312 CB PHE A 20 -8.360 0.578 -4.324 1.00 0.00 C ATOM 313 CG PHE A 20 -8.068 -0.893 -4.233 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.392 -1.746 -5.277 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.466 -1.426 -3.102 1.00 0.00 C ATOM 316 CE1 PHE A 20 -8.125 -3.098 -5.194 1.00 0.00 C ATOM 317 CE2 PHE A 20 -7.196 -2.779 -3.017 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.526 -3.615 -4.062 1.00 0.00 C ATOM 0 H PHE A 20 -5.806 1.549 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.452 0.972 -6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.339 1.006 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.371 0.715 -4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.859 -1.348 -6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.206 -0.777 -2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.384 -3.751 -6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.726 -3.181 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.317 -4.672 -3.996 1.00 0.00 H new ATOM 328 N PRO A 21 -7.239 3.554 -6.206 1.00 0.00 N ATOM 329 CA PRO A 21 -7.516 4.980 -6.329 1.00 0.00 C ATOM 330 C PRO A 21 -8.982 5.230 -6.658 1.00 0.00 C ATOM 331 O PRO A 21 -9.475 6.351 -6.530 1.00 0.00 O ATOM 332 CB PRO A 21 -6.598 5.411 -7.476 1.00 0.00 C ATOM 333 CG PRO A 21 -6.398 4.167 -8.272 1.00 0.00 C ATOM 334 CD PRO A 21 -6.321 3.073 -7.241 1.00 0.00 C ATOM 0 HA PRO A 21 -7.335 5.536 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.054 6.199 -8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.651 5.802 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.222 4.002 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.486 4.218 -8.867 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.633 2.110 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.308 2.945 -6.859 1.00 0.00 H new ATOM 342 N ASN A 22 -9.676 4.179 -7.081 1.00 0.00 N ATOM 343 CA ASN A 22 -11.100 4.270 -7.381 1.00 0.00 C ATOM 344 C ASN A 22 -11.928 4.339 -6.104 1.00 0.00 C ATOM 345 O ASN A 22 -13.035 4.878 -6.099 1.00 0.00 O ATOM 346 CB ASN A 22 -11.541 3.101 -8.241 1.00 0.00 C ATOM 347 CG ASN A 22 -11.019 3.189 -9.648 1.00 0.00 C ATOM 348 OD1 ASN A 22 -10.673 4.275 -10.129 1.00 0.00 O ATOM 349 ND2 ASN A 22 -10.954 2.067 -10.319 1.00 0.00 N ATOM 0 H ASN A 22 -9.274 3.252 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.267 5.191 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.198 2.171 -7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.630 3.062 -8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.607 2.066 -11.278 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.250 1.194 -9.883 1.00 0.00 H new ATOM 356 N GLU A 23 -11.385 3.792 -5.022 1.00 0.00 N ATOM 357 CA GLU A 23 -12.095 3.742 -3.750 1.00 0.00 C ATOM 358 C GLU A 23 -11.463 4.679 -2.729 1.00 0.00 C ATOM 359 O GLU A 23 -12.096 5.057 -1.743 1.00 0.00 O ATOM 360 CB GLU A 23 -12.109 2.313 -3.204 1.00 0.00 C ATOM 361 CG GLU A 23 -12.681 1.278 -4.163 1.00 0.00 C ATOM 362 CD GLU A 23 -14.149 1.470 -4.424 1.00 0.00 C ATOM 363 OE1 GLU A 23 -14.746 2.293 -3.774 1.00 0.00 O ATOM 364 OE2 GLU A 23 -14.674 0.790 -5.275 1.00 0.00 O ATOM 0 H GLU A 23 -10.454 3.376 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.120 4.069 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.090 2.026 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.689 2.295 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.140 1.327 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.517 0.281 -3.754 1.00 0.00 H new ATOM 371 N ALA A 24 -10.211 5.052 -2.971 1.00 0.00 N ATOM 372 CA ALA A 24 -9.533 6.042 -2.144 1.00 0.00 C ATOM 373 C ALA A 24 -8.647 6.951 -2.986 1.00 0.00 C ATOM 374 O ALA A 24 -7.421 6.849 -2.948 1.00 0.00 O ATOM 375 CB ALA A 24 -8.710 5.356 -1.064 1.00 0.00 C ATOM 0 H ALA A 24 -9.645 4.683 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.295 6.660 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.210 6.109 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.366 4.756 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.964 4.711 -1.529 1.00 0.00 H new ATOM 381 N PRO A 25 -9.277 7.841 -3.748 1.00 0.00 N ATOM 382 CA PRO A 25 -8.554 8.700 -4.678 1.00 0.00 C ATOM 383 C PRO A 25 -7.432 9.453 -3.974 1.00 0.00 C ATOM 384 O PRO A 25 -6.276 9.400 -4.395 1.00 0.00 O ATOM 385 CB PRO A 25 -9.642 9.651 -5.185 1.00 0.00 C ATOM 386 CG PRO A 25 -10.887 8.831 -5.157 1.00 0.00 C ATOM 387 CD PRO A 25 -10.758 7.998 -3.909 1.00 0.00 C ATOM 0 HA PRO A 25 -8.063 8.151 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.730 10.531 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.422 10.007 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.777 9.460 -5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.971 8.205 -6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.206 8.493 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.255 7.034 -4.016 1.00 0.00 H new ATOM 395 N VAL A 26 -7.780 10.156 -2.902 1.00 0.00 N ATOM 396 CA VAL A 26 -6.851 11.071 -2.251 1.00 0.00 C ATOM 397 C VAL A 26 -5.717 10.315 -1.572 1.00 0.00 C ATOM 398 O VAL A 26 -4.544 10.640 -1.756 1.00 0.00 O ATOM 399 CB VAL A 26 -7.591 11.930 -1.208 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.601 12.761 -0.404 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.609 12.824 -1.898 1.00 0.00 C ATOM 0 H VAL A 26 -8.700 10.109 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.427 11.716 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.119 11.271 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.140 13.362 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.905 12.099 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.048 13.418 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.127 13.428 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.099 13.479 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.332 12.207 -2.432 1.00 0.00 H new ATOM 411 N THR A 27 -6.074 9.306 -0.784 1.00 0.00 N ATOM 412 CA THR A 27 -5.089 8.528 -0.042 1.00 0.00 C ATOM 413 C THR A 27 -4.069 7.894 -0.979 1.00 0.00 C ATOM 414 O THR A 27 -2.862 8.004 -0.764 1.00 0.00 O ATOM 415 CB THR A 27 -5.768 7.433 0.800 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.694 8.034 1.714 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.731 6.641 1.582 1.00 0.00 C ATOM 0 H THR A 27 -7.039 9.008 -0.643 1.00 0.00 H new ATOM 0 HA THR A 27 -4.571 9.216 0.626 1.00 0.00 H new ATOM 0 HB THR A 27 -6.297 6.756 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.506 8.297 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.229 5.871 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.033 6.172 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.187 7.312 2.247 1.00 0.00 H new ATOM 425 N VAL A 28 -4.561 7.232 -2.021 1.00 0.00 N ATOM 426 CA VAL A 28 -3.694 6.546 -2.971 1.00 0.00 C ATOM 427 C VAL A 28 -2.826 7.536 -3.737 1.00 0.00 C ATOM 428 O VAL A 28 -1.632 7.307 -3.932 1.00 0.00 O ATOM 429 CB VAL A 28 -4.537 5.728 -3.968 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.665 5.211 -5.103 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.221 4.577 -3.246 1.00 0.00 C ATOM 0 H VAL A 28 -5.557 7.156 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.045 5.877 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.303 6.374 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.276 4.635 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.214 6.053 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.879 4.574 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.815 4.003 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.467 3.930 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.871 4.972 -2.466 1.00 0.00 H new ATOM 441 N ALA A 29 -3.432 8.636 -4.170 1.00 0.00 N ATOM 442 CA ALA A 29 -2.713 9.666 -4.910 1.00 0.00 C ATOM 443 C ALA A 29 -1.523 10.187 -4.114 1.00 0.00 C ATOM 444 O ALA A 29 -0.405 10.257 -4.625 1.00 0.00 O ATOM 445 CB ALA A 29 -3.649 10.809 -5.272 1.00 0.00 C ATOM 0 H ALA A 29 -4.421 8.837 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.333 9.218 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.097 11.570 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.463 10.431 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.058 11.247 -4.361 1.00 0.00 H new ATOM 451 N ASN A 30 -1.771 10.553 -2.861 1.00 0.00 N ATOM 452 CA ASN A 30 -0.726 11.096 -2.001 1.00 0.00 C ATOM 453 C ASN A 30 0.330 10.045 -1.684 1.00 0.00 C ATOM 454 O ASN A 30 1.526 10.336 -1.672 1.00 0.00 O ATOM 455 CB ASN A 30 -1.324 11.655 -0.723 1.00 0.00 C ATOM 456 CG ASN A 30 -1.917 13.024 -0.913 1.00 0.00 C ATOM 457 OD1 ASN A 30 -1.205 13.984 -1.230 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.208 13.133 -0.724 1.00 0.00 N ATOM 0 H ASN A 30 -2.687 10.483 -2.418 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.238 11.908 -2.540 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.096 10.976 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.552 11.701 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.665 14.038 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.756 12.313 -0.463 1.00 0.00 H new ATOM 465 N PHE A 31 -0.119 8.821 -1.428 1.00 0.00 N ATOM 466 CA PHE A 31 0.789 7.707 -1.185 1.00 0.00 C ATOM 467 C PHE A 31 1.777 7.542 -2.332 1.00 0.00 C ATOM 468 O PHE A 31 2.985 7.442 -2.114 1.00 0.00 O ATOM 469 CB PHE A 31 0.003 6.409 -0.992 1.00 0.00 C ATOM 470 CG PHE A 31 0.864 5.222 -0.667 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.242 4.959 0.642 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.298 4.366 -1.667 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.035 3.867 0.942 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.089 3.273 -1.370 1.00 0.00 C ATOM 475 CZ PHE A 31 2.458 3.024 -0.063 1.00 0.00 C ATOM 0 H PHE A 31 -1.108 8.575 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 31 1.348 7.928 -0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.723 6.550 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.562 6.199 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.913 5.614 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.014 4.556 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.323 3.674 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.418 2.614 -2.160 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.077 2.170 0.171 1.00 0.00 H new ATOM 485 N GLU A 32 1.258 7.513 -3.555 1.00 0.00 N ATOM 486 CA GLU A 32 2.095 7.376 -4.740 1.00 0.00 C ATOM 487 C GLU A 32 3.069 8.539 -4.866 1.00 0.00 C ATOM 488 O GLU A 32 4.269 8.340 -5.055 1.00 0.00 O ATOM 489 CB GLU A 32 1.229 7.285 -5.998 1.00 0.00 C ATOM 490 CG GLU A 32 2.012 7.288 -7.303 1.00 0.00 C ATOM 491 CD GLU A 32 1.151 7.008 -8.503 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.194 7.718 -8.704 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.449 6.083 -9.221 1.00 0.00 O ATOM 0 H GLU A 32 0.259 7.583 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 32 2.671 6.457 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.633 6.374 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.531 8.122 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.496 8.256 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.803 6.540 -7.248 1.00 0.00 H new ATOM 500 N LYS A 33 2.546 9.756 -4.758 1.00 0.00 N ATOM 501 CA LYS A 33 3.356 10.956 -4.932 1.00 0.00 C ATOM 502 C LYS A 33 4.495 11.003 -3.923 1.00 0.00 C ATOM 503 O LYS A 33 5.622 11.368 -4.261 1.00 0.00 O ATOM 504 CB LYS A 33 2.489 12.210 -4.806 1.00 0.00 C ATOM 505 CG LYS A 33 1.546 12.443 -5.979 1.00 0.00 C ATOM 506 CD LYS A 33 0.690 13.682 -5.761 1.00 0.00 C ATOM 507 CE LYS A 33 -0.275 13.899 -6.918 1.00 0.00 C ATOM 508 NZ LYS A 33 -1.114 15.113 -6.722 1.00 0.00 N ATOM 0 H LYS A 33 1.564 9.937 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 33 3.789 10.924 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.901 12.140 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.140 13.078 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.124 12.554 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.903 11.573 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.130 13.580 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.332 14.556 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.287 13.993 -7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.919 13.026 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.757 15.225 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.670 15.013 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.501 15.950 -6.648 1.00 0.00 H new ATOM 522 N LEU A 34 4.196 10.633 -2.683 1.00 0.00 N ATOM 523 CA LEU A 34 5.198 10.622 -1.624 1.00 0.00 C ATOM 524 C LEU A 34 6.273 9.576 -1.894 1.00 0.00 C ATOM 525 O LEU A 34 7.466 9.869 -1.836 1.00 0.00 O ATOM 526 CB LEU A 34 4.535 10.344 -0.269 1.00 0.00 C ATOM 527 CG LEU A 34 3.685 11.486 0.301 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.906 10.987 1.511 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.588 12.652 0.676 1.00 0.00 C ATOM 0 H LEU A 34 3.266 10.336 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 34 5.671 11.604 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.904 9.461 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.314 10.100 0.453 1.00 0.00 H new ATOM 0 HG LEU A 34 2.972 11.829 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.302 11.799 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.255 10.166 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.602 10.638 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.984 13.464 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.309 12.327 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.118 13.001 -0.210 1.00 0.00 H new ATOM 541 N ALA A 35 5.841 8.354 -2.187 1.00 0.00 N ATOM 542 CA ALA A 35 6.765 7.248 -2.410 1.00 0.00 C ATOM 543 C ALA A 35 7.719 7.550 -3.558 1.00 0.00 C ATOM 544 O ALA A 35 8.911 7.249 -3.483 1.00 0.00 O ATOM 545 CB ALA A 35 5.997 5.963 -2.684 1.00 0.00 C ATOM 0 H ALA A 35 4.856 8.104 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 35 7.358 7.118 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.700 5.147 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.363 5.729 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.377 6.092 -3.571 1.00 0.00 H new ATOM 551 N ASN A 36 7.189 8.145 -4.620 1.00 0.00 N ATOM 552 CA ASN A 36 7.976 8.420 -5.817 1.00 0.00 C ATOM 553 C ASN A 36 8.833 9.666 -5.638 1.00 0.00 C ATOM 554 O ASN A 36 9.624 10.018 -6.512 1.00 0.00 O ATOM 555 CB ASN A 36 7.072 8.563 -7.028 1.00 0.00 C ATOM 556 CG ASN A 36 6.488 7.250 -7.470 1.00 0.00 C ATOM 557 OD1 ASN A 36 7.010 6.180 -7.138 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.412 7.311 -8.213 1.00 0.00 N ATOM 0 H ASN A 36 6.216 8.447 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 36 8.644 7.575 -5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.264 9.256 -6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.638 9.000 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.970 6.453 -8.542 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.015 8.217 -8.463 1.00 0.00 H new ATOM 565 N GLU A 37 8.672 10.331 -4.499 1.00 0.00 N ATOM 566 CA GLU A 37 9.553 11.430 -4.122 1.00 0.00 C ATOM 567 C GLU A 37 10.556 10.993 -3.063 1.00 0.00 C ATOM 568 O GLU A 37 11.321 11.807 -2.544 1.00 0.00 O ATOM 569 CB GLU A 37 8.735 12.616 -3.604 1.00 0.00 C ATOM 570 CG GLU A 37 7.933 13.341 -4.676 1.00 0.00 C ATOM 571 CD GLU A 37 7.099 14.463 -4.122 1.00 0.00 C ATOM 572 OE1 GLU A 37 7.178 14.711 -2.943 1.00 0.00 O ATOM 573 OE2 GLU A 37 6.382 15.072 -4.880 1.00 0.00 O ATOM 0 H GLU A 37 7.938 10.128 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 37 10.104 11.735 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.051 12.261 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.410 13.328 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.616 13.739 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.283 12.627 -5.182 1.00 0.00 H new ATOM 580 N GLY A 38 10.550 9.703 -2.745 1.00 0.00 N ATOM 581 CA GLY A 38 11.545 9.129 -1.846 1.00 0.00 C ATOM 582 C GLY A 38 11.148 9.326 -0.389 1.00 0.00 C ATOM 583 O GLY A 38 11.970 9.171 0.515 1.00 0.00 O ATOM 0 H GLY A 38 9.866 9.034 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.657 8.065 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.514 9.593 -2.028 1.00 0.00 H new ATOM 587 N PHE A 39 9.883 9.668 -0.166 1.00 0.00 N ATOM 588 CA PHE A 39 9.363 9.840 1.186 1.00 0.00 C ATOM 589 C PHE A 39 9.258 8.504 1.910 1.00 0.00 C ATOM 590 O PHE A 39 9.826 8.325 2.987 1.00 0.00 O ATOM 591 CB PHE A 39 7.990 10.515 1.147 1.00 0.00 C ATOM 592 CG PHE A 39 7.370 10.701 2.503 1.00 0.00 C ATOM 593 CD1 PHE A 39 7.656 11.825 3.264 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.499 9.754 3.019 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.086 11.997 4.511 1.00 0.00 C ATOM 596 CE2 PHE A 39 5.926 9.924 4.265 1.00 0.00 C ATOM 597 CZ PHE A 39 6.220 11.048 5.011 1.00 0.00 C ATOM 0 H PHE A 39 9.199 9.832 -0.905 1.00 0.00 H new ATOM 0 HA PHE A 39 10.061 10.474 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.087 11.488 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.319 9.918 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.332 12.574 2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.265 8.873 2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.319 12.876 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.249 9.178 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.772 11.184 5.984 1.00 0.00 H new ATOM 607 N TYR A 40 8.529 7.568 1.312 1.00 0.00 N ATOM 608 CA TYR A 40 8.363 6.240 1.890 1.00 0.00 C ATOM 609 C TYR A 40 9.639 5.418 1.756 1.00 0.00 C ATOM 610 O TYR A 40 9.839 4.444 2.481 1.00 0.00 O ATOM 611 CB TYR A 40 7.190 5.512 1.230 1.00 0.00 C ATOM 612 CG TYR A 40 5.836 5.937 1.754 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.337 5.376 2.920 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.093 6.885 1.067 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.100 5.763 3.398 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.857 7.273 1.545 1.00 0.00 C ATOM 617 CZ TYR A 40 3.361 6.707 2.715 1.00 0.00 C ATOM 618 OH TYR A 40 2.129 7.094 3.191 1.00 0.00 O ATOM 0 H TYR A 40 8.043 7.705 0.426 1.00 0.00 H new ATOM 0 HA TYR A 40 8.149 6.361 2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.224 5.687 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.308 4.439 1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.915 4.637 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.481 7.320 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.711 5.327 4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.278 8.013 1.013 1.00 0.00 H new ATOM 0 HH TYR A 40 2.107 6.988 4.165 1.00 0.00 H new ATOM 628 N ASN A 41 10.498 5.815 0.824 1.00 0.00 N ATOM 629 CA ASN A 41 11.789 5.162 0.643 1.00 0.00 C ATOM 630 C ASN A 41 12.725 5.463 1.806 1.00 0.00 C ATOM 631 O ASN A 41 13.513 6.408 1.754 1.00 0.00 O ATOM 632 CB ASN A 41 12.419 5.581 -0.673 1.00 0.00 C ATOM 633 CG ASN A 41 13.690 4.832 -0.968 1.00 0.00 C ATOM 634 OD1 ASN A 41 14.351 4.324 -0.056 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.041 4.753 -2.226 1.00 0.00 N ATOM 0 H ASN A 41 10.323 6.587 0.181 1.00 0.00 H new ATOM 0 HA ASN A 41 11.621 4.085 0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.707 5.415 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.629 6.650 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.892 4.256 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.463 5.188 -2.945 1.00 0.00 H new ATOM 642 N GLY A 42 12.635 4.655 2.857 1.00 0.00 N ATOM 643 CA GLY A 42 13.601 4.706 3.948 1.00 0.00 C ATOM 644 C GLY A 42 12.908 4.905 5.289 1.00 0.00 C ATOM 645 O GLY A 42 13.544 5.259 6.282 1.00 0.00 O ATOM 0 H GLY A 42 11.902 3.956 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.180 3.782 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.305 5.520 3.776 1.00 0.00 H new ATOM 649 N LEU A 43 11.599 4.676 5.312 1.00 0.00 N ATOM 650 CA LEU A 43 10.827 4.769 6.545 1.00 0.00 C ATOM 651 C LEU A 43 10.955 3.496 7.372 1.00 0.00 C ATOM 652 O LEU A 43 11.433 2.472 6.883 1.00 0.00 O ATOM 653 CB LEU A 43 9.350 5.034 6.228 1.00 0.00 C ATOM 654 CG LEU A 43 9.048 6.365 5.527 1.00 0.00 C ATOM 655 CD1 LEU A 43 7.541 6.543 5.402 1.00 0.00 C ATOM 656 CD2 LEU A 43 9.671 7.506 6.316 1.00 0.00 C ATOM 0 H LEU A 43 11.051 4.424 4.490 1.00 0.00 H new ATOM 0 HA LEU A 43 11.226 5.599 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.981 4.222 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.786 4.999 7.160 1.00 0.00 H new ATOM 0 HG LEU A 43 9.478 6.365 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.326 7.489 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.125 5.722 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.091 6.546 6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.457 8.452 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.253 7.523 7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.750 7.362 6.373 1.00 0.00 H new ATOM 668 N THR A 44 10.524 3.567 8.627 1.00 0.00 N ATOM 669 CA THR A 44 10.710 2.463 9.564 1.00 0.00 C ATOM 670 C THR A 44 9.378 1.821 9.928 1.00 0.00 C ATOM 671 O THR A 44 8.339 2.481 9.931 1.00 0.00 O ATOM 672 CB THR A 44 11.423 2.937 10.844 1.00 0.00 C ATOM 673 OG1 THR A 44 12.652 3.588 10.496 1.00 0.00 O ATOM 674 CG2 THR A 44 11.720 1.757 11.756 1.00 0.00 C ATOM 0 H THR A 44 10.044 4.377 9.019 1.00 0.00 H new ATOM 0 HA THR A 44 11.334 1.719 9.068 1.00 0.00 H new ATOM 0 HB THR A 44 10.770 3.634 11.369 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.104 3.891 11.311 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.224 2.110 12.656 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.787 1.266 12.032 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.363 1.047 11.235 1.00 0.00 H new ATOM 682 N PHE A 45 9.415 0.529 10.234 1.00 0.00 N ATOM 683 CA PHE A 45 8.243 -0.172 10.748 1.00 0.00 C ATOM 684 C PHE A 45 8.223 -0.167 12.272 1.00 0.00 C ATOM 685 O PHE A 45 8.997 -0.876 12.914 1.00 0.00 O ATOM 686 CB PHE A 45 8.214 -1.612 10.238 1.00 0.00 C ATOM 687 CG PHE A 45 7.795 -1.738 8.800 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.694 -1.479 7.776 1.00 0.00 C ATOM 689 CD2 PHE A 45 6.503 -2.113 8.469 1.00 0.00 C ATOM 690 CE1 PHE A 45 8.310 -1.594 6.453 1.00 0.00 C ATOM 691 CE2 PHE A 45 6.116 -2.229 7.148 1.00 0.00 C ATOM 692 CZ PHE A 45 7.022 -1.969 6.139 1.00 0.00 C ATOM 0 H PHE A 45 10.245 -0.055 10.135 1.00 0.00 H new ATOM 0 HA PHE A 45 7.359 0.354 10.388 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.205 -2.050 10.358 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.532 -2.193 10.858 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.705 -1.184 8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.789 -2.317 9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.020 -1.390 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.106 -2.523 6.905 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.722 -2.059 5.106 1.00 0.00 H new ATOM 702 N HIS A 46 7.334 0.638 12.845 1.00 0.00 N ATOM 703 CA HIS A 46 7.318 0.859 14.285 1.00 0.00 C ATOM 704 C HIS A 46 6.912 -0.404 15.033 1.00 0.00 C ATOM 705 O HIS A 46 7.469 -0.721 16.084 1.00 0.00 O ATOM 706 CB HIS A 46 6.363 2.002 14.646 1.00 0.00 C ATOM 707 CG HIS A 46 6.317 2.307 16.111 1.00 0.00 C ATOM 708 ND1 HIS A 46 7.426 2.718 16.821 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.297 2.259 17.000 1.00 0.00 C ATOM 710 CE1 HIS A 46 7.089 2.912 18.085 1.00 0.00 C ATOM 711 NE2 HIS A 46 5.803 2.640 18.219 1.00 0.00 N ATOM 0 H HIS A 46 6.615 1.148 12.333 1.00 0.00 H new ATOM 0 HA HIS A 46 8.330 1.130 14.586 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.664 2.900 14.106 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.360 1.747 14.305 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.359 2.851 16.432 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.277 1.974 16.790 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.752 3.237 18.873 1.00 0.00 H new ATOM 718 N ARG A 47 5.938 -1.123 14.484 1.00 0.00 N ATOM 719 CA ARG A 47 5.440 -2.342 15.110 1.00 0.00 C ATOM 720 C ARG A 47 5.163 -3.420 14.071 1.00 0.00 C ATOM 721 O ARG A 47 4.055 -3.515 13.540 1.00 0.00 O ATOM 722 CB ARG A 47 4.167 -2.059 15.894 1.00 0.00 C ATOM 723 CG ARG A 47 4.362 -1.222 17.149 1.00 0.00 C ATOM 724 CD ARG A 47 5.048 -1.989 18.220 1.00 0.00 C ATOM 725 NE ARG A 47 5.179 -1.214 19.443 1.00 0.00 N ATOM 726 CZ ARG A 47 6.221 -0.412 19.733 1.00 0.00 C ATOM 727 NH1 ARG A 47 7.214 -0.289 18.879 1.00 0.00 N ATOM 728 NH2 ARG A 47 6.247 0.253 20.875 1.00 0.00 N ATOM 0 H ARG A 47 5.478 -0.882 13.606 1.00 0.00 H new ATOM 0 HA ARG A 47 6.212 -2.700 15.791 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.461 -1.548 15.240 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.712 -3.009 16.175 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.945 -0.334 16.907 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.393 -0.878 17.511 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.490 -2.902 18.427 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.037 -2.291 17.874 1.00 0.00 H new ATOM 0 HE ARG A 47 4.428 -1.283 20.130 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.195 -0.801 17.997 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.003 0.319 19.099 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.477 0.159 21.538 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.037 0.860 21.094 1.00 0.00 H new ATOM 742 N VAL A 48 6.175 -4.233 13.785 1.00 0.00 N ATOM 743 CA VAL A 48 6.007 -5.386 12.908 1.00 0.00 C ATOM 744 C VAL A 48 5.353 -6.548 13.645 1.00 0.00 C ATOM 745 O VAL A 48 5.978 -7.188 14.491 1.00 0.00 O ATOM 746 CB VAL A 48 7.371 -5.836 12.352 1.00 0.00 C ATOM 747 CG1 VAL A 48 7.212 -7.088 11.502 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.997 -4.711 11.543 1.00 0.00 C ATOM 0 H VAL A 48 7.121 -4.114 14.148 1.00 0.00 H new ATOM 0 HA VAL A 48 5.358 -5.086 12.085 1.00 0.00 H new ATOM 0 HB VAL A 48 8.032 -6.075 13.185 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.185 -7.392 11.117 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.795 -7.891 12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.541 -6.879 10.669 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.961 -5.036 11.153 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.340 -4.450 10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.139 -3.839 12.182 1.00 0.00 H new ATOM 758 N ILE A 49 4.094 -6.815 13.320 1.00 0.00 N ATOM 759 CA ILE A 49 3.335 -7.864 13.991 1.00 0.00 C ATOM 760 C ILE A 49 2.661 -8.786 12.983 1.00 0.00 C ATOM 761 O ILE A 49 1.502 -8.582 12.619 1.00 0.00 O ATOM 762 CB ILE A 49 2.272 -7.259 14.926 1.00 0.00 C ATOM 763 CG1 ILE A 49 2.900 -6.199 15.834 1.00 0.00 C ATOM 764 CG2 ILE A 49 1.610 -8.350 15.754 1.00 0.00 C ATOM 765 CD1 ILE A 49 1.905 -5.487 16.721 1.00 0.00 C ATOM 0 H ILE A 49 3.576 -6.319 12.595 1.00 0.00 H new ATOM 0 HA ILE A 49 4.040 -8.448 14.583 1.00 0.00 H new ATOM 0 HB ILE A 49 1.507 -6.779 14.316 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.656 -6.672 16.460 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.413 -5.463 15.216 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.861 -7.905 16.410 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.130 -9.070 15.091 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.364 -8.858 16.356 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.426 -4.752 17.334 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.162 -4.983 16.103 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.409 -6.212 17.366 1.00 0.00 H new ATOM 777 N PRO A 50 3.392 -9.801 12.535 1.00 0.00 N ATOM 778 CA PRO A 50 2.857 -10.772 11.589 1.00 0.00 C ATOM 779 C PRO A 50 1.802 -11.656 12.243 1.00 0.00 C ATOM 780 O PRO A 50 1.944 -12.056 13.399 1.00 0.00 O ATOM 781 CB PRO A 50 4.096 -11.576 11.183 1.00 0.00 C ATOM 782 CG PRO A 50 5.002 -11.472 12.363 1.00 0.00 C ATOM 783 CD PRO A 50 4.801 -10.067 12.865 1.00 0.00 C ATOM 0 HA PRO A 50 2.352 -10.313 10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.844 -12.614 10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.561 -11.166 10.286 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.747 -12.207 13.126 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.041 -11.650 12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.987 -9.990 13.936 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.472 -9.362 12.373 1.00 0.00 H new ATOM 791 N GLY A 51 0.744 -11.956 11.498 1.00 0.00 N ATOM 792 CA GLY A 51 -0.355 -12.761 12.017 1.00 0.00 C ATOM 793 C GLY A 51 -1.461 -11.882 12.584 1.00 0.00 C ATOM 794 O GLY A 51 -2.545 -12.365 12.912 1.00 0.00 O ATOM 0 H GLY A 51 0.624 -11.653 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.757 -13.388 11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.016 -13.430 12.794 1.00 0.00 H new ATOM 798 N PHE A 52 -1.182 -10.587 12.697 1.00 0.00 N ATOM 799 CA PHE A 52 -2.174 -9.627 13.167 1.00 0.00 C ATOM 800 C PHE A 52 -2.194 -8.381 12.291 1.00 0.00 C ATOM 801 O PHE A 52 -2.741 -8.395 11.188 1.00 0.00 O ATOM 802 CB PHE A 52 -1.891 -9.232 14.617 1.00 0.00 C ATOM 803 CG PHE A 52 -2.034 -10.365 15.592 1.00 0.00 C ATOM 804 CD1 PHE A 52 -3.282 -10.736 16.071 1.00 0.00 C ATOM 805 CD2 PHE A 52 -0.920 -11.064 16.033 1.00 0.00 C ATOM 806 CE1 PHE A 52 -3.415 -11.777 16.969 1.00 0.00 C ATOM 807 CE2 PHE A 52 -1.050 -12.108 16.931 1.00 0.00 C ATOM 808 CZ PHE A 52 -2.297 -12.464 17.399 1.00 0.00 C ATOM 0 H PHE A 52 -0.276 -10.178 12.469 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.151 -10.106 13.109 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.879 -8.833 14.684 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.570 -8.429 14.904 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.161 -10.204 15.737 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.060 -10.790 15.671 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.393 -12.054 17.335 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.174 -12.644 17.266 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.399 -13.279 18.101 1.00 0.00 H new ATOM 818 N VAL A 53 -1.592 -7.306 12.786 1.00 0.00 N ATOM 819 CA VAL A 53 -1.482 -6.068 12.024 1.00 0.00 C ATOM 820 C VAL A 53 -0.121 -5.417 12.222 1.00 0.00 C ATOM 821 O VAL A 53 0.254 -5.066 13.341 1.00 0.00 O ATOM 822 CB VAL A 53 -2.587 -5.081 12.446 1.00 0.00 C ATOM 823 CG1 VAL A 53 -2.474 -3.786 11.655 1.00 0.00 C ATOM 824 CG2 VAL A 53 -3.954 -5.718 12.246 1.00 0.00 C ATOM 0 H VAL A 53 -1.171 -7.267 13.714 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.598 -6.318 10.969 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.465 -4.843 13.503 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.262 -3.100 11.966 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.502 -3.330 11.841 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.577 -3.999 10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.731 -5.015 12.546 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.085 -5.976 11.195 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.027 -6.620 12.853 1.00 0.00 H new ATOM 834 N SER A 54 0.618 -5.256 11.130 1.00 0.00 N ATOM 835 CA SER A 54 1.930 -4.621 11.177 1.00 0.00 C ATOM 836 C SER A 54 1.829 -3.128 10.889 1.00 0.00 C ATOM 837 O SER A 54 1.389 -2.722 9.813 1.00 0.00 O ATOM 838 CB SER A 54 2.864 -5.276 10.179 1.00 0.00 C ATOM 839 OG SER A 54 4.071 -4.569 10.082 1.00 0.00 O ATOM 0 H SER A 54 0.330 -5.557 10.199 1.00 0.00 H new ATOM 0 HA SER A 54 2.330 -4.749 12.183 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.064 -6.304 10.483 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.384 -5.320 9.201 1.00 0.00 H new ATOM 0 HG SER A 54 4.658 -5.011 9.434 1.00 0.00 H new ATOM 845 N GLN A 55 2.238 -2.315 11.857 1.00 0.00 N ATOM 846 CA GLN A 55 2.222 -0.866 11.697 1.00 0.00 C ATOM 847 C GLN A 55 3.590 -0.343 11.277 1.00 0.00 C ATOM 848 O GLN A 55 4.597 -0.615 11.931 1.00 0.00 O ATOM 849 CB GLN A 55 1.781 -0.188 12.997 1.00 0.00 C ATOM 850 CG GLN A 55 1.725 1.328 12.920 1.00 0.00 C ATOM 851 CD GLN A 55 1.256 1.957 14.219 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.772 1.265 15.120 1.00 0.00 O ATOM 853 NE2 GLN A 55 1.395 3.273 14.323 1.00 0.00 N ATOM 0 H GLN A 55 2.585 -2.635 12.761 1.00 0.00 H new ATOM 0 HA GLN A 55 1.507 -0.627 10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.796 -0.563 13.273 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.467 -0.475 13.794 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.713 1.713 12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.054 1.623 12.113 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.800 3.805 13.553 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.097 3.752 15.173 1.00 0.00 H new ATOM 862 N GLY A 56 3.621 0.408 10.183 1.00 0.00 N ATOM 863 CA GLY A 56 4.871 0.936 9.649 1.00 0.00 C ATOM 864 C GLY A 56 4.633 2.202 8.836 1.00 0.00 C ATOM 865 O GLY A 56 3.499 2.509 8.466 1.00 0.00 O ATOM 0 H GLY A 56 2.793 0.666 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.557 1.151 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.348 0.183 9.022 1.00 0.00 H new ATOM 869 N GLY A 57 5.708 2.935 8.564 1.00 0.00 N ATOM 870 CA GLY A 57 5.618 4.165 7.786 1.00 0.00 C ATOM 871 C GLY A 57 6.029 5.373 8.617 1.00 0.00 C ATOM 872 O GLY A 57 5.552 6.486 8.391 1.00 0.00 O ATOM 0 H GLY A 57 6.651 2.698 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.258 4.090 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.597 4.297 7.427 1.00 0.00 H new ATOM 876 N CYS A 58 6.915 5.149 9.581 1.00 0.00 N ATOM 877 CA CYS A 58 7.348 6.207 10.486 1.00 0.00 C ATOM 878 C CYS A 58 8.666 6.817 10.029 1.00 0.00 C ATOM 879 O CYS A 58 9.565 6.109 9.574 1.00 0.00 O ATOM 880 CB CYS A 58 7.507 5.667 11.908 1.00 0.00 C ATOM 881 SG CYS A 58 5.977 5.031 12.633 1.00 0.00 S ATOM 0 H CYS A 58 7.348 4.242 9.756 1.00 0.00 H new ATOM 0 HA CYS A 58 6.580 6.981 10.476 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.251 4.871 11.901 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.895 6.461 12.545 1.00 0.00 H new ATOM 0 HG CYS A 58 5.749 3.833 12.183 1.00 0.00 H new ATOM 887 N PRO A 59 8.776 8.136 10.153 1.00 0.00 N ATOM 888 CA PRO A 59 9.961 8.852 9.694 1.00 0.00 C ATOM 889 C PRO A 59 11.106 8.717 10.689 1.00 0.00 C ATOM 890 O PRO A 59 12.259 9.002 10.365 1.00 0.00 O ATOM 891 CB PRO A 59 9.470 10.299 9.590 1.00 0.00 C ATOM 892 CG PRO A 59 8.418 10.404 10.641 1.00 0.00 C ATOM 893 CD PRO A 59 7.720 9.071 10.608 1.00 0.00 C ATOM 0 HA PRO A 59 10.359 8.470 8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.279 11.008 9.764 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.067 10.513 8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.854 10.600 11.621 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.726 11.220 10.431 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.336 8.795 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.871 9.080 9.925 1.00 0.00 H new ATOM 901 N ARG A 60 10.782 8.281 11.902 1.00 0.00 N ATOM 902 CA ARG A 60 11.777 8.146 12.959 1.00 0.00 C ATOM 903 C ARG A 60 11.631 6.815 13.686 1.00 0.00 C ATOM 904 O ARG A 60 12.447 6.472 14.541 1.00 0.00 O ATOM 905 CB ARG A 60 11.650 9.284 13.961 1.00 0.00 C ATOM 906 CG ARG A 60 11.890 10.672 13.387 1.00 0.00 C ATOM 907 CD ARG A 60 13.317 10.879 13.028 1.00 0.00 C ATOM 908 NE ARG A 60 13.567 12.230 12.553 1.00 0.00 N ATOM 909 CZ ARG A 60 13.426 12.630 11.274 1.00 0.00 C ATOM 910 NH1 ARG A 60 13.038 11.772 10.356 1.00 0.00 N ATOM 911 NH2 ARG A 60 13.678 13.883 10.942 1.00 0.00 N ATOM 0 H ARG A 60 9.837 8.015 12.177 1.00 0.00 H new ATOM 0 HA ARG A 60 12.760 8.184 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.652 9.255 14.397 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.358 9.115 14.773 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.268 10.813 12.503 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.585 11.424 14.114 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.943 10.679 13.898 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.605 10.164 12.257 1.00 0.00 H new ATOM 0 HE ARG A 60 13.871 12.924 13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.844 10.804 10.612 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.931 12.075 9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.980 14.548 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.571 14.185 9.974 1.00 0.00 H new ATOM 925 N GLY A 61 10.587 6.069 13.340 1.00 0.00 N ATOM 926 CA GLY A 61 10.339 4.770 13.951 1.00 0.00 C ATOM 927 C GLY A 61 9.808 4.921 15.371 1.00 0.00 C ATOM 928 O GLY A 61 9.868 3.985 16.168 1.00 0.00 O ATOM 0 H GLY A 61 9.899 6.343 12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.621 4.213 13.349 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.262 4.190 13.965 1.00 0.00 H new ATOM 932 N ASN A 62 9.289 6.104 15.681 1.00 0.00 N ATOM 933 CA ASN A 62 8.807 6.401 17.024 1.00 0.00 C ATOM 934 C ASN A 62 7.291 6.275 17.105 1.00 0.00 C ATOM 935 O ASN A 62 6.699 6.456 18.168 1.00 0.00 O ATOM 936 CB ASN A 62 9.251 7.786 17.457 1.00 0.00 C ATOM 937 CG ASN A 62 10.733 7.868 17.700 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.370 6.873 18.065 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.293 9.034 17.505 1.00 0.00 N ATOM 0 H ASN A 62 9.191 6.874 15.019 1.00 0.00 H new ATOM 0 HA ASN A 62 9.241 5.669 17.705 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.971 8.509 16.691 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.721 8.065 18.368 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.295 9.150 17.654 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.727 9.827 17.204 1.00 0.00 H new ATOM 946 N GLY A 63 6.668 5.964 15.973 1.00 0.00 N ATOM 947 CA GLY A 63 5.223 5.772 15.923 1.00 0.00 C ATOM 948 C GLY A 63 4.499 7.091 15.685 1.00 0.00 C ATOM 949 O GLY A 63 3.270 7.142 15.668 1.00 0.00 O ATOM 0 H GLY A 63 7.141 5.840 15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.974 5.069 15.128 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.880 5.330 16.858 1.00 0.00 H new ATOM 953 N THR A 64 5.270 8.158 15.503 1.00 0.00 N ATOM 954 CA THR A 64 4.704 9.489 15.311 1.00 0.00 C ATOM 955 C THR A 64 5.255 10.145 14.052 1.00 0.00 C ATOM 956 O THR A 64 6.283 9.723 13.520 1.00 0.00 O ATOM 957 CB THR A 64 4.982 10.391 16.528 1.00 0.00 C ATOM 958 OG1 THR A 64 6.396 10.581 16.672 1.00 0.00 O ATOM 959 CG2 THR A 64 4.428 9.760 17.796 1.00 0.00 C ATOM 0 H THR A 64 6.289 8.127 15.484 1.00 0.00 H new ATOM 0 HA THR A 64 3.626 9.368 15.201 1.00 0.00 H new ATOM 0 HB THR A 64 4.493 11.352 16.369 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.572 11.156 17.446 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.633 10.411 18.646 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.351 9.625 17.695 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.902 8.792 17.958 1.00 0.00 H new ATOM 967 N GLY A 65 4.567 11.177 13.579 1.00 0.00 N ATOM 968 CA GLY A 65 5.005 11.916 12.401 1.00 0.00 C ATOM 969 C GLY A 65 4.006 11.775 11.258 1.00 0.00 C ATOM 970 O GLY A 65 3.166 10.874 11.264 1.00 0.00 O ATOM 0 H GLY A 65 3.701 11.522 13.994 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.126 12.969 12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.981 11.551 12.081 1.00 0.00 H new ATOM 974 N ASP A 66 4.102 12.668 10.281 1.00 0.00 N ATOM 975 CA ASP A 66 3.222 12.631 9.119 1.00 0.00 C ATOM 976 C ASP A 66 3.959 13.060 7.856 1.00 0.00 C ATOM 977 O ASP A 66 5.190 13.073 7.819 1.00 0.00 O ATOM 978 CB ASP A 66 2.005 13.532 9.338 1.00 0.00 C ATOM 979 CG ASP A 66 2.374 15.002 9.488 1.00 0.00 C ATOM 980 OD1 ASP A 66 3.512 15.334 9.256 1.00 0.00 O ATOM 981 OD2 ASP A 66 1.516 15.777 9.833 1.00 0.00 O ATOM 0 H ASP A 66 4.782 13.428 10.270 1.00 0.00 H new ATOM 0 HA ASP A 66 2.887 11.602 8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.320 13.419 8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.472 13.204 10.230 1.00 0.00 H new ATOM 986 N ALA A 67 3.200 13.410 6.824 1.00 0.00 N ATOM 987 CA ALA A 67 3.776 13.768 5.534 1.00 0.00 C ATOM 988 C ALA A 67 3.890 15.278 5.381 1.00 0.00 C ATOM 989 O ALA A 67 4.074 15.788 4.275 1.00 0.00 O ATOM 990 CB ALA A 67 2.946 13.181 4.402 1.00 0.00 C ATOM 0 H ALA A 67 2.181 13.453 6.856 1.00 0.00 H new ATOM 0 HA ALA A 67 4.781 13.349 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.389 13.457 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.924 12.095 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.929 13.570 4.457 1.00 0.00 H new ATOM 996 N GLY A 68 3.779 15.991 6.496 1.00 0.00 N ATOM 997 CA GLY A 68 3.765 17.449 6.475 1.00 0.00 C ATOM 998 C GLY A 68 2.350 17.983 6.292 1.00 0.00 C ATOM 999 O GLY A 68 2.143 19.190 6.157 1.00 0.00 O ATOM 0 H GLY A 68 3.697 15.582 7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.184 17.833 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.400 17.810 5.666 1.00 0.00 H new ATOM 1003 N TYR A 69 1.377 17.079 6.289 1.00 0.00 N ATOM 1004 CA TYR A 69 -0.018 17.453 6.089 1.00 0.00 C ATOM 1005 C TYR A 69 -0.954 16.310 6.458 1.00 0.00 C ATOM 1006 O TYR A 69 -0.508 15.207 6.774 1.00 0.00 O ATOM 1007 CB TYR A 69 -0.254 17.887 4.640 1.00 0.00 C ATOM 1008 CG TYR A 69 0.122 16.835 3.620 1.00 0.00 C ATOM 1009 CD1 TYR A 69 -0.769 15.817 3.312 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.357 16.889 2.991 1.00 0.00 C ATOM 1011 CE1 TYR A 69 -0.426 14.857 2.381 1.00 0.00 C ATOM 1012 CE2 TYR A 69 1.700 15.928 2.059 1.00 0.00 C ATOM 1013 CZ TYR A 69 0.813 14.916 1.754 1.00 0.00 C ATOM 1014 OH TYR A 69 1.155 13.960 0.826 1.00 0.00 O ATOM 0 H TYR A 69 1.529 16.079 6.423 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.236 18.294 6.748 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.306 18.143 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.320 18.792 4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.731 15.776 3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.050 17.682 3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.118 14.063 2.141 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.662 15.969 1.570 1.00 0.00 H new ATOM 0 HH TYR A 69 0.457 13.905 0.140 1.00 0.00 H new ATOM 1024 N THR A 70 -2.255 16.579 6.413 1.00 0.00 N ATOM 1025 CA THR A 70 -3.258 15.555 6.679 1.00 0.00 C ATOM 1026 C THR A 70 -4.201 15.386 5.493 1.00 0.00 C ATOM 1027 O THR A 70 -4.315 16.274 4.649 1.00 0.00 O ATOM 1028 CB THR A 70 -4.072 15.891 7.943 1.00 0.00 C ATOM 1029 OG1 THR A 70 -4.753 17.138 7.758 1.00 0.00 O ATOM 1030 CG2 THR A 70 -3.157 15.991 9.154 1.00 0.00 C ATOM 0 H THR A 70 -2.639 17.498 6.195 1.00 0.00 H new ATOM 0 HA THR A 70 -2.726 14.617 6.841 1.00 0.00 H new ATOM 0 HB THR A 70 -4.797 15.095 8.113 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.272 17.350 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.748 16.229 10.038 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.647 15.040 9.304 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.419 16.776 8.989 1.00 0.00 H new ATOM 1038 N ILE A 71 -4.874 14.243 5.438 1.00 0.00 N ATOM 1039 CA ILE A 71 -5.809 13.956 4.357 1.00 0.00 C ATOM 1040 C ILE A 71 -7.172 13.549 4.901 1.00 0.00 C ATOM 1041 O ILE A 71 -7.281 13.048 6.020 1.00 0.00 O ATOM 1042 CB ILE A 71 -5.267 12.842 3.443 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -5.056 11.553 4.240 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.971 13.281 2.780 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.715 10.354 3.385 1.00 0.00 C ATOM 0 H ILE A 71 -4.789 13.499 6.130 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.922 14.871 3.775 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.002 12.646 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.256 11.711 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.961 11.336 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.602 12.481 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.153 14.173 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.228 13.503 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.581 9.480 4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.525 10.168 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.793 10.549 2.836 1.00 0.00 H new ATOM 1057 N PRO A 72 -8.212 13.768 4.103 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.570 13.417 4.500 1.00 0.00 C ATOM 1059 C PRO A 72 -9.755 11.905 4.550 1.00 0.00 C ATOM 1060 O PRO A 72 -9.052 11.161 3.865 1.00 0.00 O ATOM 1061 CB PRO A 72 -10.426 14.054 3.401 1.00 0.00 C ATOM 1062 CG PRO A 72 -9.522 14.110 2.219 1.00 0.00 C ATOM 1063 CD PRO A 72 -8.170 14.435 2.797 1.00 0.00 C ATOM 0 HA PRO A 72 -9.832 13.767 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.315 13.459 3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.768 15.048 3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.508 13.160 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.844 14.871 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.361 14.055 2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.019 15.510 2.895 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.704 11.456 5.363 1.00 0.00 N ATOM 1072 CA CYS A 73 -11.021 10.036 5.462 1.00 0.00 C ATOM 1073 C CYS A 73 -11.857 9.575 4.275 1.00 0.00 C ATOM 1074 O CYS A 73 -12.782 10.266 3.849 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.778 9.743 6.757 1.00 0.00 C ATOM 1076 SG CYS A 73 -12.152 7.991 7.013 1.00 0.00 S ATOM 0 H CYS A 73 -11.269 12.056 5.964 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.078 9.489 5.462 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.189 10.105 7.600 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -12.711 10.306 6.755 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.186 7.266 6.532 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.525 8.403 3.745 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.202 7.878 2.564 1.00 0.00 C ATOM 1084 C GLU A 74 -12.728 6.470 2.812 1.00 0.00 C ATOM 1085 O GLU A 74 -12.284 5.511 2.180 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.252 7.874 1.364 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.768 9.253 0.941 1.00 0.00 C ATOM 1088 CD GLU A 74 -9.821 9.208 -0.226 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -8.791 8.589 -0.108 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -10.128 9.794 -1.238 1.00 0.00 O ATOM 0 H GLU A 74 -10.791 7.798 4.114 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.050 8.528 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.386 7.256 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.755 7.404 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.628 9.870 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.274 9.734 1.785 1.00 0.00 H new ATOM 1097 N THR A 75 -13.677 6.352 3.735 1.00 0.00 N ATOM 1098 CA THR A 75 -14.274 5.063 4.059 1.00 0.00 C ATOM 1099 C THR A 75 -15.755 5.037 3.704 1.00 0.00 C ATOM 1100 O THR A 75 -16.349 3.969 3.554 1.00 0.00 O ATOM 1101 CB THR A 75 -14.094 4.728 5.551 1.00 0.00 C ATOM 1102 OG1 THR A 75 -14.717 5.744 6.349 1.00 0.00 O ATOM 1103 CG2 THR A 75 -12.618 4.645 5.905 1.00 0.00 C ATOM 0 H THR A 75 -14.049 7.135 4.272 1.00 0.00 H new ATOM 0 HA THR A 75 -13.758 4.310 3.464 1.00 0.00 H new ATOM 0 HB THR A 75 -14.559 3.763 5.750 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.051 6.418 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.510 4.407 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.144 3.866 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.140 5.602 5.698 1.00 0.00 H new ATOM 1111 N ASP A 76 -16.348 6.219 3.570 1.00 0.00 N ATOM 1112 CA ASP A 76 -17.779 6.335 3.317 1.00 0.00 C ATOM 1113 C ASP A 76 -18.187 5.537 2.085 1.00 0.00 C ATOM 1114 O ASP A 76 -19.224 4.876 2.078 1.00 0.00 O ATOM 1115 CB ASP A 76 -18.174 7.803 3.137 1.00 0.00 C ATOM 1116 CG ASP A 76 -18.151 8.587 4.442 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -18.061 7.974 5.480 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -18.223 9.791 4.389 1.00 0.00 O ATOM 0 H ASP A 76 -15.858 7.111 3.633 1.00 0.00 H new ATOM 0 HA ASP A 76 -18.302 5.927 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -17.495 8.272 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -19.174 7.855 2.705 1.00 0.00 H new ATOM 1123 N ASN A 77 -17.364 5.605 1.044 1.00 0.00 N ATOM 1124 CA ASN A 77 -17.627 4.872 -0.188 1.00 0.00 C ATOM 1125 C ASN A 77 -16.502 3.892 -0.497 1.00 0.00 C ATOM 1126 O ASN A 77 -16.081 3.757 -1.645 1.00 0.00 O ATOM 1127 CB ASN A 77 -17.832 5.832 -1.348 1.00 0.00 C ATOM 1128 CG ASN A 77 -19.067 6.674 -1.188 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -20.193 6.167 -1.262 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -18.879 7.951 -0.970 1.00 0.00 N ATOM 0 H ASN A 77 -16.509 6.161 1.029 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.543 4.298 -0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.962 6.482 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.901 5.265 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -19.680 8.572 -0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.932 8.325 -0.917 1.00 0.00 H new ATOM 1137 N ASN A 78 -16.020 3.210 0.536 1.00 0.00 N ATOM 1138 CA ASN A 78 -14.924 2.260 0.381 1.00 0.00 C ATOM 1139 C ASN A 78 -15.330 0.870 0.856 1.00 0.00 C ATOM 1140 O ASN A 78 -15.332 0.589 2.055 1.00 0.00 O ATOM 1141 CB ASN A 78 -13.692 2.739 1.126 1.00 0.00 C ATOM 1142 CG ASN A 78 -12.519 1.813 0.959 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -12.552 0.893 0.135 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -11.483 2.039 1.726 1.00 0.00 N ATOM 0 H ASN A 78 -16.371 3.297 1.490 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.684 2.196 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.420 3.732 0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.927 2.834 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.658 1.443 1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.501 2.811 2.392 1.00 0.00 H new ATOM 1151 N PRO A 79 -15.672 0.003 -0.091 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.156 -1.334 0.232 1.00 0.00 C ATOM 1153 C PRO A 79 -15.092 -2.142 0.964 1.00 0.00 C ATOM 1154 O PRO A 79 -15.408 -3.068 1.712 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.470 -1.929 -1.144 1.00 0.00 C ATOM 1156 CG PRO A 79 -16.742 -0.741 -2.003 1.00 0.00 C ATOM 1157 CD PRO A 79 -15.768 0.300 -1.520 1.00 0.00 C ATOM 0 HA PRO A 79 -17.018 -1.332 0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.633 -2.513 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.331 -2.596 -1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.589 -0.970 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.772 -0.401 -1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.802 0.215 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.132 1.311 -1.701 1.00 0.00 H new ATOM 1165 N HIS A 80 -13.831 -1.786 0.744 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.713 -2.576 1.248 1.00 0.00 C ATOM 1167 C HIS A 80 -12.674 -2.566 2.771 1.00 0.00 C ATOM 1168 O HIS A 80 -12.896 -1.532 3.400 1.00 0.00 O ATOM 1169 CB HIS A 80 -11.386 -2.050 0.693 1.00 0.00 C ATOM 1170 CG HIS A 80 -11.252 -2.200 -0.791 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.151 -3.428 -1.408 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -11.203 -1.276 -1.779 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.045 -3.253 -2.714 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -11.074 -1.957 -2.964 1.00 0.00 N ATOM 0 H HIS A 80 -13.557 -0.955 0.220 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.858 -3.603 0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.286 -0.996 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.565 -2.578 1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.256 -0.204 -1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.951 -4.037 -3.451 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.011 -1.531 -3.888 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.390 -3.724 3.358 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.406 -3.871 4.809 1.00 0.00 C ATOM 1183 C ARG A 81 -11.035 -4.272 5.336 1.00 0.00 C ATOM 1184 O ARG A 81 -10.157 -4.671 4.572 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.434 -4.912 5.228 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.852 -4.640 4.753 1.00 0.00 C ATOM 1187 CD ARG A 81 -15.773 -5.750 5.108 1.00 0.00 C ATOM 1188 NE ARG A 81 -15.928 -5.885 6.548 1.00 0.00 N ATOM 1189 CZ ARG A 81 -16.686 -6.822 7.151 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -17.350 -7.696 6.427 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -16.762 -6.862 8.470 1.00 0.00 N ATOM 0 H ARG A 81 -12.146 -4.575 2.851 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.675 -2.905 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.120 -5.884 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.438 -4.980 6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.213 -3.712 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.853 -4.498 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.747 -5.573 4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.393 -6.684 4.694 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.428 -5.224 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.291 -7.665 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.924 -8.405 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.247 -6.184 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.336 -7.571 8.927 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.858 -4.165 6.649 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.578 -4.472 7.277 1.00 0.00 C ATOM 1207 C HIS A 82 -9.427 -5.969 7.514 1.00 0.00 C ATOM 1208 O HIS A 82 -9.520 -6.441 8.648 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.434 -3.722 8.605 1.00 0.00 C ATOM 1210 CG HIS A 82 -9.299 -2.239 8.447 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -10.386 -1.410 8.270 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -8.208 -1.439 8.438 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.968 -0.159 8.159 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.651 -0.151 8.258 1.00 0.00 N ATOM 0 H HIS A 82 -11.586 -3.868 7.299 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.791 -4.147 6.597 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.303 -3.935 9.228 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.561 -4.103 9.135 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.181 -1.754 8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.596 0.707 8.013 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.058 0.678 8.209 1.00 0.00 H new ATOM 1221 N VAL A 83 -9.193 -6.713 6.439 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.996 -8.155 6.531 1.00 0.00 C ATOM 1223 C VAL A 83 -7.621 -8.557 6.011 1.00 0.00 C ATOM 1224 O VAL A 83 -6.797 -7.703 5.683 1.00 0.00 O ATOM 1225 CB VAL A 83 -10.082 -8.896 5.729 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.462 -8.592 6.293 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -10.000 -8.503 4.262 1.00 0.00 C ATOM 0 H VAL A 83 -9.135 -6.340 5.491 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.066 -8.432 7.583 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.913 -9.970 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.217 -9.124 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.509 -8.914 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.650 -7.520 6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.771 -9.031 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.152 -7.428 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.019 -8.768 3.869 1.00 0.00 H new ATOM 1237 N THR A 84 -7.380 -9.860 5.939 1.00 0.00 N ATOM 1238 CA THR A 84 -6.101 -10.378 5.466 1.00 0.00 C ATOM 1239 C THR A 84 -5.719 -9.761 4.127 1.00 0.00 C ATOM 1240 O THR A 84 -6.419 -9.936 3.130 1.00 0.00 O ATOM 1241 CB THR A 84 -6.138 -11.912 5.338 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.461 -12.494 6.607 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.790 -12.441 4.872 1.00 0.00 C ATOM 0 H THR A 84 -8.054 -10.579 6.202 1.00 0.00 H new ATOM 0 HA THR A 84 -5.348 -10.105 6.205 1.00 0.00 H new ATOM 0 HB THR A 84 -6.897 -12.181 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.709 -12.372 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.835 -13.527 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.546 -12.011 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.021 -12.165 5.594 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.603 -9.039 4.111 1.00 0.00 N ATOM 1252 CA GLY A 85 -4.086 -8.457 2.879 1.00 0.00 C ATOM 1253 C GLY A 85 -4.258 -6.944 2.869 1.00 0.00 C ATOM 1254 O GLY A 85 -3.483 -6.225 2.239 1.00 0.00 O ATOM 0 H GLY A 85 -4.039 -8.843 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.030 -8.706 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.605 -8.890 2.024 1.00 0.00 H new ATOM 1258 N ALA A 86 -5.278 -6.465 3.573 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.677 -5.065 3.490 1.00 0.00 C ATOM 1260 C ALA A 86 -4.545 -4.144 3.924 1.00 0.00 C ATOM 1261 O ALA A 86 -3.841 -4.422 4.895 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.916 -4.816 4.337 1.00 0.00 C ATOM 0 H ALA A 86 -5.844 -7.027 4.209 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.912 -4.843 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.201 -3.766 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.734 -5.440 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.702 -5.063 5.377 1.00 0.00 H new ATOM 1268 N MET A 87 -4.372 -3.044 3.199 1.00 0.00 N ATOM 1269 CA MET A 87 -3.444 -1.996 3.604 1.00 0.00 C ATOM 1270 C MET A 87 -4.167 -0.670 3.813 1.00 0.00 C ATOM 1271 O MET A 87 -4.783 -0.137 2.890 1.00 0.00 O ATOM 1272 CB MET A 87 -2.336 -1.840 2.565 1.00 0.00 C ATOM 1273 CG MET A 87 -1.277 -0.806 2.923 1.00 0.00 C ATOM 1274 SD MET A 87 0.033 -0.696 1.687 1.00 0.00 S ATOM 1275 CE MET A 87 1.086 -2.053 2.189 1.00 0.00 C ATOM 0 H MET A 87 -4.864 -2.855 2.326 1.00 0.00 H new ATOM 0 HA MET A 87 -2.998 -2.288 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.850 -2.805 2.423 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.786 -1.566 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.750 0.170 3.033 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.840 -1.059 3.889 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.925 -2.138 1.498 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.462 -1.869 3.195 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.513 -2.980 2.180 1.00 0.00 H new ATOM 1285 N SER A 88 -4.088 -0.145 5.031 1.00 0.00 N ATOM 1286 CA SER A 88 -4.933 0.971 5.439 1.00 0.00 C ATOM 1287 C SER A 88 -4.097 2.141 5.941 1.00 0.00 C ATOM 1288 O SER A 88 -3.170 1.961 6.730 1.00 0.00 O ATOM 1289 CB SER A 88 -5.897 0.526 6.522 1.00 0.00 C ATOM 1290 OG SER A 88 -6.744 1.575 6.903 1.00 0.00 O ATOM 0 H SER A 88 -3.447 -0.475 5.753 1.00 0.00 H new ATOM 0 HA SER A 88 -5.496 1.303 4.567 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.492 -0.314 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.338 0.172 7.388 1.00 0.00 H new ATOM 0 HG SER A 88 -7.627 1.446 6.498 1.00 0.00 H new ATOM 1296 N MET A 89 -4.431 3.341 5.479 1.00 0.00 N ATOM 1297 CA MET A 89 -3.739 4.549 5.914 1.00 0.00 C ATOM 1298 C MET A 89 -4.200 4.977 7.302 1.00 0.00 C ATOM 1299 O MET A 89 -5.397 5.099 7.559 1.00 0.00 O ATOM 1300 CB MET A 89 -3.963 5.676 4.907 1.00 0.00 C ATOM 1301 CG MET A 89 -3.232 6.970 5.238 1.00 0.00 C ATOM 1302 SD MET A 89 -1.439 6.797 5.156 1.00 0.00 S ATOM 1303 CE MET A 89 -1.206 6.520 3.403 1.00 0.00 C ATOM 0 H MET A 89 -5.177 3.503 4.803 1.00 0.00 H new ATOM 0 HA MET A 89 -2.673 4.329 5.968 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.645 5.335 3.922 1.00 0.00 H new ATOM 0 HB3 MET A 89 -5.031 5.883 4.843 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.550 7.749 4.545 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.516 7.297 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.897 5.488 3.236 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.142 6.708 2.877 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.437 7.195 3.027 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.241 5.205 8.192 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.547 5.581 9.568 1.00 0.00 C ATOM 1315 C ALA A 90 -3.997 7.033 9.654 1.00 0.00 C ATOM 1316 O ALA A 90 -3.604 7.865 8.837 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.337 5.348 10.462 1.00 0.00 C ATOM 0 H ALA A 90 -2.244 5.136 7.986 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.368 4.953 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.581 5.633 11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.062 4.294 10.435 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.501 5.950 10.107 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.825 7.332 10.649 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.221 8.708 10.930 1.00 0.00 C ATOM 1325 C HIS A 91 -5.274 8.970 12.430 1.00 0.00 C ATOM 1326 O HIS A 91 -5.187 8.044 13.236 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.584 9.017 10.303 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.707 8.205 10.873 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.152 8.359 12.169 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.471 7.233 10.324 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.146 7.515 12.391 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.357 6.821 11.289 1.00 0.00 N ATOM 0 H HIS A 91 -5.236 6.639 11.275 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.469 9.363 10.490 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.806 10.075 10.441 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.528 8.840 9.229 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.398 6.852 9.316 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.692 7.412 13.317 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.064 6.095 11.173 1.00 0.00 H new ATOM 1339 N ARG A 92 -5.416 10.239 12.798 1.00 0.00 N ATOM 1340 CA ARG A 92 -5.522 10.622 14.201 1.00 0.00 C ATOM 1341 C ARG A 92 -6.891 11.214 14.508 1.00 0.00 C ATOM 1342 O ARG A 92 -7.024 12.079 15.374 1.00 0.00 O ATOM 1343 CB ARG A 92 -4.443 11.632 14.563 1.00 0.00 C ATOM 1344 CG ARG A 92 -3.018 11.115 14.449 1.00 0.00 C ATOM 1345 CD ARG A 92 -2.035 12.085 14.995 1.00 0.00 C ATOM 1346 NE ARG A 92 -0.682 11.552 14.985 1.00 0.00 N ATOM 1347 CZ ARG A 92 0.405 12.217 15.423 1.00 0.00 C ATOM 1348 NH1 ARG A 92 0.283 13.435 15.900 1.00 0.00 N ATOM 1349 NH2 ARG A 92 1.594 11.643 15.371 1.00 0.00 N ATOM 0 H ARG A 92 -5.460 11.020 12.144 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.388 9.720 14.798 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.550 12.504 13.917 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.611 11.970 15.586 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.931 10.169 14.983 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.787 10.913 13.403 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.067 13.003 14.409 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.314 12.348 16.015 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.546 10.609 14.621 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.635 13.878 15.939 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.106 13.938 16.231 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.688 10.698 15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.418 12.145 15.702 1.00 0.00 H new ATOM 1363 N GLY A 93 -7.908 10.742 13.795 1.00 0.00 N ATOM 1364 CA GLY A 93 -9.266 11.239 13.977 1.00 0.00 C ATOM 1365 C GLY A 93 -9.952 11.475 12.637 1.00 0.00 C ATOM 1366 O GLY A 93 -9.409 11.138 11.585 1.00 0.00 O ATOM 0 H GLY A 93 -7.817 10.015 13.085 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.843 10.523 14.562 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.242 12.169 14.545 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.145 12.056 12.683 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.923 12.304 11.475 1.00 0.00 C ATOM 1372 C ARG A 94 -11.170 13.208 10.509 1.00 0.00 C ATOM 1373 O ARG A 94 -10.779 14.321 10.863 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.262 12.939 11.822 1.00 0.00 C ATOM 1375 CG ARG A 94 -14.213 13.108 10.647 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.508 13.697 11.070 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.225 12.829 11.991 1.00 0.00 N ATOM 1378 CZ ARG A 94 -16.984 11.780 11.618 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -17.117 11.484 10.345 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -17.597 11.051 12.535 1.00 0.00 N ATOM 0 H ARG A 94 -11.595 12.365 13.545 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.093 11.342 10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.751 12.329 12.582 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.080 13.917 12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.751 13.747 9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.389 12.139 10.179 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.330 14.662 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.126 13.883 10.192 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.148 13.028 12.988 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.646 12.048 9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.692 10.690 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.495 11.283 13.523 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.172 10.257 12.254 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.970 12.726 9.287 1.00 0.00 N ATOM 1395 CA ASP A 95 -10.324 13.517 8.247 1.00 0.00 C ATOM 1396 C ASP A 95 -8.967 14.032 8.709 1.00 0.00 C ATOM 1397 O ASP A 95 -8.597 15.173 8.428 1.00 0.00 O ATOM 1398 CB ASP A 95 -11.213 14.697 7.842 1.00 0.00 C ATOM 1399 CG ASP A 95 -12.542 14.257 7.242 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -12.534 13.400 6.392 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -13.553 14.785 7.642 1.00 0.00 O ATOM 0 H ASP A 95 -11.247 11.789 8.993 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.172 12.868 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.403 15.320 8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.681 15.316 7.120 1.00 0.00 H new ATOM 1406 N THR A 96 -8.228 13.186 9.417 1.00 0.00 N ATOM 1407 CA THR A 96 -6.916 13.558 9.931 1.00 0.00 C ATOM 1408 C THR A 96 -5.880 12.482 9.628 1.00 0.00 C ATOM 1409 O THR A 96 -5.159 12.034 10.520 1.00 0.00 O ATOM 1410 CB THR A 96 -6.967 13.815 11.449 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.971 14.797 11.736 1.00 0.00 O ATOM 1412 CG2 THR A 96 -5.620 14.311 11.951 1.00 0.00 C ATOM 0 H THR A 96 -8.516 12.235 9.649 1.00 0.00 H new ATOM 0 HA THR A 96 -6.622 14.479 9.428 1.00 0.00 H new ATOM 0 HB THR A 96 -7.209 12.879 11.953 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.852 14.447 11.486 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.675 14.487 13.025 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.856 13.561 11.745 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.362 15.241 11.443 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.811 12.072 8.367 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.866 11.045 7.946 1.00 0.00 C ATOM 1422 C GLY A 97 -3.429 11.531 8.080 1.00 0.00 C ATOM 1423 O GLY A 97 -3.164 12.733 8.044 1.00 0.00 O ATOM 0 H GLY A 97 -6.399 12.436 7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.007 10.148 8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.064 10.767 6.911 1.00 0.00 H new ATOM 1427 N SER A 98 -2.503 10.591 8.233 1.00 0.00 N ATOM 1428 CA SER A 98 -1.085 10.918 8.329 1.00 0.00 C ATOM 1429 C SER A 98 -0.304 10.326 7.164 1.00 0.00 C ATOM 1430 O SER A 98 -0.652 10.531 6.001 1.00 0.00 O ATOM 1431 CB SER A 98 -0.519 10.409 9.641 1.00 0.00 C ATOM 1432 OG SER A 98 -0.508 9.008 9.672 1.00 0.00 O ATOM 0 H SER A 98 -2.710 9.594 8.293 1.00 0.00 H new ATOM 0 HA SER A 98 -0.986 12.003 8.290 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.494 10.787 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.114 10.790 10.471 1.00 0.00 H new ATOM 0 HG SER A 98 -0.137 8.703 10.526 1.00 0.00 H new ATOM 1438 N CYS A 99 0.756 9.590 7.482 1.00 0.00 N ATOM 1439 CA CYS A 99 1.566 8.933 6.464 1.00 0.00 C ATOM 1440 C CYS A 99 1.847 7.482 6.836 1.00 0.00 C ATOM 1441 O CYS A 99 2.325 6.701 6.012 1.00 0.00 O ATOM 1442 CB CYS A 99 2.890 9.670 6.270 1.00 0.00 C ATOM 1443 SG CYS A 99 4.050 9.479 7.646 1.00 0.00 S ATOM 0 H CYS A 99 1.074 9.434 8.438 1.00 0.00 H new ATOM 0 HA CYS A 99 1.000 8.955 5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.364 9.310 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.685 10.731 6.126 1.00 0.00 H new ATOM 0 HG CYS A 99 4.462 8.247 7.699 1.00 0.00 H new ATOM 1449 N GLN A 100 1.549 7.127 8.080 1.00 0.00 N ATOM 1450 CA GLN A 100 1.677 5.749 8.536 1.00 0.00 C ATOM 1451 C GLN A 100 0.580 4.870 7.948 1.00 0.00 C ATOM 1452 O GLN A 100 -0.489 5.357 7.579 1.00 0.00 O ATOM 1453 CB GLN A 100 1.636 5.683 10.065 1.00 0.00 C ATOM 1454 CG GLN A 100 2.799 6.381 10.750 1.00 0.00 C ATOM 1455 CD GLN A 100 2.744 6.250 12.260 1.00 0.00 C ATOM 1456 OE1 GLN A 100 2.889 5.153 12.807 1.00 0.00 O ATOM 1457 NE2 GLN A 100 2.536 7.369 12.943 1.00 0.00 N ATOM 0 H GLN A 100 1.216 7.777 8.793 1.00 0.00 H new ATOM 0 HA GLN A 100 2.640 5.373 8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.704 6.129 10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.623 4.637 10.372 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.737 5.961 10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.796 7.437 10.479 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.422 8.254 12.449 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.491 7.344 13.962 1.00 0.00 H new ATOM 1466 N PHE A 101 0.851 3.572 7.863 1.00 0.00 N ATOM 1467 CA PHE A 101 -0.102 2.627 7.294 1.00 0.00 C ATOM 1468 C PHE A 101 -0.039 1.283 8.010 1.00 0.00 C ATOM 1469 O PHE A 101 0.976 0.937 8.614 1.00 0.00 O ATOM 1470 CB PHE A 101 0.169 2.427 5.802 1.00 0.00 C ATOM 1471 CG PHE A 101 1.531 1.867 5.502 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.614 2.709 5.298 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.732 0.497 5.426 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.866 2.196 5.021 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.984 -0.019 5.151 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.051 0.830 4.948 1.00 0.00 C ATOM 0 H PHE A 101 1.724 3.150 8.181 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.100 3.044 7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.587 1.758 5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.059 3.384 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.477 3.779 5.356 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.901 -0.174 5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.700 2.863 4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.127 -1.088 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.030 0.427 4.732 1.00 0.00 H new ATOM 1486 N PHE A 102 -1.130 0.529 7.939 1.00 0.00 N ATOM 1487 CA PHE A 102 -1.182 -0.802 8.532 1.00 0.00 C ATOM 1488 C PHE A 102 -1.203 -1.883 7.459 1.00 0.00 C ATOM 1489 O PHE A 102 -1.980 -1.812 6.507 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.416 -0.941 9.427 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.442 0.023 10.578 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -1.758 -0.258 11.751 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -3.149 1.212 10.490 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -1.781 0.627 12.812 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -3.173 2.100 11.549 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.490 1.808 12.710 1.00 0.00 C ATOM 0 H PHE A 102 -1.992 0.817 7.476 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.283 -0.931 9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.311 -0.794 8.822 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.458 -1.958 9.816 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.201 -1.179 11.836 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.687 1.447 9.584 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.245 0.395 13.720 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.727 3.023 11.467 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.509 2.501 13.538 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.343 -2.883 7.619 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.447 -4.113 6.842 1.00 0.00 C ATOM 1508 C ILE A 103 -1.177 -5.198 7.623 1.00 0.00 C ATOM 1509 O ILE A 103 -0.628 -5.782 8.557 1.00 0.00 O ATOM 1510 CB ILE A 103 0.948 -4.625 6.435 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.673 -3.577 5.585 1.00 0.00 C ATOM 1512 CG2 ILE A 103 0.832 -5.940 5.681 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.112 -3.928 5.282 1.00 0.00 C ATOM 0 H ILE A 103 0.434 -2.866 8.280 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.019 -3.881 5.944 1.00 0.00 H new ATOM 0 HB ILE A 103 1.532 -4.799 7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.135 -3.448 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.644 -2.619 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.826 -6.288 5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.354 -6.684 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.233 -5.793 4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.559 -3.139 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.666 -4.028 6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.149 -4.870 4.735 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.421 -5.462 7.236 1.00 0.00 N ATOM 1526 CA VAL A 104 -3.271 -6.392 7.970 1.00 0.00 C ATOM 1527 C VAL A 104 -3.059 -7.824 7.496 1.00 0.00 C ATOM 1528 O VAL A 104 -3.152 -8.112 6.303 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.752 -6.010 7.800 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.645 -6.996 8.539 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.983 -4.593 8.301 1.00 0.00 C ATOM 0 H VAL A 104 -2.863 -5.044 6.417 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.997 -6.330 9.023 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.008 -6.051 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.689 -6.710 8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.490 -7.998 8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.397 -6.987 9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.034 -4.330 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.715 -4.532 9.356 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.366 -3.900 7.729 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.777 -8.718 8.436 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.644 -10.137 8.129 1.00 0.00 C ATOM 1543 C HIS A 105 -3.808 -10.936 8.705 1.00 0.00 C ATOM 1544 O HIS A 105 -4.146 -12.007 8.203 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.322 -10.688 8.672 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.111 -10.019 8.100 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.310 -10.227 6.802 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.769 -9.148 8.646 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.397 -9.510 6.576 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.696 -8.848 7.677 1.00 0.00 N ATOM 0 H HIS A 105 -2.636 -8.485 9.419 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.654 -10.240 7.044 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.310 -10.576 9.756 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.270 -11.756 8.461 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -0.146 -10.838 6.124 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.747 -8.761 9.654 1.00 0.00 H new ATOM 0 HE1 HIS A 105 1.947 -9.472 5.647 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.416 -10.407 9.761 1.00 0.00 N ATOM 1558 CA GLU A 106 -5.628 -10.993 10.320 1.00 0.00 C ATOM 1559 C GLU A 106 -6.720 -9.944 10.489 1.00 0.00 C ATOM 1560 O GLU A 106 -6.473 -8.855 11.006 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.330 -11.654 11.667 1.00 0.00 C ATOM 1562 CG GLU A 106 -6.533 -12.315 12.324 1.00 0.00 C ATOM 1563 CD GLU A 106 -6.199 -12.961 13.640 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.406 -13.871 13.649 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -6.739 -12.543 14.638 1.00 0.00 O ATOM 0 H GLU A 106 -4.089 -9.572 10.247 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.984 -11.750 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.551 -12.404 11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.929 -10.902 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.312 -11.568 12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.942 -13.067 11.649 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.929 -10.280 10.051 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.073 -9.389 10.201 1.00 0.00 C ATOM 1574 C PRO A 107 -9.157 -8.834 11.618 1.00 0.00 C ATOM 1575 O PRO A 107 -9.072 -9.581 12.593 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.263 -10.300 9.882 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.725 -11.269 8.885 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.319 -11.542 9.351 1.00 0.00 C ATOM 0 HA PRO A 107 -9.024 -8.512 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.626 -10.808 10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.100 -9.733 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.319 -12.182 8.858 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.736 -10.851 7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.278 -12.401 10.021 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.654 -11.758 8.515 1.00 0.00 H new ATOM 1586 N GLN A 108 -9.322 -7.520 11.724 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.270 -6.843 13.015 1.00 0.00 C ATOM 1588 C GLN A 108 -10.507 -5.982 13.235 1.00 0.00 C ATOM 1589 O GLN A 108 -10.599 -4.868 12.717 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.009 -5.982 13.119 1.00 0.00 C ATOM 1591 CG GLN A 108 -7.857 -5.260 14.447 1.00 0.00 C ATOM 1592 CD GLN A 108 -8.030 -6.188 15.634 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -9.116 -6.280 16.213 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -6.960 -6.882 16.003 1.00 0.00 N ATOM 0 H GLN A 108 -9.493 -6.902 10.931 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.242 -7.608 13.791 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -7.136 -6.615 12.960 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.018 -5.245 12.316 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.872 -4.795 14.494 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.592 -4.457 14.507 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.082 -6.774 15.495 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.016 -7.523 16.794 1.00 0.00 H new ATOM 1603 N PRO A 109 -11.457 -6.503 14.002 1.00 0.00 N ATOM 1604 CA PRO A 109 -12.695 -5.786 14.284 1.00 0.00 C ATOM 1605 C PRO A 109 -12.413 -4.402 14.853 1.00 0.00 C ATOM 1606 O PRO A 109 -13.130 -3.444 14.567 1.00 0.00 O ATOM 1607 CB PRO A 109 -13.390 -6.688 15.310 1.00 0.00 C ATOM 1608 CG PRO A 109 -12.907 -8.058 14.978 1.00 0.00 C ATOM 1609 CD PRO A 109 -11.464 -7.864 14.597 1.00 0.00 C ATOM 0 HA PRO A 109 -13.302 -5.607 13.396 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -13.126 -6.409 16.330 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -14.475 -6.618 15.232 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.006 -8.731 15.829 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.479 -8.493 14.159 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.805 -7.930 15.463 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.130 -8.618 13.884 1.00 0.00 H new ATOM 1617 N HIS A 110 -11.362 -4.303 15.662 1.00 0.00 N ATOM 1618 CA HIS A 110 -11.053 -3.066 16.368 1.00 0.00 C ATOM 1619 C HIS A 110 -10.616 -1.973 15.400 1.00 0.00 C ATOM 1620 O HIS A 110 -10.664 -0.787 15.725 1.00 0.00 O ATOM 1621 CB HIS A 110 -9.957 -3.298 17.412 1.00 0.00 C ATOM 1622 CG HIS A 110 -10.407 -4.107 18.589 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -10.382 -5.485 18.597 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -10.896 -3.731 19.794 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -10.835 -5.924 19.759 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -11.154 -4.879 20.502 1.00 0.00 N ATOM 0 H HIS A 110 -10.710 -5.066 15.844 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.963 -2.740 16.872 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.116 -3.802 16.936 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.593 -2.333 17.764 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -10.064 -6.074 17.827 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.054 -2.718 20.135 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.928 -6.960 20.051 1.00 0.00 H new ATOM 1633 N LEU A 111 -10.191 -2.380 14.208 1.00 0.00 N ATOM 1634 CA LEU A 111 -9.778 -1.435 13.179 1.00 0.00 C ATOM 1635 C LEU A 111 -10.730 -1.466 11.989 1.00 0.00 C ATOM 1636 O LEU A 111 -10.574 -0.702 11.037 1.00 0.00 O ATOM 1637 CB LEU A 111 -8.354 -1.753 12.708 1.00 0.00 C ATOM 1638 CG LEU A 111 -7.263 -1.667 13.784 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -5.931 -2.106 13.193 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.183 -0.243 14.314 1.00 0.00 C ATOM 0 H LEU A 111 -10.124 -3.360 13.932 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.802 -0.436 13.614 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.346 -2.759 12.288 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.097 -1.068 11.900 1.00 0.00 H new ATOM 0 HG LEU A 111 -7.506 -2.330 14.615 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.156 -2.045 13.957 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.011 -3.134 12.839 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.670 -1.454 12.359 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.408 -0.182 15.078 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.941 0.436 13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.143 0.038 14.747 1.00 0.00 H new ATOM 1652 N ASP A 112 -11.718 -2.352 12.052 1.00 0.00 N ATOM 1653 CA ASP A 112 -12.583 -2.617 10.907 1.00 0.00 C ATOM 1654 C ASP A 112 -13.409 -1.389 10.547 1.00 0.00 C ATOM 1655 O ASP A 112 -14.382 -1.062 11.226 1.00 0.00 O ATOM 1656 CB ASP A 112 -13.512 -3.798 11.199 1.00 0.00 C ATOM 1657 CG ASP A 112 -14.377 -4.179 10.006 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -14.340 -3.480 9.021 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -15.066 -5.169 10.090 1.00 0.00 O ATOM 0 H ASP A 112 -11.940 -2.899 12.884 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.945 -2.865 10.059 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -12.914 -4.659 11.498 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.155 -3.548 12.043 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.016 -0.712 9.473 1.00 0.00 N ATOM 1665 CA GLY A 113 -13.763 0.436 8.975 1.00 0.00 C ATOM 1666 C GLY A 113 -13.356 1.713 9.698 1.00 0.00 C ATOM 1667 O GLY A 113 -13.941 2.774 9.481 1.00 0.00 O ATOM 0 H GLY A 113 -12.183 -0.940 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.590 0.550 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -14.831 0.264 9.108 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.349 1.605 10.558 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.858 2.752 11.313 1.00 0.00 C ATOM 1673 C VAL A 114 -10.953 3.628 10.457 1.00 0.00 C ATOM 1674 O VAL A 114 -11.169 4.834 10.339 1.00 0.00 O ATOM 1675 CB VAL A 114 -11.086 2.282 12.559 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -10.439 3.466 13.263 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -12.023 1.540 13.500 1.00 0.00 C ATOM 0 H VAL A 114 -11.856 0.733 10.750 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.722 3.340 11.621 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.294 1.601 12.248 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.897 3.115 14.142 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.745 3.959 12.582 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.210 4.172 13.570 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.470 1.210 14.379 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.831 2.204 13.807 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.441 0.673 12.988 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.937 3.013 9.860 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.019 3.728 8.980 1.00 0.00 C ATOM 1689 C HIS A 115 -9.391 3.526 7.517 1.00 0.00 C ATOM 1690 O HIS A 115 -10.359 2.835 7.202 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.577 3.268 9.215 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.095 3.489 10.615 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.658 4.717 11.066 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.982 2.641 11.663 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.296 4.614 12.333 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.482 3.364 12.719 1.00 0.00 N ATOM 0 H HIS A 115 -9.728 2.021 9.970 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.097 4.790 9.215 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.500 2.207 8.977 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.919 3.798 8.526 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.237 1.592 11.669 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.913 5.415 12.948 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -6.286 2.996 13.650 1.00 0.00 H new ATOM 1703 N THR A 116 -8.615 4.133 6.626 1.00 0.00 N ATOM 1704 CA THR A 116 -8.928 4.120 5.202 1.00 0.00 C ATOM 1705 C THR A 116 -8.087 3.088 4.463 1.00 0.00 C ATOM 1706 O THR A 116 -6.898 3.299 4.221 1.00 0.00 O ATOM 1707 CB THR A 116 -8.712 5.509 4.573 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.632 6.446 5.149 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.926 5.453 3.068 1.00 0.00 C ATOM 0 H THR A 116 -7.763 4.641 6.865 1.00 0.00 H new ATOM 0 HA THR A 116 -9.980 3.850 5.106 1.00 0.00 H new ATOM 0 HB THR A 116 -7.688 5.826 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.178 7.302 5.296 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.769 6.444 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.219 4.751 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.944 5.124 2.857 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.709 1.970 4.105 1.00 0.00 N ATOM 1718 CA VAL A 117 -8.058 0.961 3.278 1.00 0.00 C ATOM 1719 C VAL A 117 -7.883 1.450 1.847 1.00 0.00 C ATOM 1720 O VAL A 117 -8.860 1.742 1.156 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.882 -0.341 3.276 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -8.235 -1.380 2.372 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -9.018 -0.871 4.695 1.00 0.00 C ATOM 0 H VAL A 117 -9.665 1.739 4.375 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.073 0.770 3.703 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.878 -0.128 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.830 -2.293 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.181 -0.994 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.229 -1.599 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.602 -1.791 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.028 -1.073 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.522 -0.129 5.314 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.632 1.539 1.406 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.310 2.184 0.139 1.00 0.00 C ATOM 1735 C PHE A 118 -5.529 1.249 -0.774 1.00 0.00 C ATOM 1736 O PHE A 118 -5.377 1.512 -1.966 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.504 3.461 0.381 1.00 0.00 C ATOM 1738 CG PHE A 118 -4.109 3.212 0.879 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.855 3.074 2.235 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -3.047 3.115 -0.009 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.572 2.845 2.694 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.763 2.885 0.448 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.525 2.750 1.799 1.00 0.00 C ATOM 0 H PHE A 118 -5.824 1.172 1.909 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.250 2.438 -0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.452 4.028 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -6.033 4.082 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.669 3.146 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.226 3.220 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.388 2.740 3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.946 2.811 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.522 2.570 2.157 1.00 0.00 H new ATOM 1753 N GLY A 119 -5.034 0.154 -0.206 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.277 -0.830 -0.970 1.00 0.00 C ATOM 1755 C GLY A 119 -4.492 -2.236 -0.425 1.00 0.00 C ATOM 1756 O GLY A 119 -5.215 -2.429 0.552 1.00 0.00 O ATOM 0 H GLY A 119 -5.144 -0.074 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.580 -0.793 -2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.216 -0.582 -0.936 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.859 -3.215 -1.062 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.948 -4.601 -0.617 1.00 0.00 C ATOM 1762 C GLN A 120 -2.746 -5.409 -1.089 1.00 0.00 C ATOM 1763 O GLN A 120 -2.426 -5.428 -2.278 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.242 -5.245 -1.124 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.428 -6.690 -0.696 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.705 -7.297 -1.244 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.510 -6.613 -1.881 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.897 -8.588 -1.001 1.00 0.00 N ATOM 0 H GLN A 120 -3.278 -3.074 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.954 -4.600 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -6.090 -4.660 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.257 -5.196 -2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.575 -7.279 -1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.441 -6.745 0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.204 -9.115 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.737 -9.052 -1.346 1.00 0.00 H new ATOM 1777 N VAL A 121 -2.083 -6.076 -0.151 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.932 -6.911 -0.472 1.00 0.00 C ATOM 1779 C VAL A 121 -1.345 -8.128 -1.291 1.00 0.00 C ATOM 1780 O VAL A 121 -2.277 -8.845 -0.926 1.00 0.00 O ATOM 1781 CB VAL A 121 -0.231 -7.377 0.817 1.00 0.00 C ATOM 1782 CG1 VAL A 121 0.912 -8.325 0.491 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.272 -6.172 1.598 1.00 0.00 C ATOM 0 H VAL A 121 -2.324 -6.054 0.840 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.243 -6.309 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.949 -7.917 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.395 -8.643 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.523 -9.197 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.639 -7.815 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.767 -6.509 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.980 -5.612 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.570 -5.530 1.859 1.00 0.00 H new ATOM 1793 N THR A 122 -0.647 -8.355 -2.398 1.00 0.00 N ATOM 1794 CA THR A 122 -0.979 -9.451 -3.301 1.00 0.00 C ATOM 1795 C THR A 122 0.140 -10.484 -3.348 1.00 0.00 C ATOM 1796 O THR A 122 -0.077 -11.631 -3.741 1.00 0.00 O ATOM 1797 CB THR A 122 -1.262 -8.931 -4.722 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.090 -8.291 -5.243 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.413 -7.936 -4.707 1.00 0.00 C ATOM 0 H THR A 122 0.153 -7.794 -2.692 1.00 0.00 H new ATOM 0 HA THR A 122 -1.880 -9.927 -2.914 1.00 0.00 H new ATOM 0 HB THR A 122 -1.534 -9.777 -5.354 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.272 -7.962 -6.148 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.599 -7.579 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.310 -8.423 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.156 -7.092 -4.067 1.00 0.00 H new ATOM 1807 N SER A 123 1.337 -10.072 -2.945 1.00 0.00 N ATOM 1808 CA SER A 123 2.482 -10.974 -2.896 1.00 0.00 C ATOM 1809 C SER A 123 3.513 -10.500 -1.881 1.00 0.00 C ATOM 1810 O SER A 123 3.691 -9.300 -1.677 1.00 0.00 O ATOM 1811 CB SER A 123 3.120 -11.082 -4.267 1.00 0.00 C ATOM 1812 OG SER A 123 4.246 -11.915 -4.233 1.00 0.00 O ATOM 0 H SER A 123 1.540 -9.118 -2.647 1.00 0.00 H new ATOM 0 HA SER A 123 2.124 -11.956 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.395 -11.474 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.407 -10.091 -4.617 1.00 0.00 H new ATOM 0 HG SER A 123 4.639 -11.970 -5.129 1.00 0.00 H new ATOM 1818 N GLY A 124 4.191 -11.451 -1.247 1.00 0.00 N ATOM 1819 CA GLY A 124 5.204 -11.132 -0.248 1.00 0.00 C ATOM 1820 C GLY A 124 4.570 -10.831 1.104 1.00 0.00 C ATOM 1821 O GLY A 124 5.165 -10.152 1.942 1.00 0.00 O ATOM 0 H GLY A 124 4.057 -12.449 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.897 -11.968 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.786 -10.272 -0.579 1.00 0.00 H new ATOM 1825 N MET A 125 3.361 -11.341 1.311 1.00 0.00 N ATOM 1826 CA MET A 125 2.665 -11.169 2.581 1.00 0.00 C ATOM 1827 C MET A 125 3.360 -11.936 3.698 1.00 0.00 C ATOM 1828 O MET A 125 3.167 -11.645 4.878 1.00 0.00 O ATOM 1829 CB MET A 125 1.211 -11.619 2.450 1.00 0.00 C ATOM 1830 CG MET A 125 1.034 -13.107 2.184 1.00 0.00 C ATOM 1831 SD MET A 125 -0.698 -13.582 2.017 1.00 0.00 S ATOM 1832 CE MET A 125 -1.263 -13.400 3.707 1.00 0.00 C ATOM 0 H MET A 125 2.842 -11.877 0.615 1.00 0.00 H new ATOM 0 HA MET A 125 2.686 -10.110 2.839 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.680 -11.361 3.366 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.742 -11.059 1.641 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.570 -13.376 1.274 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.485 -13.674 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 125 -2.223 -13.902 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.534 -13.846 4.384 1.00 0.00 H new ATOM 0 HE3 MET A 125 -1.376 -12.341 3.941 1.00 0.00 H new ATOM 1842 N ASP A 126 4.170 -12.919 3.318 1.00 0.00 N ATOM 1843 CA ASP A 126 4.913 -13.716 4.287 1.00 0.00 C ATOM 1844 C ASP A 126 6.299 -13.133 4.532 1.00 0.00 C ATOM 1845 O ASP A 126 7.110 -13.717 5.251 1.00 0.00 O ATOM 1846 CB ASP A 126 5.040 -15.164 3.806 1.00 0.00 C ATOM 1847 CG ASP A 126 5.825 -15.291 2.508 1.00 0.00 C ATOM 1848 OD1 ASP A 126 6.223 -14.281 1.976 1.00 0.00 O ATOM 1849 OD2 ASP A 126 6.019 -16.395 2.060 1.00 0.00 O ATOM 0 H ASP A 126 4.328 -13.183 2.345 1.00 0.00 H new ATOM 0 HA ASP A 126 4.359 -13.697 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 126 5.528 -15.757 4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 126 4.044 -15.583 3.665 1.00 0.00 H new ATOM 1854 N VAL A 127 6.566 -11.979 3.931 1.00 0.00 N ATOM 1855 CA VAL A 127 7.800 -11.247 4.189 1.00 0.00 C ATOM 1856 C VAL A 127 7.791 -10.624 5.579 1.00 0.00 C ATOM 1857 O VAL A 127 8.780 -10.698 6.309 1.00 0.00 O ATOM 1858 CB VAL A 127 7.995 -10.140 3.136 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.149 -9.230 3.528 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.240 -10.764 1.770 1.00 0.00 C ATOM 0 H VAL A 127 5.943 -11.530 3.260 1.00 0.00 H new ATOM 0 HA VAL A 127 8.624 -11.958 4.130 1.00 0.00 H new ATOM 0 HB VAL A 127 7.090 -9.535 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.273 -8.454 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.937 -8.768 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.066 -9.815 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.377 -9.976 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.135 -11.385 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.384 -11.378 1.492 1.00 0.00 H new ATOM 1870 N VAL A 128 6.669 -10.012 5.941 1.00 0.00 N ATOM 1871 CA VAL A 128 6.514 -9.413 7.261 1.00 0.00 C ATOM 1872 C VAL A 128 6.793 -10.428 8.363 1.00 0.00 C ATOM 1873 O VAL A 128 7.276 -10.074 9.438 1.00 0.00 O ATOM 1874 CB VAL A 128 5.088 -8.855 7.430 1.00 0.00 C ATOM 1875 CG1 VAL A 128 4.864 -8.394 8.863 1.00 0.00 C ATOM 1876 CG2 VAL A 128 4.860 -7.712 6.453 1.00 0.00 C ATOM 0 H VAL A 128 5.852 -9.918 5.337 1.00 0.00 H new ATOM 0 HA VAL A 128 7.237 -8.601 7.344 1.00 0.00 H new ATOM 0 HB VAL A 128 4.370 -9.646 7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.852 -8.003 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.997 -9.237 9.541 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.582 -7.612 9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.850 -7.322 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.582 -6.918 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.985 -8.075 5.433 1.00 0.00 H new ATOM 1886 N ARG A 129 6.487 -11.691 8.087 1.00 0.00 N ATOM 1887 CA ARG A 129 6.733 -12.765 9.043 1.00 0.00 C ATOM 1888 C ARG A 129 8.222 -12.927 9.317 1.00 0.00 C ATOM 1889 O ARG A 129 8.623 -13.314 10.415 1.00 0.00 O ATOM 1890 CB ARG A 129 6.169 -14.080 8.527 1.00 0.00 C ATOM 1891 CG ARG A 129 4.651 -14.142 8.456 1.00 0.00 C ATOM 1892 CD ARG A 129 4.182 -15.394 7.809 1.00 0.00 C ATOM 1893 NE ARG A 129 2.733 -15.433 7.693 1.00 0.00 N ATOM 1894 CZ ARG A 129 2.045 -16.374 7.017 1.00 0.00 C ATOM 1895 NH1 ARG A 129 2.687 -17.342 6.402 1.00 0.00 N ATOM 1896 NH2 ARG A 129 0.726 -16.323 6.971 1.00 0.00 N ATOM 0 H ARG A 129 6.068 -11.997 7.209 1.00 0.00 H new ATOM 0 HA ARG A 129 6.232 -12.497 9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 129 6.573 -14.266 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 129 6.521 -14.887 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 129 4.237 -14.075 9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 129 4.277 -13.283 7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 129 4.628 -15.480 6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 129 4.523 -16.252 8.388 1.00 0.00 H new ATOM 0 HE ARG A 129 2.200 -14.697 8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.706 -17.381 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.167 -18.054 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.228 -15.571 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.206 -17.035 6.459 1.00 0.00 H new ATOM 1910 N THR A 130 9.040 -12.628 8.312 1.00 0.00 N ATOM 1911 CA THR A 130 10.484 -12.800 8.422 1.00 0.00 C ATOM 1912 C THR A 130 11.166 -11.493 8.805 1.00 0.00 C ATOM 1913 O THR A 130 12.288 -11.492 9.310 1.00 0.00 O ATOM 1914 CB THR A 130 11.080 -13.330 7.105 1.00 0.00 C ATOM 1915 OG1 THR A 130 10.870 -12.369 6.061 1.00 0.00 O ATOM 1916 CG2 THR A 130 10.428 -14.647 6.715 1.00 0.00 C ATOM 0 H THR A 130 8.727 -12.265 7.412 1.00 0.00 H new ATOM 0 HA THR A 130 10.664 -13.532 9.209 1.00 0.00 H new ATOM 0 HB THR A 130 12.148 -13.494 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.174 -11.735 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.862 -15.006 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 130 10.597 -15.383 7.501 1.00 0.00 H new ATOM 0 HG23 THR A 130 9.356 -14.497 6.583 1.00 0.00 H new ATOM 1924 N MET A 131 10.482 -10.381 8.561 1.00 0.00 N ATOM 1925 CA MET A 131 10.978 -9.072 8.967 1.00 0.00 C ATOM 1926 C MET A 131 10.912 -8.902 10.479 1.00 0.00 C ATOM 1927 O MET A 131 10.047 -9.477 11.141 1.00 0.00 O ATOM 1928 CB MET A 131 10.183 -7.968 8.273 1.00 0.00 C ATOM 1929 CG MET A 131 10.369 -7.914 6.762 1.00 0.00 C ATOM 1930 SD MET A 131 12.056 -7.493 6.283 1.00 0.00 S ATOM 1931 CE MET A 131 12.671 -9.095 5.770 1.00 0.00 C ATOM 0 H MET A 131 9.581 -10.360 8.083 1.00 0.00 H new ATOM 0 HA MET A 131 12.023 -8.998 8.667 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.124 -8.107 8.492 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.473 -7.007 8.697 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.104 -8.880 6.333 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.682 -7.179 6.342 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.757 -9.057 5.683 1.00 0.00 H new ATOM 0 HE2 MET A 131 12.392 -9.846 6.509 1.00 0.00 H new ATOM 0 HE3 MET A 131 12.239 -9.359 4.805 1.00 0.00 H new ATOM 1941 N LYS A 132 11.831 -8.111 11.022 1.00 0.00 N ATOM 1942 CA LYS A 132 11.842 -7.815 12.449 1.00 0.00 C ATOM 1943 C LYS A 132 11.327 -6.407 12.724 1.00 0.00 C ATOM 1944 O LYS A 132 11.280 -5.567 11.825 1.00 0.00 O ATOM 1945 CB LYS A 132 13.251 -7.980 13.020 1.00 0.00 C ATOM 1946 CG LYS A 132 13.812 -9.391 12.912 1.00 0.00 C ATOM 1947 CD LYS A 132 15.202 -9.483 13.524 1.00 0.00 C ATOM 1948 CE LYS A 132 15.748 -10.901 13.454 1.00 0.00 C ATOM 1949 NZ LYS A 132 17.099 -11.009 14.067 1.00 0.00 N ATOM 0 H LYS A 132 12.579 -7.663 10.494 1.00 0.00 H new ATOM 0 HA LYS A 132 11.176 -8.524 12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.922 -7.295 12.502 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.241 -7.685 14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.144 -10.090 13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 132 13.853 -9.689 11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.877 -8.806 13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.166 -9.157 14.563 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.063 -11.579 13.964 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.796 -11.220 12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 17.434 -11.991 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 17.759 -10.382 13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.050 -10.729 15.068 1.00 0.00 H new ATOM 1963 N ASN A 133 10.941 -6.157 13.969 1.00 0.00 N ATOM 1964 CA ASN A 133 10.446 -4.845 14.369 1.00 0.00 C ATOM 1965 C ASN A 133 11.539 -3.788 14.266 1.00 0.00 C ATOM 1966 O ASN A 133 12.672 -4.011 14.693 1.00 0.00 O ATOM 1967 CB ASN A 133 9.880 -4.893 15.777 1.00 0.00 C ATOM 1968 CG ASN A 133 9.006 -3.711 16.089 1.00 0.00 C ATOM 1969 OD1 ASN A 133 8.411 -3.108 15.188 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.917 -3.367 17.349 1.00 0.00 N ATOM 0 H ASN A 133 10.961 -6.846 14.720 1.00 0.00 H new ATOM 0 HA ASN A 133 9.645 -4.567 13.684 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.303 -5.810 15.902 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.701 -4.933 16.493 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.339 -2.572 17.621 1.00 0.00 H new ATOM 0 HD22 ASN A 133 9.426 -3.894 18.059 1.00 0.00 H new ATOM 1977 N GLY A 134 11.192 -2.639 13.698 1.00 0.00 N ATOM 1978 CA GLY A 134 12.124 -1.522 13.595 1.00 0.00 C ATOM 1979 C GLY A 134 12.961 -1.620 12.327 1.00 0.00 C ATOM 1980 O GLY A 134 13.934 -0.884 12.156 1.00 0.00 O ATOM 0 H GLY A 134 10.270 -2.456 13.301 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.572 -0.582 13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.779 -1.509 14.466 1.00 0.00 H new ATOM 1984 N ASP A 135 12.578 -2.530 11.439 1.00 0.00 N ATOM 1985 CA ASP A 135 13.235 -2.663 10.145 1.00 0.00 C ATOM 1986 C ASP A 135 12.988 -1.439 9.273 1.00 0.00 C ATOM 1987 O ASP A 135 11.931 -0.813 9.349 1.00 0.00 O ATOM 1988 CB ASP A 135 12.745 -3.920 9.419 1.00 0.00 C ATOM 1989 CG ASP A 135 13.434 -5.189 9.903 1.00 0.00 C ATOM 1990 OD1 ASP A 135 14.284 -5.092 10.756 1.00 0.00 O ATOM 1991 OD2 ASP A 135 13.104 -6.243 9.413 1.00 0.00 O ATOM 0 H ASP A 135 11.814 -3.188 11.592 1.00 0.00 H new ATOM 0 HA ASP A 135 14.306 -2.749 10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.669 -4.020 9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 135 12.916 -3.805 8.349 1.00 0.00 H new ATOM 1996 N VAL A 136 13.971 -1.101 8.444 1.00 0.00 N ATOM 1997 CA VAL A 136 13.903 0.104 7.626 1.00 0.00 C ATOM 1998 C VAL A 136 13.775 -0.242 6.148 1.00 0.00 C ATOM 1999 O VAL A 136 14.355 -1.220 5.677 1.00 0.00 O ATOM 2000 CB VAL A 136 15.158 0.969 7.843 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.111 2.207 6.959 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.274 1.357 9.308 1.00 0.00 C ATOM 0 H VAL A 136 14.825 -1.646 8.321 1.00 0.00 H new ATOM 0 HA VAL A 136 13.019 0.663 7.931 1.00 0.00 H new ATOM 0 HB VAL A 136 16.038 0.389 7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.006 2.807 7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.066 1.905 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.228 2.797 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.164 1.969 9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 136 14.392 1.924 9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.349 0.457 9.918 1.00 0.00 H new ATOM 2012 N MET A 137 13.015 0.568 5.420 1.00 0.00 N ATOM 2013 CA MET A 137 12.793 0.337 3.997 1.00 0.00 C ATOM 2014 C MET A 137 14.038 0.670 3.185 1.00 0.00 C ATOM 2015 O MET A 137 14.812 1.554 3.551 1.00 0.00 O ATOM 2016 CB MET A 137 11.602 1.160 3.508 1.00 0.00 C ATOM 2017 CG MET A 137 10.284 0.830 4.196 1.00 0.00 C ATOM 2018 SD MET A 137 8.944 1.926 3.692 1.00 0.00 S ATOM 2019 CE MET A 137 7.680 1.485 4.882 1.00 0.00 C ATOM 0 H MET A 137 12.542 1.391 5.792 1.00 0.00 H new ATOM 0 HA MET A 137 12.573 -0.721 3.855 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.821 2.217 3.657 1.00 0.00 H new ATOM 0 HB3 MET A 137 11.486 1.007 2.435 1.00 0.00 H new ATOM 0 HG2 MET A 137 10.009 -0.201 3.971 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.416 0.896 5.276 1.00 0.00 H new ATOM 0 HE1 MET A 137 6.889 2.235 4.867 1.00 0.00 H new ATOM 0 HE2 MET A 137 7.262 0.512 4.625 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.119 1.440 5.879 1.00 0.00 H new ATOM 2029 N LYS A 138 14.224 -0.043 2.079 1.00 0.00 N ATOM 2030 CA LYS A 138 15.374 0.179 1.209 1.00 0.00 C ATOM 2031 C LYS A 138 14.975 0.954 -0.041 1.00 0.00 C ATOM 2032 O LYS A 138 15.614 1.943 -0.399 1.00 0.00 O ATOM 2033 CB LYS A 138 16.016 -1.152 0.820 1.00 0.00 C ATOM 2034 CG LYS A 138 17.241 -1.022 -0.077 1.00 0.00 C ATOM 2035 CD LYS A 138 17.854 -2.382 -0.377 1.00 0.00 C ATOM 2036 CE LYS A 138 19.102 -2.248 -1.237 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.759 -3.563 -1.471 1.00 0.00 N ATOM 0 H LYS A 138 13.593 -0.780 1.764 1.00 0.00 H new ATOM 0 HA LYS A 138 16.102 0.773 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.301 -1.683 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.272 -1.765 0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.961 -0.533 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.982 -0.385 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.106 -2.884 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.123 -3.008 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.837 -1.799 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.806 -1.572 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.605 -3.428 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 20.035 -3.980 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.096 -4.201 -1.957 1.00 0.00 H new ATOM 2051 N GLU A 139 13.916 0.499 -0.701 1.00 0.00 N ATOM 2052 CA GLU A 139 13.463 1.115 -1.942 1.00 0.00 C ATOM 2053 C GLU A 139 11.957 0.969 -2.113 1.00 0.00 C ATOM 2054 O GLU A 139 11.449 -0.135 -2.308 1.00 0.00 O ATOM 2055 CB GLU A 139 14.185 0.492 -3.140 1.00 0.00 C ATOM 2056 CG GLU A 139 13.754 1.047 -4.491 1.00 0.00 C ATOM 2057 CD GLU A 139 14.548 0.481 -5.635 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.536 -0.168 -5.385 1.00 0.00 O ATOM 2059 OE2 GLU A 139 14.169 0.700 -6.761 1.00 0.00 O ATOM 0 H GLU A 139 13.354 -0.296 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 139 13.700 2.178 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 139 15.258 0.646 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.015 -0.585 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 139 12.697 0.831 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.860 2.132 -4.483 1.00 0.00 H new ATOM 2066 N VAL A 140 11.247 2.089 -2.037 1.00 0.00 N ATOM 2067 CA VAL A 140 9.797 2.091 -2.195 1.00 0.00 C ATOM 2068 C VAL A 140 9.375 2.924 -3.397 1.00 0.00 C ATOM 2069 O VAL A 140 9.761 4.086 -3.526 1.00 0.00 O ATOM 2070 CB VAL A 140 9.122 2.646 -0.927 1.00 0.00 C ATOM 2071 CG1 VAL A 140 7.609 2.652 -1.089 1.00 0.00 C ATOM 2072 CG2 VAL A 140 9.532 1.818 0.282 1.00 0.00 C ATOM 0 H VAL A 140 11.653 3.009 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 140 9.480 1.061 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 140 9.449 3.674 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.148 3.047 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.337 3.278 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.257 1.635 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 140 9.051 2.216 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 140 9.225 0.783 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 140 10.614 1.862 0.403 1.00 0.00 H new ATOM 2082 N LYS A 141 8.581 2.324 -4.278 1.00 0.00 N ATOM 2083 CA LYS A 141 8.143 2.994 -5.496 1.00 0.00 C ATOM 2084 C LYS A 141 6.722 2.590 -5.868 1.00 0.00 C ATOM 2085 O LYS A 141 6.288 1.475 -5.578 1.00 0.00 O ATOM 2086 CB LYS A 141 9.096 2.684 -6.651 1.00 0.00 C ATOM 2087 CG LYS A 141 10.470 3.330 -6.523 1.00 0.00 C ATOM 2088 CD LYS A 141 11.382 2.921 -7.671 1.00 0.00 C ATOM 2089 CE LYS A 141 12.722 3.637 -7.596 1.00 0.00 C ATOM 2090 NZ LYS A 141 13.756 2.972 -8.434 1.00 0.00 N ATOM 0 H LYS A 141 8.228 1.373 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 141 8.153 4.067 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.221 1.604 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.638 3.015 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.364 4.415 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.923 3.041 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.542 1.843 -7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.898 3.149 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.600 4.670 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.059 3.668 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.579 3.600 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 14.051 2.083 -7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.362 2.767 -9.374 1.00 0.00 H new ATOM 2104 N VAL A 142 6.001 3.502 -6.511 1.00 0.00 N ATOM 2105 CA VAL A 142 4.632 3.237 -6.935 1.00 0.00 C ATOM 2106 C VAL A 142 4.430 3.595 -8.401 1.00 0.00 C ATOM 2107 O VAL A 142 4.943 4.607 -8.879 1.00 0.00 O ATOM 2108 CB VAL A 142 3.640 4.039 -6.071 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.212 3.793 -6.535 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.804 3.661 -4.607 1.00 0.00 C ATOM 0 H VAL A 142 6.343 4.433 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 142 4.447 2.170 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 142 3.853 5.102 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.524 4.367 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.109 4.104 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.979 2.732 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.099 4.232 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.609 2.596 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.821 3.884 -4.285 1.00 0.00 H new ATOM 2120 N PHE A 143 3.680 2.759 -9.112 1.00 0.00 N ATOM 2121 CA PHE A 143 3.495 2.929 -10.548 1.00 0.00 C ATOM 2122 C PHE A 143 2.137 2.403 -10.994 1.00 0.00 C ATOM 2123 O PHE A 143 1.479 1.657 -10.267 1.00 0.00 O ATOM 2124 CB PHE A 143 4.604 2.210 -11.318 1.00 0.00 C ATOM 2125 CG PHE A 143 4.612 0.721 -11.121 1.00 0.00 C ATOM 2126 CD1 PHE A 143 5.226 0.157 -10.013 1.00 0.00 C ATOM 2127 CD2 PHE A 143 4.005 -0.118 -12.043 1.00 0.00 C ATOM 2128 CE1 PHE A 143 5.235 -1.212 -9.830 1.00 0.00 C ATOM 2129 CE2 PHE A 143 4.012 -1.489 -11.862 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.627 -2.036 -10.756 1.00 0.00 C ATOM 0 H PHE A 143 3.190 1.957 -8.716 1.00 0.00 H new ATOM 0 HA PHE A 143 3.540 3.996 -10.764 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.494 2.426 -12.381 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.568 2.613 -11.009 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.703 0.796 -9.284 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.522 0.304 -12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.718 -1.638 -8.963 1.00 0.00 H new ATOM 0 HE2 PHE A 143 3.535 -2.132 -12.587 1.00 0.00 H new ATOM 0 HZ PHE A 143 4.633 -3.107 -10.614 1.00 0.00 H new ATOM 2140 N ASP A 144 1.721 2.795 -12.193 1.00 0.00 N ATOM 2141 CA ASP A 144 0.468 2.316 -12.764 1.00 0.00 C ATOM 2142 C ASP A 144 0.714 1.213 -13.786 1.00 0.00 C ATOM 2143 O ASP A 144 1.305 1.452 -14.840 1.00 0.00 O ATOM 2144 CB ASP A 144 -0.298 3.468 -13.422 1.00 0.00 C ATOM 2145 CG ASP A 144 -1.630 3.030 -14.016 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.907 1.855 -14.001 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -2.357 3.876 -14.478 1.00 0.00 O ATOM 0 H ASP A 144 2.234 3.444 -12.789 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.130 1.906 -11.950 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -0.475 4.249 -12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.318 3.906 -14.207 1.00 0.00 H new ATOM 2152 N GLU A 145 0.258 0.007 -13.468 1.00 0.00 N ATOM 2153 CA GLU A 145 0.426 -1.134 -14.361 1.00 0.00 C ATOM 2154 C GLU A 145 -0.752 -1.262 -15.319 1.00 0.00 C ATOM 2155 O GLU A 145 -1.903 -1.363 -14.894 1.00 0.00 O ATOM 2156 CB GLU A 145 0.580 -2.425 -13.553 1.00 0.00 C ATOM 2157 CG GLU A 145 0.811 -3.671 -14.395 1.00 0.00 C ATOM 2158 CD GLU A 145 0.904 -4.925 -13.573 1.00 0.00 C ATOM 2159 OE1 GLU A 145 1.789 -5.014 -12.757 1.00 0.00 O ATOM 2160 OE2 GLU A 145 0.087 -5.797 -13.760 1.00 0.00 O ATOM 0 H GLU A 145 -0.231 -0.206 -12.599 1.00 0.00 H new ATOM 0 HA GLU A 145 1.330 -0.968 -14.948 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.415 -2.309 -12.862 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.316 -2.570 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.002 -3.773 -15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.730 -3.550 -14.969 1.00 0.00 H new ATOM 2167 N PRO A 146 -0.458 -1.258 -16.615 1.00 0.00 N ATOM 2168 CA PRO A 146 -1.485 -1.428 -17.635 1.00 0.00 C ATOM 2169 C PRO A 146 -2.344 -2.653 -17.353 1.00 0.00 C ATOM 2170 O PRO A 146 -3.329 -2.552 -17.213 1.00 0.00 O ATOM 2171 CB PRO A 146 -0.669 -1.592 -18.921 1.00 0.00 C ATOM 2172 CG PRO A 146 0.576 -0.813 -18.667 1.00 0.00 C ATOM 2173 CD PRO A 146 0.887 -1.069 -17.217 1.00 0.00 C ATOM 2174 OXT PRO A 146 -1.839 -3.741 -17.300 1.00 0.00 O ATOM 0 HA PRO A 146 -2.189 -0.597 -17.683 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -0.449 -2.640 -19.122 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -1.209 -1.208 -19.787 1.00 0.00 H new ATOM 0 HG2 PRO A 146 1.390 -1.143 -19.312 1.00 0.00 H new ATOM 0 HG3 PRO A 146 0.427 0.249 -18.860 1.00 0.00 H new ATOM 0 HD2 PRO A 146 1.514 -1.951 -17.088 1.00 0.00 H new ATOM 0 HD3 PRO A 146 1.418 -0.232 -16.764 1.00 0.00 H new TER 2182 PRO A 146