USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 65 GLN : amide:sc= -1.19 K(o=-3.5,f=-4.9!) USER MOD Set 1.2: A 108 HIS : no HE2:sc= -2.27 K(o=-3.5,f=-8.2) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 CYS SG : rot 160:sc= -0.246 USER MOD Single : A 82 ASN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= -0.406 (180deg=-1.32!) USER MOD Single : A 90 GLN : amide:sc= -3.96! C(o=-4!,f=-2.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.82) USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= -4.02! (180deg=-6.23!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.385 (180deg=-1.28!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 161:sc= -0.155 (180deg=-0.657) USER MOD Single : A 117 ASN : amide:sc= -0.92 K(o=-0.92,f=-0.093) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 121 SER OG : rot -59:sc= 0.015 USER MOD Single : A 124 ASN : amide:sc= -2.03! K(o=-2!,f=-2.6) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -19.104 -0.464 13.056 1.00 0.00 N ATOM 2 CA SER A 61 -18.075 -1.466 13.420 1.00 0.00 C ATOM 3 C SER A 61 -17.610 -2.262 12.204 1.00 0.00 C ATOM 4 O SER A 61 -17.615 -3.495 12.214 1.00 0.00 O ATOM 5 CB SER A 61 -18.606 -2.415 14.492 1.00 0.00 C ATOM 6 OG SER A 61 -17.638 -2.615 15.507 1.00 0.00 O ATOM 0 HA SER A 61 -17.217 -0.923 13.816 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.518 -2.006 14.927 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.869 -3.371 14.040 1.00 0.00 H new ATOM 0 HG SER A 61 -17.997 -3.224 16.186 1.00 0.00 H new ATOM 14 N ASN A 62 -17.213 -1.550 11.157 1.00 0.00 N ATOM 15 CA ASN A 62 -16.710 -2.187 9.951 1.00 0.00 C ATOM 16 C ASN A 62 -15.376 -1.574 9.555 1.00 0.00 C ATOM 17 O ASN A 62 -15.324 -0.570 8.844 1.00 0.00 O ATOM 18 CB ASN A 62 -17.708 -2.073 8.797 1.00 0.00 C ATOM 19 CG ASN A 62 -18.145 -3.431 8.279 1.00 0.00 C ATOM 20 OD1 ASN A 62 -17.504 -4.014 7.403 1.00 0.00 O ATOM 21 ND2 ASN A 62 -19.242 -3.944 8.821 1.00 0.00 N ATOM 0 H ASN A 62 -17.230 -0.531 11.121 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.570 -3.247 10.165 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.583 -1.514 9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.257 -1.504 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.584 -4.855 8.515 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.743 -3.428 9.544 1.00 0.00 H new ATOM 28 N ALA A 63 -14.301 -2.163 10.060 1.00 0.00 N ATOM 29 CA ALA A 63 -12.955 -1.698 9.760 1.00 0.00 C ATOM 30 C ALA A 63 -11.948 -2.843 9.847 1.00 0.00 C ATOM 31 O ALA A 63 -10.744 -2.613 9.951 1.00 0.00 O ATOM 32 CB ALA A 63 -12.562 -0.574 10.707 1.00 0.00 C ATOM 0 H ALA A 63 -14.336 -2.969 10.684 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.947 -1.317 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.553 -0.236 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.259 0.257 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.592 -0.937 11.734 1.00 0.00 H new ATOM 38 N GLY A 64 -12.446 -4.077 9.795 1.00 0.00 N ATOM 39 CA GLY A 64 -11.573 -5.233 9.873 1.00 0.00 C ATOM 40 C GLY A 64 -11.410 -5.908 8.530 1.00 0.00 C ATOM 41 O GLY A 64 -11.330 -7.133 8.445 1.00 0.00 O ATOM 0 H GLY A 64 -13.438 -4.295 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.596 -4.926 10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.978 -5.946 10.591 1.00 0.00 H new ATOM 45 N GLN A 65 -11.365 -5.101 7.479 1.00 0.00 N ATOM 46 CA GLN A 65 -11.219 -5.615 6.126 1.00 0.00 C ATOM 47 C GLN A 65 -9.788 -6.058 5.863 1.00 0.00 C ATOM 48 O GLN A 65 -8.906 -5.879 6.704 1.00 0.00 O ATOM 49 CB GLN A 65 -11.640 -4.547 5.117 1.00 0.00 C ATOM 50 CG GLN A 65 -13.004 -3.952 5.420 1.00 0.00 C ATOM 51 CD GLN A 65 -13.907 -3.911 4.205 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.732 -4.681 3.260 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.890 -3.019 4.229 1.00 0.00 N ATOM 0 H GLN A 65 -11.428 -4.085 7.539 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.866 -6.486 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.896 -3.751 5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.653 -4.983 4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.484 -4.536 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.877 -2.941 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.998 -2.401 5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.537 -2.952 3.444 1.00 0.00 H new ATOM 62 N LEU A 66 -9.564 -6.643 4.694 1.00 0.00 N ATOM 63 CA LEU A 66 -8.240 -7.116 4.321 1.00 0.00 C ATOM 64 C LEU A 66 -7.620 -6.212 3.262 1.00 0.00 C ATOM 65 O LEU A 66 -8.326 -5.613 2.451 1.00 0.00 O ATOM 66 CB LEU A 66 -8.317 -8.553 3.801 1.00 0.00 C ATOM 67 CG LEU A 66 -9.056 -9.532 4.716 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.024 -10.936 4.131 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.449 -9.520 6.111 1.00 0.00 C ATOM 0 H LEU A 66 -10.283 -6.801 3.988 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.608 -7.092 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.809 -8.546 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.303 -8.921 3.643 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.096 -9.215 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.554 -11.619 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.505 -10.934 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.989 -11.263 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.987 -10.222 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.400 -9.812 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.524 -8.517 6.532 1.00 0.00 H new ATOM 81 N CYS A 67 -6.295 -6.119 3.278 1.00 0.00 N ATOM 82 CA CYS A 67 -5.568 -5.296 2.316 1.00 0.00 C ATOM 83 C CYS A 67 -6.060 -5.566 0.893 1.00 0.00 C ATOM 84 O CYS A 67 -6.104 -6.714 0.450 1.00 0.00 O ATOM 85 CB CYS A 67 -4.067 -5.578 2.439 1.00 0.00 C ATOM 86 SG CYS A 67 -3.052 -4.875 1.120 1.00 0.00 S ATOM 0 H CYS A 67 -5.700 -6.605 3.949 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.750 -4.244 2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.716 -5.189 3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.915 -6.657 2.459 1.00 0.00 H new ATOM 91 N CYS A 68 -6.429 -4.500 0.183 1.00 0.00 N ATOM 92 CA CYS A 68 -6.940 -4.624 -1.181 1.00 0.00 C ATOM 93 C CYS A 68 -5.829 -4.536 -2.224 1.00 0.00 C ATOM 94 O CYS A 68 -6.044 -4.041 -3.331 1.00 0.00 O ATOM 95 CB CYS A 68 -7.997 -3.552 -1.449 1.00 0.00 C ATOM 96 SG CYS A 68 -9.613 -3.924 -0.724 1.00 0.00 S ATOM 0 H CYS A 68 -6.383 -3.542 0.530 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.392 -5.612 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.643 -2.599 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.112 -3.429 -2.526 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.305 -2.828 -0.620 1.00 0.00 H new ATOM 102 N LEU A 69 -4.646 -5.018 -1.868 1.00 0.00 N ATOM 103 CA LEU A 69 -3.517 -5.024 -2.786 1.00 0.00 C ATOM 104 C LEU A 69 -3.168 -6.460 -3.149 1.00 0.00 C ATOM 105 O LEU A 69 -3.585 -7.397 -2.468 1.00 0.00 O ATOM 106 CB LEU A 69 -2.302 -4.332 -2.164 1.00 0.00 C ATOM 107 CG LEU A 69 -2.522 -2.877 -1.749 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.292 -2.336 -1.039 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.861 -2.020 -2.959 1.00 0.00 C ATOM 0 H LEU A 69 -4.444 -5.410 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.796 -4.475 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.990 -4.900 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.479 -4.369 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.364 -2.840 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.465 -1.299 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.094 -2.933 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.433 -2.388 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.014 -0.988 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.041 -2.062 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.771 -2.395 -3.427 1.00 0.00 H new ATOM 121 N ARG A 70 -2.408 -6.635 -4.220 1.00 0.00 N ATOM 122 CA ARG A 70 -2.020 -7.967 -4.660 1.00 0.00 C ATOM 123 C ARG A 70 -0.522 -8.042 -4.919 1.00 0.00 C ATOM 124 O ARG A 70 0.083 -7.084 -5.393 1.00 0.00 O ATOM 125 CB ARG A 70 -2.783 -8.349 -5.928 1.00 0.00 C ATOM 126 CG ARG A 70 -4.293 -8.303 -5.764 1.00 0.00 C ATOM 127 CD ARG A 70 -5.012 -8.786 -7.014 1.00 0.00 C ATOM 128 NE ARG A 70 -4.666 -10.167 -7.343 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.466 -11.000 -8.006 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.663 -10.599 -8.418 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.066 -12.237 -8.259 1.00 0.00 N ATOM 0 H ARG A 70 -2.049 -5.875 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.269 -8.669 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.492 -7.675 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.489 -9.354 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.585 -8.921 -4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.603 -7.283 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.089 -8.707 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.757 -8.138 -7.853 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.754 -10.515 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.975 -9.647 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.270 -11.243 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.147 -12.550 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.677 -12.877 -8.767 1.00 0.00 H new ATOM 145 N GLU A 71 0.072 -9.185 -4.599 1.00 0.00 N ATOM 146 CA GLU A 71 1.498 -9.388 -4.813 1.00 0.00 C ATOM 147 C GLU A 71 1.735 -10.638 -5.650 1.00 0.00 C ATOM 148 O GLU A 71 1.526 -11.758 -5.182 1.00 0.00 O ATOM 149 CB GLU A 71 2.236 -9.498 -3.479 1.00 0.00 C ATOM 150 CG GLU A 71 3.746 -9.590 -3.633 1.00 0.00 C ATOM 151 CD GLU A 71 4.468 -9.656 -2.302 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.305 -8.720 -1.492 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.202 -10.640 -2.072 1.00 0.00 O ATOM 0 H GLU A 71 -0.412 -9.985 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 71 1.889 -8.525 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.993 -8.631 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.878 -10.378 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.994 -10.474 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.103 -8.726 -4.193 1.00 0.00 H new ATOM 160 N ASP A 72 2.163 -10.438 -6.893 1.00 0.00 N ATOM 161 CA ASP A 72 2.419 -11.548 -7.803 1.00 0.00 C ATOM 162 C ASP A 72 1.158 -12.381 -7.997 1.00 0.00 C ATOM 163 O ASP A 72 1.204 -13.611 -7.989 1.00 0.00 O ATOM 164 CB ASP A 72 3.554 -12.424 -7.270 1.00 0.00 C ATOM 165 CG ASP A 72 4.880 -11.689 -7.242 1.00 0.00 C ATOM 166 OD1 ASP A 72 4.872 -10.460 -7.019 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.925 -12.343 -7.442 1.00 0.00 O ATOM 0 H ASP A 72 2.340 -9.516 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 72 2.717 -11.139 -8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.307 -12.763 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.647 -13.314 -7.893 1.00 0.00 H new ATOM 172 N GLY A 73 0.030 -11.698 -8.170 1.00 0.00 N ATOM 173 CA GLY A 73 -1.233 -12.384 -8.361 1.00 0.00 C ATOM 174 C GLY A 73 -1.781 -12.989 -7.079 1.00 0.00 C ATOM 175 O GLY A 73 -2.850 -13.601 -7.088 1.00 0.00 O ATOM 0 H GLY A 73 -0.030 -10.680 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.963 -11.683 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.103 -13.173 -9.102 1.00 0.00 H new ATOM 179 N GLU A 74 -1.059 -12.817 -5.972 1.00 0.00 N ATOM 180 CA GLU A 74 -1.489 -13.360 -4.689 1.00 0.00 C ATOM 181 C GLU A 74 -1.847 -12.247 -3.711 1.00 0.00 C ATOM 182 O GLU A 74 -1.053 -11.338 -3.466 1.00 0.00 O ATOM 183 CB GLU A 74 -0.397 -14.254 -4.098 1.00 0.00 C ATOM 184 CG GLU A 74 -0.708 -15.736 -4.209 1.00 0.00 C ATOM 185 CD GLU A 74 -2.037 -16.094 -3.573 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.077 -16.264 -2.337 1.00 0.00 O ATOM 187 OE2 GLU A 74 -3.040 -16.200 -4.311 1.00 0.00 O ATOM 0 H GLU A 74 -0.176 -12.307 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.383 -13.959 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.545 -14.049 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.256 -13.997 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.721 -16.025 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.087 -16.309 -3.731 1.00 0.00 H new ATOM 194 N ARG A 75 -3.048 -12.338 -3.150 1.00 0.00 N ATOM 195 CA ARG A 75 -3.544 -11.342 -2.204 1.00 0.00 C ATOM 196 C ARG A 75 -2.595 -11.159 -1.025 1.00 0.00 C ATOM 197 O ARG A 75 -1.784 -12.033 -0.719 1.00 0.00 O ATOM 198 CB ARG A 75 -4.915 -11.757 -1.675 1.00 0.00 C ATOM 199 CG ARG A 75 -5.897 -10.603 -1.525 1.00 0.00 C ATOM 200 CD ARG A 75 -6.328 -10.034 -2.870 1.00 0.00 C ATOM 201 NE ARG A 75 -6.865 -11.066 -3.763 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.896 -10.894 -4.591 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.520 -9.725 -4.678 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.301 -11.905 -5.348 1.00 0.00 N ATOM 0 H ARG A 75 -3.702 -13.098 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.617 -10.396 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.343 -12.500 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.788 -12.241 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.776 -10.945 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.439 -9.814 -0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.084 -9.264 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.476 -9.550 -3.348 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.417 -11.982 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.212 -8.939 -4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.307 -9.613 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.825 -12.805 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.089 -11.782 -5.984 1.00 0.00 H new ATOM 218 N CYS A 76 -2.721 -10.017 -0.360 1.00 0.00 N ATOM 219 CA CYS A 76 -1.899 -9.707 0.800 1.00 0.00 C ATOM 220 C CYS A 76 -2.310 -10.582 1.983 1.00 0.00 C ATOM 221 O CYS A 76 -1.483 -11.277 2.572 1.00 0.00 O ATOM 222 CB CYS A 76 -2.046 -8.228 1.158 1.00 0.00 C ATOM 223 SG CYS A 76 -0.863 -7.634 2.388 1.00 0.00 S ATOM 0 H CYS A 76 -3.389 -9.287 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.855 -9.911 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.936 -7.635 0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.056 -8.056 1.531 1.00 0.00 H new ATOM 228 N GLY A 77 -3.596 -10.545 2.322 1.00 0.00 N ATOM 229 CA GLY A 77 -4.099 -11.351 3.422 1.00 0.00 C ATOM 230 C GLY A 77 -4.096 -10.616 4.748 1.00 0.00 C ATOM 231 O GLY A 77 -4.952 -10.859 5.600 1.00 0.00 O ATOM 0 H GLY A 77 -4.299 -9.972 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.115 -11.672 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.492 -12.252 3.511 1.00 0.00 H new ATOM 235 N ARG A 78 -3.132 -9.721 4.931 1.00 0.00 N ATOM 236 CA ARG A 78 -3.029 -8.958 6.169 1.00 0.00 C ATOM 237 C ARG A 78 -4.195 -7.981 6.297 1.00 0.00 C ATOM 238 O ARG A 78 -4.657 -7.417 5.306 1.00 0.00 O ATOM 239 CB ARG A 78 -1.702 -8.201 6.221 1.00 0.00 C ATOM 240 CG ARG A 78 -1.305 -7.775 7.625 1.00 0.00 C ATOM 241 CD ARG A 78 -0.221 -6.708 7.597 1.00 0.00 C ATOM 242 NE ARG A 78 0.189 -6.305 8.940 1.00 0.00 N ATOM 243 CZ ARG A 78 -0.589 -5.634 9.786 1.00 0.00 C ATOM 244 NH1 ARG A 78 -1.817 -5.278 9.430 1.00 0.00 N ATOM 245 NH2 ARG A 78 -0.135 -5.313 10.989 1.00 0.00 N ATOM 0 H ARG A 78 -2.413 -9.506 4.240 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.067 -9.657 7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.916 -8.831 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.771 -7.317 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.180 -7.393 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.950 -8.642 8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.644 -7.085 7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.585 -5.836 7.053 1.00 0.00 H new ATOM 0 HE ARG A 78 1.129 -6.553 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.169 -5.519 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.408 -4.764 10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.810 -5.580 11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.730 -4.799 11.638 1.00 0.00 H new ATOM 259 N ALA A 79 -4.663 -7.785 7.525 1.00 0.00 N ATOM 260 CA ALA A 79 -5.782 -6.883 7.787 1.00 0.00 C ATOM 261 C ALA A 79 -5.500 -5.474 7.277 1.00 0.00 C ATOM 262 O ALA A 79 -4.346 -5.073 7.131 1.00 0.00 O ATOM 263 CB ALA A 79 -6.088 -6.848 9.277 1.00 0.00 C ATOM 0 H ALA A 79 -4.285 -8.239 8.357 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.649 -7.264 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.924 -6.173 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.349 -7.850 9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.211 -6.496 9.820 1.00 0.00 H new ATOM 269 N ALA A 80 -6.568 -4.727 7.004 1.00 0.00 N ATOM 270 CA ALA A 80 -6.441 -3.356 6.524 1.00 0.00 C ATOM 271 C ALA A 80 -6.014 -2.437 7.663 1.00 0.00 C ATOM 272 O ALA A 80 -6.304 -2.708 8.829 1.00 0.00 O ATOM 273 CB ALA A 80 -7.753 -2.881 5.916 1.00 0.00 C ATOM 0 H ALA A 80 -7.530 -5.050 7.108 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.675 -3.327 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.640 -1.856 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.021 -3.526 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.539 -2.921 6.670 1.00 0.00 H new ATOM 279 N GLY A 81 -5.333 -1.347 7.324 1.00 0.00 N ATOM 280 CA GLY A 81 -4.864 -0.426 8.344 1.00 0.00 C ATOM 281 C GLY A 81 -5.613 0.893 8.368 1.00 0.00 C ATOM 282 O GLY A 81 -6.806 0.952 8.069 1.00 0.00 O ATOM 0 H GLY A 81 -5.098 -1.086 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.955 -0.903 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.804 -0.229 8.183 1.00 0.00 H new ATOM 286 N ASN A 82 -4.897 1.955 8.727 1.00 0.00 N ATOM 287 CA ASN A 82 -5.480 3.288 8.821 1.00 0.00 C ATOM 288 C ASN A 82 -5.049 4.184 7.657 1.00 0.00 C ATOM 289 O ASN A 82 -5.346 5.379 7.647 1.00 0.00 O ATOM 290 CB ASN A 82 -5.062 3.932 10.144 1.00 0.00 C ATOM 291 CG ASN A 82 -6.117 4.866 10.700 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.983 4.452 11.469 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.046 6.135 10.317 1.00 0.00 N ATOM 0 H ASN A 82 -3.905 1.916 8.959 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.564 3.184 8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.854 3.150 10.874 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.134 4.485 9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.727 6.811 10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.310 6.434 9.677 1.00 0.00 H new ATOM 300 N ALA A 83 -4.354 3.612 6.677 1.00 0.00 N ATOM 301 CA ALA A 83 -3.890 4.383 5.531 1.00 0.00 C ATOM 302 C ALA A 83 -4.827 4.229 4.341 1.00 0.00 C ATOM 303 O ALA A 83 -5.820 3.503 4.403 1.00 0.00 O ATOM 304 CB ALA A 83 -2.480 3.964 5.148 1.00 0.00 C ATOM 0 H ALA A 83 -4.102 2.624 6.655 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.883 5.435 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.147 4.549 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.808 4.137 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.473 2.905 4.890 1.00 0.00 H new ATOM 310 N SER A 84 -4.501 4.920 3.257 1.00 0.00 N ATOM 311 CA SER A 84 -5.302 4.869 2.043 1.00 0.00 C ATOM 312 C SER A 84 -4.407 4.793 0.811 1.00 0.00 C ATOM 313 O SER A 84 -3.227 5.137 0.868 1.00 0.00 O ATOM 314 CB SER A 84 -6.210 6.097 1.960 1.00 0.00 C ATOM 315 OG SER A 84 -5.515 7.273 2.339 1.00 0.00 O ATOM 0 H SER A 84 -3.683 5.525 3.195 1.00 0.00 H new ATOM 0 HA SER A 84 -5.921 3.972 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.587 6.206 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.075 5.958 2.608 1.00 0.00 H new ATOM 0 HG SER A 84 -6.117 8.044 2.276 1.00 0.00 H new ATOM 321 N PHE A 85 -4.971 4.329 -0.295 1.00 0.00 N ATOM 322 CA PHE A 85 -4.227 4.220 -1.544 1.00 0.00 C ATOM 323 C PHE A 85 -4.470 5.457 -2.399 1.00 0.00 C ATOM 324 O PHE A 85 -5.611 5.792 -2.713 1.00 0.00 O ATOM 325 CB PHE A 85 -4.644 2.960 -2.298 1.00 0.00 C ATOM 326 CG PHE A 85 -3.850 2.700 -3.545 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.587 2.131 -3.478 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.379 3.001 -4.789 1.00 0.00 C ATOM 329 CE1 PHE A 85 -1.868 1.873 -4.630 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.669 2.739 -5.942 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.414 2.175 -5.864 1.00 0.00 C ATOM 0 H PHE A 85 -5.942 4.022 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.163 4.151 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.546 2.102 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.699 3.040 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.161 1.887 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.360 3.447 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.882 1.437 -4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.096 2.976 -6.905 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.857 1.969 -6.766 1.00 0.00 H new ATOM 341 N SER A 86 -3.391 6.132 -2.770 1.00 0.00 N ATOM 342 CA SER A 86 -3.492 7.348 -3.563 1.00 0.00 C ATOM 343 C SER A 86 -2.599 7.284 -4.805 1.00 0.00 C ATOM 344 O SER A 86 -2.259 6.200 -5.281 1.00 0.00 O ATOM 345 CB SER A 86 -3.111 8.545 -2.684 1.00 0.00 C ATOM 346 OG SER A 86 -1.738 8.504 -2.339 1.00 0.00 O ATOM 0 H SER A 86 -2.437 5.858 -2.535 1.00 0.00 H new ATOM 0 HA SER A 86 -4.518 7.458 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.329 9.473 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.718 8.544 -1.778 1.00 0.00 H new ATOM 0 HG SER A 86 -1.518 9.278 -1.780 1.00 0.00 H new ATOM 352 N LYS A 87 -2.273 8.453 -5.351 1.00 0.00 N ATOM 353 CA LYS A 87 -1.417 8.560 -6.531 1.00 0.00 C ATOM 354 C LYS A 87 0.056 8.423 -6.142 1.00 0.00 C ATOM 355 O LYS A 87 0.846 7.781 -6.835 1.00 0.00 O ATOM 356 CB LYS A 87 -1.622 9.903 -7.247 1.00 0.00 C ATOM 357 CG LYS A 87 -2.978 10.569 -7.019 1.00 0.00 C ATOM 358 CD LYS A 87 -4.068 9.949 -7.871 1.00 0.00 C ATOM 359 CE LYS A 87 -3.987 10.444 -9.303 1.00 0.00 C ATOM 360 NZ LYS A 87 -3.777 11.917 -9.369 1.00 0.00 N ATOM 0 H LYS A 87 -2.594 9.351 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.694 7.751 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.840 10.590 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.488 9.748 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.250 10.486 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.902 11.632 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.976 8.863 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.044 10.193 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.170 9.937 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.905 10.184 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.213 12.291 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.214 12.367 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.757 12.122 -9.377 1.00 0.00 H new ATOM 374 N ARG A 88 0.407 9.064 -5.030 1.00 0.00 N ATOM 375 CA ARG A 88 1.773 9.063 -4.514 1.00 0.00 C ATOM 376 C ARG A 88 2.318 7.647 -4.379 1.00 0.00 C ATOM 377 O ARG A 88 3.422 7.348 -4.835 1.00 0.00 O ATOM 378 CB ARG A 88 1.802 9.763 -3.155 1.00 0.00 C ATOM 379 CG ARG A 88 3.154 9.719 -2.459 1.00 0.00 C ATOM 380 CD ARG A 88 3.019 9.255 -1.015 1.00 0.00 C ATOM 381 NE ARG A 88 1.792 9.747 -0.388 1.00 0.00 N ATOM 382 CZ ARG A 88 1.684 10.925 0.223 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.721 11.749 0.285 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.528 11.282 0.769 1.00 0.00 N ATOM 0 H ARG A 88 -0.249 9.599 -4.461 1.00 0.00 H new ATOM 0 HA ARG A 88 2.407 9.597 -5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.509 10.804 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.057 9.303 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.821 9.047 -2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.610 10.709 -2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.030 8.166 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.880 9.599 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 88 0.966 9.149 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.610 11.482 -0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.629 12.650 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.275 10.654 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.442 12.184 1.238 1.00 0.00 H new ATOM 398 N ILE A 89 1.540 6.782 -3.744 1.00 0.00 N ATOM 399 CA ILE A 89 1.941 5.399 -3.549 1.00 0.00 C ATOM 400 C ILE A 89 2.074 4.683 -4.889 1.00 0.00 C ATOM 401 O ILE A 89 2.955 3.842 -5.068 1.00 0.00 O ATOM 402 CB ILE A 89 0.938 4.663 -2.640 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.920 5.323 -1.260 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.289 3.187 -2.524 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.145 4.783 -0.336 1.00 0.00 C ATOM 0 H ILE A 89 0.626 7.015 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 89 2.915 5.394 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.055 4.733 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.895 5.189 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.770 6.396 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.566 2.691 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.266 2.729 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.287 3.083 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.093 5.301 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.127 4.941 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.015 3.716 -0.180 1.00 0.00 H new ATOM 417 N GLN A 90 1.201 5.027 -5.831 1.00 0.00 N ATOM 418 CA GLN A 90 1.242 4.432 -7.161 1.00 0.00 C ATOM 419 C GLN A 90 2.552 4.808 -7.845 1.00 0.00 C ATOM 420 O GLN A 90 3.219 3.966 -8.448 1.00 0.00 O ATOM 421 CB GLN A 90 0.041 4.904 -7.988 1.00 0.00 C ATOM 422 CG GLN A 90 -0.084 4.231 -9.350 1.00 0.00 C ATOM 423 CD GLN A 90 1.020 4.605 -10.328 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.446 3.778 -11.135 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.475 5.855 -10.288 1.00 0.00 N ATOM 0 H GLN A 90 0.458 5.713 -5.698 1.00 0.00 H new ATOM 0 HA GLN A 90 1.189 3.347 -7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.871 4.721 -7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.115 5.982 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.082 3.150 -9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.047 4.494 -9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.099 6.513 -9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.200 6.155 -10.940 1.00 0.00 H new ATOM 434 N LYS A 91 2.915 6.085 -7.737 1.00 0.00 N ATOM 435 CA LYS A 91 4.156 6.584 -8.315 1.00 0.00 C ATOM 436 C LYS A 91 5.344 5.881 -7.671 1.00 0.00 C ATOM 437 O LYS A 91 6.206 5.332 -8.357 1.00 0.00 O ATOM 438 CB LYS A 91 4.265 8.098 -8.103 1.00 0.00 C ATOM 439 CG LYS A 91 5.633 8.671 -8.443 1.00 0.00 C ATOM 440 CD LYS A 91 5.863 8.703 -9.944 1.00 0.00 C ATOM 441 CE LYS A 91 7.210 8.106 -10.316 1.00 0.00 C ATOM 442 NZ LYS A 91 7.309 7.839 -11.777 1.00 0.00 N ATOM 0 H LYS A 91 2.363 6.793 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 91 4.157 6.379 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.512 8.596 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.034 8.327 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.717 9.680 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.409 8.071 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.069 8.151 -10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.810 9.732 -10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.006 8.788 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.361 7.178 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.241 7.432 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.565 7.169 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.190 8.729 -12.301 1.00 0.00 H new ATOM 456 N SER A 92 5.378 5.905 -6.340 1.00 0.00 N ATOM 457 CA SER A 92 6.449 5.265 -5.593 1.00 0.00 C ATOM 458 C SER A 92 6.610 3.818 -6.047 1.00 0.00 C ATOM 459 O SER A 92 7.722 3.340 -6.245 1.00 0.00 O ATOM 460 CB SER A 92 6.156 5.324 -4.091 1.00 0.00 C ATOM 461 OG SER A 92 7.310 5.012 -3.330 1.00 0.00 O ATOM 0 H SER A 92 4.674 6.362 -5.760 1.00 0.00 H new ATOM 0 HA SER A 92 7.380 5.798 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.801 6.320 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.356 4.625 -3.846 1.00 0.00 H new ATOM 0 HG SER A 92 7.095 5.059 -2.375 1.00 0.00 H new ATOM 467 N ILE A 93 5.484 3.132 -6.219 1.00 0.00 N ATOM 468 CA ILE A 93 5.493 1.747 -6.671 1.00 0.00 C ATOM 469 C ILE A 93 6.137 1.647 -8.054 1.00 0.00 C ATOM 470 O ILE A 93 7.019 0.820 -8.284 1.00 0.00 O ATOM 471 CB ILE A 93 4.052 1.169 -6.715 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.532 0.943 -5.294 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.984 -0.133 -7.510 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.055 0.618 -5.236 1.00 0.00 C ATOM 0 H ILE A 93 4.553 3.514 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 93 6.078 1.162 -5.961 1.00 0.00 H new ATOM 0 HB ILE A 93 3.421 1.899 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.093 0.129 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.723 1.836 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.959 -0.503 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.310 0.049 -8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.635 -0.876 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.755 0.470 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.484 1.442 -5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.860 -0.292 -5.803 1.00 0.00 H new ATOM 486 N SER A 94 5.686 2.501 -8.966 1.00 0.00 N ATOM 487 CA SER A 94 6.201 2.512 -10.330 1.00 0.00 C ATOM 488 C SER A 94 7.719 2.670 -10.345 1.00 0.00 C ATOM 489 O SER A 94 8.420 1.932 -11.037 1.00 0.00 O ATOM 490 CB SER A 94 5.544 3.636 -11.131 1.00 0.00 C ATOM 491 OG SER A 94 5.528 3.336 -12.515 1.00 0.00 O ATOM 0 H SER A 94 4.963 3.197 -8.784 1.00 0.00 H new ATOM 0 HA SER A 94 5.958 1.555 -10.792 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.524 3.790 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.083 4.568 -10.964 1.00 0.00 H new ATOM 0 HG SER A 94 5.101 4.070 -13.004 1.00 0.00 H new ATOM 497 N GLN A 95 8.225 3.637 -9.584 1.00 0.00 N ATOM 498 CA GLN A 95 9.663 3.876 -9.513 1.00 0.00 C ATOM 499 C GLN A 95 10.359 2.675 -8.881 1.00 0.00 C ATOM 500 O GLN A 95 11.456 2.292 -9.286 1.00 0.00 O ATOM 501 CB GLN A 95 9.956 5.144 -8.710 1.00 0.00 C ATOM 502 CG GLN A 95 11.209 5.870 -9.140 1.00 0.00 C ATOM 503 CD GLN A 95 12.455 5.011 -9.057 1.00 0.00 C ATOM 504 OE1 GLN A 95 13.031 4.837 -7.983 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.894 4.489 -10.196 1.00 0.00 N ATOM 0 H GLN A 95 7.663 4.265 -9.010 1.00 0.00 H new ATOM 0 HA GLN A 95 10.046 4.014 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.107 5.822 -8.799 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.045 4.881 -7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.085 6.220 -10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.342 6.753 -8.515 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.386 4.658 -11.064 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.740 3.919 -10.203 1.00 0.00 H new ATOM 514 N LYS A 96 9.708 2.085 -7.882 1.00 0.00 N ATOM 515 CA LYS A 96 10.245 0.910 -7.208 1.00 0.00 C ATOM 516 C LYS A 96 10.221 -0.287 -8.149 1.00 0.00 C ATOM 517 O LYS A 96 11.048 -1.194 -8.042 1.00 0.00 O ATOM 518 CB LYS A 96 9.427 0.589 -5.952 1.00 0.00 C ATOM 519 CG LYS A 96 9.619 1.585 -4.822 1.00 0.00 C ATOM 520 CD LYS A 96 8.681 1.304 -3.657 1.00 0.00 C ATOM 521 CE LYS A 96 9.076 0.038 -2.913 1.00 0.00 C ATOM 522 NZ LYS A 96 10.552 -0.150 -2.880 1.00 0.00 N ATOM 0 H LYS A 96 8.808 2.403 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 96 11.273 1.122 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.370 0.555 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.699 -0.405 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.652 1.547 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.445 2.595 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.691 2.149 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.660 1.206 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.693 0.082 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.611 -0.824 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.823 -0.614 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.844 -0.743 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.021 0.776 -2.945 1.00 0.00 H new ATOM 536 N LYS A 97 9.268 -0.273 -9.075 1.00 0.00 N ATOM 537 CA LYS A 97 9.112 -1.358 -10.031 1.00 0.00 C ATOM 538 C LYS A 97 8.830 -2.660 -9.293 1.00 0.00 C ATOM 539 O LYS A 97 9.711 -3.506 -9.136 1.00 0.00 O ATOM 540 CB LYS A 97 10.364 -1.497 -10.901 1.00 0.00 C ATOM 541 CG LYS A 97 10.068 -1.544 -12.393 1.00 0.00 C ATOM 542 CD LYS A 97 10.422 -0.233 -13.078 1.00 0.00 C ATOM 543 CE LYS A 97 11.450 -0.442 -14.180 1.00 0.00 C ATOM 544 NZ LYS A 97 12.797 -0.768 -13.634 1.00 0.00 N ATOM 0 H LYS A 97 8.591 0.482 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 97 8.270 -1.131 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.032 -0.660 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.895 -2.405 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.631 -2.357 -12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.011 -1.762 -12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.521 0.214 -13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.813 0.470 -12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.120 -1.248 -14.835 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.515 0.459 -14.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.466 -0.902 -14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.125 0.012 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.742 -1.642 -13.073 1.00 0.00 H new ATOM 558 N VAL A 98 7.594 -2.804 -8.827 1.00 0.00 N ATOM 559 CA VAL A 98 7.182 -3.991 -8.091 1.00 0.00 C ATOM 560 C VAL A 98 5.822 -4.488 -8.568 1.00 0.00 C ATOM 561 O VAL A 98 5.078 -3.756 -9.220 1.00 0.00 O ATOM 562 CB VAL A 98 7.116 -3.707 -6.578 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.501 -3.390 -6.033 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.153 -2.567 -6.291 1.00 0.00 C ATOM 0 H VAL A 98 6.858 -2.109 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 98 7.929 -4.762 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 98 6.747 -4.601 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.435 -3.192 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.163 -4.239 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.899 -2.511 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.119 -2.381 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.491 -1.667 -6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.157 -2.834 -6.644 1.00 0.00 H new ATOM 574 N LYS A 99 5.498 -5.736 -8.239 1.00 0.00 N ATOM 575 CA LYS A 99 4.227 -6.324 -8.647 1.00 0.00 C ATOM 576 C LYS A 99 3.140 -6.085 -7.607 1.00 0.00 C ATOM 577 O LYS A 99 2.722 -7.009 -6.909 1.00 0.00 O ATOM 578 CB LYS A 99 4.375 -7.825 -8.887 1.00 0.00 C ATOM 579 CG LYS A 99 5.480 -8.190 -9.861 1.00 0.00 C ATOM 580 CD LYS A 99 5.402 -9.658 -10.248 1.00 0.00 C ATOM 581 CE LYS A 99 6.742 -10.185 -10.729 1.00 0.00 C ATOM 582 NZ LYS A 99 7.834 -9.897 -9.758 1.00 0.00 N ATOM 0 H LYS A 99 6.096 -6.357 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 99 3.933 -5.836 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.568 -8.317 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.430 -8.217 -9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.402 -7.570 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.450 -7.980 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.068 -10.243 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.657 -9.788 -11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.673 -11.261 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.984 -9.735 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.620 -10.561 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.172 -8.923 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.474 -10.006 -8.788 1.00 0.00 H new ATOM 596 N ILE A 100 2.690 -4.842 -7.501 1.00 0.00 N ATOM 597 CA ILE A 100 1.637 -4.492 -6.559 1.00 0.00 C ATOM 598 C ILE A 100 0.646 -3.535 -7.206 1.00 0.00 C ATOM 599 O ILE A 100 0.891 -2.332 -7.294 1.00 0.00 O ATOM 600 CB ILE A 100 2.202 -3.862 -5.266 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.115 -4.857 -4.548 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.071 -3.423 -4.342 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.601 -4.369 -3.200 1.00 0.00 C ATOM 0 H ILE A 100 3.038 -4.060 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 100 1.128 -5.416 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 100 2.785 -2.982 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.580 -5.797 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.977 -5.069 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.490 -2.982 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.451 -2.685 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.462 -4.287 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.243 -5.126 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.165 -3.445 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.746 -4.185 -2.550 1.00 0.00 H new ATOM 615 N GLU A 101 -0.469 -4.083 -7.672 1.00 0.00 N ATOM 616 CA GLU A 101 -1.502 -3.287 -8.316 1.00 0.00 C ATOM 617 C GLU A 101 -2.732 -3.183 -7.428 1.00 0.00 C ATOM 618 O GLU A 101 -2.922 -3.985 -6.513 1.00 0.00 O ATOM 619 CB GLU A 101 -1.885 -3.903 -9.660 1.00 0.00 C ATOM 620 CG GLU A 101 -2.220 -5.381 -9.572 1.00 0.00 C ATOM 621 CD GLU A 101 -3.249 -5.807 -10.599 1.00 0.00 C ATOM 622 OE1 GLU A 101 -3.356 -5.135 -11.646 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.952 -6.810 -10.353 1.00 0.00 O ATOM 0 H GLU A 101 -0.680 -5.079 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.105 -2.285 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.743 -3.367 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.062 -3.766 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.310 -5.965 -9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.594 -5.606 -8.573 1.00 0.00 H new ATOM 630 N LEU A 102 -3.570 -2.194 -7.704 1.00 0.00 N ATOM 631 CA LEU A 102 -4.777 -1.990 -6.923 1.00 0.00 C ATOM 632 C LEU A 102 -5.872 -2.971 -7.317 1.00 0.00 C ATOM 633 O LEU A 102 -6.157 -3.166 -8.499 1.00 0.00 O ATOM 634 CB LEU A 102 -5.303 -0.563 -7.087 1.00 0.00 C ATOM 635 CG LEU A 102 -6.666 -0.321 -6.433 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.523 0.393 -5.107 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.583 0.446 -7.356 1.00 0.00 C ATOM 0 H LEU A 102 -3.435 -1.523 -8.461 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.509 -2.161 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.579 0.131 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.376 -0.334 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.114 -1.296 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.509 0.549 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.918 -0.212 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.039 1.357 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.544 0.604 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.135 1.410 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.733 -0.122 -8.274 1.00 0.00 H new ATOM 649 N ASP A 103 -6.491 -3.574 -6.311 1.00 0.00 N ATOM 650 CA ASP A 103 -7.590 -4.493 -6.539 1.00 0.00 C ATOM 651 C ASP A 103 -8.769 -3.697 -7.074 1.00 0.00 C ATOM 652 O ASP A 103 -9.098 -2.640 -6.538 1.00 0.00 O ATOM 653 CB ASP A 103 -7.980 -5.193 -5.240 1.00 0.00 C ATOM 654 CG ASP A 103 -9.110 -6.187 -5.429 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.159 -6.838 -6.494 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.944 -6.320 -4.508 1.00 0.00 O ATOM 0 H ASP A 103 -6.248 -3.441 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.291 -5.257 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.110 -5.710 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.278 -4.446 -4.504 1.00 0.00 H new ATOM 661 N LYS A 104 -9.400 -4.191 -8.124 1.00 0.00 N ATOM 662 CA LYS A 104 -10.521 -3.483 -8.724 1.00 0.00 C ATOM 663 C LYS A 104 -11.863 -4.086 -8.316 1.00 0.00 C ATOM 664 O LYS A 104 -12.916 -3.500 -8.569 1.00 0.00 O ATOM 665 CB LYS A 104 -10.368 -3.479 -10.245 1.00 0.00 C ATOM 666 CG LYS A 104 -8.926 -3.272 -10.688 1.00 0.00 C ATOM 667 CD LYS A 104 -8.818 -2.252 -11.808 1.00 0.00 C ATOM 668 CE LYS A 104 -9.117 -2.873 -13.161 1.00 0.00 C ATOM 669 NZ LYS A 104 -8.997 -1.881 -14.263 1.00 0.00 N ATOM 0 H LYS A 104 -9.159 -5.072 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.511 -2.457 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.735 -4.424 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.991 -2.690 -10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.329 -2.942 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.509 -4.222 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.512 -1.432 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.815 -1.825 -11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.431 -3.701 -13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.124 -3.290 -13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.209 -2.343 -15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.670 -1.104 -14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.029 -1.502 -14.285 1.00 0.00 H new ATOM 683 N SER A 105 -11.827 -5.251 -7.674 1.00 0.00 N ATOM 684 CA SER A 105 -13.047 -5.911 -7.231 1.00 0.00 C ATOM 685 C SER A 105 -13.381 -5.517 -5.790 1.00 0.00 C ATOM 686 O SER A 105 -14.128 -6.216 -5.104 1.00 0.00 O ATOM 687 CB SER A 105 -12.887 -7.429 -7.339 1.00 0.00 C ATOM 688 OG SER A 105 -14.140 -8.065 -7.518 1.00 0.00 O ATOM 0 H SER A 105 -10.968 -5.754 -7.451 1.00 0.00 H new ATOM 0 HA SER A 105 -13.868 -5.592 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.231 -7.670 -8.176 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.407 -7.812 -6.438 1.00 0.00 H new ATOM 0 HG SER A 105 -14.008 -9.034 -7.586 1.00 0.00 H new ATOM 694 N ALA A 106 -12.833 -4.386 -5.342 1.00 0.00 N ATOM 695 CA ALA A 106 -13.061 -3.904 -3.983 1.00 0.00 C ATOM 696 C ALA A 106 -13.993 -2.696 -3.965 1.00 0.00 C ATOM 697 O ALA A 106 -14.607 -2.355 -4.976 1.00 0.00 O ATOM 698 CB ALA A 106 -11.734 -3.556 -3.326 1.00 0.00 C ATOM 0 H ALA A 106 -12.227 -3.787 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.544 -4.702 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.913 -3.197 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.102 -4.443 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.235 -2.778 -3.904 1.00 0.00 H new ATOM 704 N ARG A 107 -14.087 -2.049 -2.804 1.00 0.00 N ATOM 705 CA ARG A 107 -14.948 -0.881 -2.641 1.00 0.00 C ATOM 706 C ARG A 107 -14.170 0.305 -2.079 1.00 0.00 C ATOM 707 O ARG A 107 -13.915 1.286 -2.780 1.00 0.00 O ATOM 708 CB ARG A 107 -16.112 -1.214 -1.704 1.00 0.00 C ATOM 709 CG ARG A 107 -16.883 -2.459 -2.104 1.00 0.00 C ATOM 710 CD ARG A 107 -17.385 -3.216 -0.885 1.00 0.00 C ATOM 711 NE ARG A 107 -18.149 -2.361 0.020 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.410 -2.002 -0.196 1.00 0.00 C ATOM 713 NH1 ARG A 107 -20.031 -2.392 -1.301 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.048 -1.249 0.688 1.00 0.00 N ATOM 0 H ARG A 107 -13.576 -2.315 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.332 -0.609 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.726 -1.346 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.797 -0.367 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.728 -2.179 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.243 -3.109 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.009 -4.049 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.537 -3.642 -0.350 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.689 -2.021 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.541 -2.968 -1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.999 -2.116 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.571 -0.944 1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.016 -0.975 0.520 1.00 0.00 H new ATOM 728 N HIS A 108 -13.793 0.202 -0.811 1.00 0.00 N ATOM 729 CA HIS A 108 -13.062 1.264 -0.132 1.00 0.00 C ATOM 730 C HIS A 108 -11.603 1.308 -0.575 1.00 0.00 C ATOM 731 O HIS A 108 -11.204 0.623 -1.517 1.00 0.00 O ATOM 732 CB HIS A 108 -13.138 1.054 1.382 1.00 0.00 C ATOM 733 CG HIS A 108 -12.505 -0.226 1.838 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.143 -0.409 1.881 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.052 -1.390 2.262 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.874 -1.630 2.310 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.016 -2.246 2.549 1.00 0.00 N ATOM 0 H HIS A 108 -13.983 -0.613 -0.228 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.523 2.216 -0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.650 1.890 1.882 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.183 1.064 1.691 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -10.447 0.290 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.106 -1.605 2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.888 -2.051 2.442 1.00 0.00 H new ATOM 746 N LEU A 109 -10.819 2.134 0.109 1.00 0.00 N ATOM 747 CA LEU A 109 -9.398 2.272 -0.184 1.00 0.00 C ATOM 748 C LEU A 109 -8.606 2.352 1.117 1.00 0.00 C ATOM 749 O LEU A 109 -8.245 3.436 1.574 1.00 0.00 O ATOM 750 CB LEU A 109 -9.138 3.512 -1.039 1.00 0.00 C ATOM 751 CG LEU A 109 -9.633 3.419 -2.483 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.320 4.702 -3.236 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.009 2.222 -3.185 1.00 0.00 C ATOM 0 H LEU A 109 -11.147 2.722 0.875 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.073 1.397 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.614 4.369 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.066 3.708 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.714 3.283 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.679 4.619 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.814 5.541 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.243 4.867 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.373 2.172 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.924 2.328 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.282 1.308 -2.658 1.00 0.00 H new ATOM 765 N TYR A 110 -8.348 1.193 1.706 1.00 0.00 N ATOM 766 CA TYR A 110 -7.611 1.106 2.958 1.00 0.00 C ATOM 767 C TYR A 110 -6.633 -0.053 2.901 1.00 0.00 C ATOM 768 O TYR A 110 -7.035 -1.213 2.797 1.00 0.00 O ATOM 769 CB TYR A 110 -8.566 0.918 4.141 1.00 0.00 C ATOM 770 CG TYR A 110 -9.273 2.183 4.575 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.469 2.572 3.984 1.00 0.00 C ATOM 772 CD2 TYR A 110 -8.748 2.986 5.582 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.120 3.726 4.382 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.394 4.140 5.985 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.578 4.505 5.382 1.00 0.00 C ATOM 776 OH TYR A 110 -11.224 5.653 5.781 1.00 0.00 O ATOM 0 H TYR A 110 -8.642 0.291 1.332 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.064 2.038 3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.313 0.171 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.005 0.520 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.897 1.964 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -7.820 2.703 6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.048 4.015 3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -8.973 4.752 6.769 1.00 0.00 H new ATOM 0 HH TYR A 110 -10.711 6.085 6.495 1.00 0.00 H new ATOM 786 N ILE A 111 -5.351 0.262 2.958 1.00 0.00 N ATOM 787 CA ILE A 111 -4.320 -0.757 2.906 1.00 0.00 C ATOM 788 C ILE A 111 -3.808 -1.086 4.298 1.00 0.00 C ATOM 789 O ILE A 111 -4.067 -0.359 5.258 1.00 0.00 O ATOM 790 CB ILE A 111 -3.138 -0.315 2.027 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.481 0.936 2.612 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.607 -0.058 0.603 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.290 1.421 1.816 1.00 0.00 C ATOM 0 H ILE A 111 -5.000 1.216 3.040 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.774 -1.646 2.468 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.398 -1.115 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.221 1.734 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.164 0.726 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.760 0.254 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.035 -0.972 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.362 0.728 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.874 2.311 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.531 0.639 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.605 1.663 0.801 1.00 0.00 H new ATOM 805 N CYS A 112 -3.083 -2.187 4.402 1.00 0.00 N ATOM 806 CA CYS A 112 -2.529 -2.613 5.673 1.00 0.00 C ATOM 807 C CYS A 112 -1.359 -1.725 6.077 1.00 0.00 C ATOM 808 O CYS A 112 -0.819 -0.980 5.259 1.00 0.00 O ATOM 809 CB CYS A 112 -2.075 -4.068 5.587 1.00 0.00 C ATOM 810 SG CYS A 112 -0.990 -4.419 4.184 1.00 0.00 S ATOM 0 H CYS A 112 -2.865 -2.802 3.618 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.306 -2.526 6.432 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.556 -4.331 6.509 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.954 -4.709 5.522 1.00 0.00 H new ATOM 815 N ASP A 113 -0.976 -1.807 7.344 1.00 0.00 N ATOM 816 CA ASP A 113 0.132 -1.019 7.864 1.00 0.00 C ATOM 817 C ASP A 113 1.437 -1.458 7.210 1.00 0.00 C ATOM 818 O ASP A 113 2.293 -0.638 6.878 1.00 0.00 O ATOM 819 CB ASP A 113 0.235 -1.186 9.384 1.00 0.00 C ATOM 820 CG ASP A 113 -1.103 -1.035 10.090 1.00 0.00 C ATOM 821 OD1 ASP A 113 -2.135 -1.440 9.515 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.118 -0.516 11.225 1.00 0.00 O ATOM 0 H ASP A 113 -1.419 -2.415 8.033 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.049 0.031 7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.649 -2.169 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.933 -0.448 9.779 1.00 0.00 H new ATOM 827 N TYR A 114 1.564 -2.766 7.026 1.00 0.00 N ATOM 828 CA TYR A 114 2.747 -3.359 6.417 1.00 0.00 C ATOM 829 C TYR A 114 3.110 -2.662 5.108 1.00 0.00 C ATOM 830 O TYR A 114 4.226 -2.170 4.945 1.00 0.00 O ATOM 831 CB TYR A 114 2.498 -4.849 6.169 1.00 0.00 C ATOM 832 CG TYR A 114 3.656 -5.575 5.524 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.824 -5.829 6.232 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.576 -6.017 4.210 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.880 -6.502 5.647 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.627 -6.690 3.618 1.00 0.00 C ATOM 837 CZ TYR A 114 5.776 -6.931 4.340 1.00 0.00 C ATOM 838 OH TYR A 114 6.824 -7.604 3.757 1.00 0.00 O ATOM 0 H TYR A 114 0.851 -3.444 7.294 1.00 0.00 H new ATOM 0 HA TYR A 114 3.586 -3.234 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.267 -5.330 7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.618 -4.958 5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.908 -5.495 7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.677 -5.831 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.782 -6.691 6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.549 -7.026 2.594 1.00 0.00 H new ATOM 0 HH TYR A 114 6.590 -7.838 2.834 1.00 0.00 H new ATOM 848 N HIS A 115 2.162 -2.621 4.178 1.00 0.00 N ATOM 849 CA HIS A 115 2.395 -1.994 2.881 1.00 0.00 C ATOM 850 C HIS A 115 2.519 -0.477 3.002 1.00 0.00 C ATOM 851 O HIS A 115 3.211 0.156 2.204 1.00 0.00 O ATOM 852 CB HIS A 115 1.277 -2.354 1.901 1.00 0.00 C ATOM 853 CG HIS A 115 1.536 -3.623 1.146 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.536 -4.533 0.906 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.689 -4.076 0.593 1.00 0.00 C ATOM 856 CE1 HIS A 115 1.095 -5.512 0.216 1.00 0.00 C ATOM 857 NE2 HIS A 115 2.399 -5.279 0.002 1.00 0.00 N ATOM 0 H HIS A 115 1.228 -3.013 4.297 1.00 0.00 H new ATOM 0 HA HIS A 115 3.341 -2.378 2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.340 -2.450 2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.148 -1.537 1.191 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.650 -3.584 0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.569 -6.389 -0.132 1.00 0.00 H new ATOM 0 HE2 HIS A 115 3.049 -5.881 -0.503 1.00 0.00 H new ATOM 865 N LYS A 116 1.855 0.109 3.994 1.00 0.00 N ATOM 866 CA LYS A 116 1.922 1.553 4.185 1.00 0.00 C ATOM 867 C LYS A 116 3.347 1.982 4.503 1.00 0.00 C ATOM 868 O LYS A 116 3.916 2.827 3.821 1.00 0.00 O ATOM 869 CB LYS A 116 0.995 2.003 5.316 1.00 0.00 C ATOM 870 CG LYS A 116 0.989 3.512 5.521 1.00 0.00 C ATOM 871 CD LYS A 116 0.526 3.893 6.919 1.00 0.00 C ATOM 872 CE LYS A 116 1.566 3.533 7.970 1.00 0.00 C ATOM 873 NZ LYS A 116 2.916 4.054 7.620 1.00 0.00 N ATOM 0 H LYS A 116 1.272 -0.386 4.669 1.00 0.00 H new ATOM 0 HA LYS A 116 1.599 2.024 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.020 1.668 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.301 1.518 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.991 3.905 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.335 3.976 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.324 4.964 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.411 3.384 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.261 3.937 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.612 2.449 8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.510 4.079 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.355 3.433 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.827 5.015 7.232 1.00 0.00 H new ATOM 887 N ASN A 117 3.922 1.369 5.531 1.00 0.00 N ATOM 888 CA ASN A 117 5.281 1.684 5.956 1.00 0.00 C ATOM 889 C ASN A 117 6.299 1.226 4.916 1.00 0.00 C ATOM 890 O ASN A 117 7.251 1.940 4.601 1.00 0.00 O ATOM 891 CB ASN A 117 5.577 1.004 7.296 1.00 0.00 C ATOM 892 CG ASN A 117 6.843 1.523 7.952 1.00 0.00 C ATOM 893 OD1 ASN A 117 6.788 2.220 8.964 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.993 1.186 7.377 1.00 0.00 N ATOM 0 H ASN A 117 3.465 0.647 6.088 1.00 0.00 H new ATOM 0 HA ASN A 117 5.361 2.765 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.735 1.158 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.668 -0.071 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.876 1.508 7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.993 0.606 6.538 1.00 0.00 H new ATOM 901 N LEU A 118 6.082 0.029 4.389 1.00 0.00 N ATOM 902 CA LEU A 118 6.977 -0.556 3.399 1.00 0.00 C ATOM 903 C LEU A 118 7.108 0.318 2.152 1.00 0.00 C ATOM 904 O LEU A 118 8.214 0.593 1.694 1.00 0.00 O ATOM 905 CB LEU A 118 6.467 -1.949 3.012 1.00 0.00 C ATOM 906 CG LEU A 118 7.481 -2.858 2.310 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.945 -4.279 2.220 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.809 -2.328 0.923 1.00 0.00 C ATOM 0 H LEU A 118 5.286 -0.561 4.633 1.00 0.00 H new ATOM 0 HA LEU A 118 7.968 -0.630 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.120 -2.452 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.601 -1.830 2.360 1.00 0.00 H new ATOM 0 HG LEU A 118 8.398 -2.867 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.677 -4.913 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.760 -4.662 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.014 -4.281 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.531 -2.988 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.899 -2.288 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.233 -1.327 1.007 1.00 0.00 H new ATOM 920 N ILE A 119 5.980 0.770 1.619 1.00 0.00 N ATOM 921 CA ILE A 119 5.975 1.576 0.398 1.00 0.00 C ATOM 922 C ILE A 119 6.314 3.047 0.636 1.00 0.00 C ATOM 923 O ILE A 119 7.030 3.657 -0.158 1.00 0.00 O ATOM 924 CB ILE A 119 4.606 1.475 -0.302 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.320 0.015 -0.635 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.563 2.335 -1.557 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.936 -0.225 -1.199 1.00 0.00 C ATOM 0 H ILE A 119 5.055 0.594 2.011 1.00 0.00 H new ATOM 0 HA ILE A 119 6.760 1.166 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 119 3.836 1.850 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.061 -0.335 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.443 -0.584 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.584 2.242 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.740 3.377 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.334 2.002 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.808 -1.287 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.187 0.093 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.814 0.346 -2.120 1.00 0.00 H new ATOM 939 N GLN A 120 5.808 3.615 1.720 1.00 0.00 N ATOM 940 CA GLN A 120 6.044 5.026 2.018 1.00 0.00 C ATOM 941 C GLN A 120 7.481 5.327 2.424 1.00 0.00 C ATOM 942 O GLN A 120 8.051 6.330 1.994 1.00 0.00 O ATOM 943 CB GLN A 120 5.132 5.499 3.152 1.00 0.00 C ATOM 944 CG GLN A 120 3.790 6.042 2.698 1.00 0.00 C ATOM 945 CD GLN A 120 2.938 6.503 3.865 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.445 6.726 4.965 1.00 0.00 O ATOM 947 NE2 GLN A 120 1.644 6.668 3.627 1.00 0.00 N ATOM 0 H GLN A 120 5.234 3.127 2.407 1.00 0.00 H new ATOM 0 HA GLN A 120 5.829 5.556 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.960 4.666 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.650 6.273 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.949 6.876 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.256 5.271 2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 120 1.267 6.471 2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 120 1.026 6.992 4.371 1.00 0.00 H new ATOM 956 N SER A 121 8.078 4.457 3.230 1.00 0.00 N ATOM 957 CA SER A 121 9.416 4.730 3.755 1.00 0.00 C ATOM 958 C SER A 121 10.554 4.014 3.028 1.00 0.00 C ATOM 959 O SER A 121 11.435 3.443 3.671 1.00 0.00 O ATOM 960 CB SER A 121 9.463 4.391 5.243 1.00 0.00 C ATOM 961 OG SER A 121 10.490 5.116 5.898 1.00 0.00 O ATOM 0 H SER A 121 7.669 3.572 3.531 1.00 0.00 H new ATOM 0 HA SER A 121 9.585 5.793 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 121 8.501 4.621 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.630 3.321 5.371 1.00 0.00 H new ATOM 0 HG SER A 121 11.353 4.906 5.485 1.00 0.00 H new ATOM 967 N VAL A 122 10.554 4.052 1.703 1.00 0.00 N ATOM 968 CA VAL A 122 11.643 3.447 0.938 1.00 0.00 C ATOM 969 C VAL A 122 12.448 4.538 0.232 1.00 0.00 C ATOM 970 O VAL A 122 13.626 4.357 -0.072 1.00 0.00 O ATOM 971 CB VAL A 122 11.142 2.395 -0.079 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.260 1.969 -1.025 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.593 1.185 0.657 1.00 0.00 C ATOM 0 H VAL A 122 9.825 4.488 1.139 1.00 0.00 H new ATOM 0 HA VAL A 122 12.284 2.918 1.643 1.00 0.00 H new ATOM 0 HB VAL A 122 10.348 2.846 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.879 1.229 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.623 2.838 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.078 1.535 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.242 0.448 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.379 0.745 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.764 1.492 1.294 1.00 0.00 H new ATOM 983 N ARG A 123 11.799 5.670 -0.028 1.00 0.00 N ATOM 984 CA ARG A 123 12.458 6.803 -0.663 1.00 0.00 C ATOM 985 C ARG A 123 12.559 7.970 0.318 1.00 0.00 C ATOM 986 O ARG A 123 13.390 8.863 0.151 1.00 0.00 O ATOM 987 CB ARG A 123 11.701 7.235 -1.923 1.00 0.00 C ATOM 988 CG ARG A 123 11.209 6.067 -2.757 1.00 0.00 C ATOM 989 CD ARG A 123 10.936 6.459 -4.201 1.00 0.00 C ATOM 990 NE ARG A 123 10.436 7.826 -4.338 1.00 0.00 N ATOM 991 CZ ARG A 123 10.293 8.432 -5.517 1.00 0.00 C ATOM 992 NH1 ARG A 123 10.582 7.781 -6.635 1.00 0.00 N ATOM 993 NH2 ARG A 123 9.860 9.681 -5.588 1.00 0.00 N ATOM 0 H ARG A 123 10.815 5.825 0.193 1.00 0.00 H new ATOM 0 HA ARG A 123 13.463 6.497 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.849 7.850 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.353 7.860 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.952 5.270 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 123 10.297 5.666 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.854 6.354 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.209 5.768 -4.628 1.00 0.00 H new ATOM 0 HE ARG A 123 10.185 8.340 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.913 6.817 -6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 123 10.473 8.244 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.632 10.191 -4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 123 9.755 10.133 -6.496 1.00 0.00 H new ATOM 1007 N ASN A 124 11.708 7.955 1.348 1.00 0.00 N ATOM 1008 CA ASN A 124 11.704 9.007 2.355 1.00 0.00 C ATOM 1009 C ASN A 124 11.412 10.355 1.709 1.00 0.00 C ATOM 1010 O ASN A 124 12.327 11.080 1.321 1.00 0.00 O ATOM 1011 CB ASN A 124 13.047 9.044 3.086 1.00 0.00 C ATOM 1012 CG ASN A 124 13.014 9.919 4.324 1.00 0.00 C ATOM 1013 OD1 ASN A 124 11.954 10.156 4.904 1.00 0.00 O ATOM 1014 ND2 ASN A 124 14.180 10.396 4.742 1.00 0.00 N ATOM 0 H ASN A 124 11.014 7.223 1.502 1.00 0.00 H new ATOM 0 HA ASN A 124 10.919 8.794 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 124 13.330 8.030 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.816 9.411 2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 124 14.222 10.984 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.034 10.174 4.231 1.00 0.00 H new ATOM 1021 N ARG A 125 10.129 10.685 1.595 1.00 0.00 N ATOM 1022 CA ARG A 125 9.718 11.937 0.974 1.00 0.00 C ATOM 1023 C ARG A 125 8.875 12.792 1.915 1.00 0.00 C ATOM 1024 O ARG A 125 7.880 13.394 1.506 1.00 0.00 O ATOM 1025 CB ARG A 125 8.950 11.650 -0.312 1.00 0.00 C ATOM 1026 CG ARG A 125 9.714 12.042 -1.561 1.00 0.00 C ATOM 1027 CD ARG A 125 9.027 11.524 -2.807 1.00 0.00 C ATOM 1028 NE ARG A 125 9.377 12.310 -3.990 1.00 0.00 N ATOM 1029 CZ ARG A 125 8.634 13.307 -4.478 1.00 0.00 C ATOM 1030 NH1 ARG A 125 7.500 13.667 -3.888 1.00 0.00 N ATOM 1031 NH2 ARG A 125 9.036 13.956 -5.562 1.00 0.00 N ATOM 0 H ARG A 125 9.358 10.103 1.924 1.00 0.00 H new ATOM 0 HA ARG A 125 10.619 12.504 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.713 10.587 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.002 12.187 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 125 9.798 13.127 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 125 10.728 11.646 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 125 9.305 10.482 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.947 11.547 -2.662 1.00 0.00 H new ATOM 0 HE ARG A 125 10.245 12.082 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.185 13.180 -3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.944 14.431 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 125 9.909 13.693 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.472 14.718 -5.939 1.00 0.00 H new ATOM 1045 N ARG A 126 9.282 12.840 3.174 1.00 0.00 N ATOM 1046 CA ARG A 126 8.593 13.640 4.177 1.00 0.00 C ATOM 1047 C ARG A 126 9.615 14.412 5.002 1.00 0.00 C ATOM 1048 O ARG A 126 9.466 15.613 5.232 1.00 0.00 O ATOM 1049 CB ARG A 126 7.727 12.763 5.084 1.00 0.00 C ATOM 1050 CG ARG A 126 6.259 12.725 4.682 1.00 0.00 C ATOM 1051 CD ARG A 126 5.948 11.531 3.794 1.00 0.00 C ATOM 1052 NE ARG A 126 4.899 10.684 4.364 1.00 0.00 N ATOM 1053 CZ ARG A 126 3.598 10.814 4.096 1.00 0.00 C ATOM 1054 NH1 ARG A 126 3.164 11.775 3.289 1.00 0.00 N ATOM 1055 NH2 ARG A 126 2.726 9.982 4.649 1.00 0.00 N ATOM 0 H ARG A 126 10.092 12.331 3.528 1.00 0.00 H new ATOM 0 HA ARG A 126 7.933 14.343 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.122 11.747 5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.804 13.128 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.638 12.684 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.002 13.645 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 126 5.636 11.882 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.853 10.941 3.650 1.00 0.00 H new ATOM 0 HE ARG A 126 5.181 9.946 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.827 12.424 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.167 11.864 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.050 9.246 5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.731 10.078 4.447 1.00 0.00 H new ATOM 1069 N LYS A 127 10.657 13.708 5.440 1.00 0.00 N ATOM 1070 CA LYS A 127 11.727 14.319 6.223 1.00 0.00 C ATOM 1071 C LYS A 127 11.171 15.184 7.348 1.00 0.00 C ATOM 1072 O LYS A 127 9.975 15.163 7.633 1.00 0.00 O ATOM 1073 CB LYS A 127 12.615 15.174 5.309 1.00 0.00 C ATOM 1074 CG LYS A 127 13.736 14.397 4.640 1.00 0.00 C ATOM 1075 CD LYS A 127 13.195 13.390 3.640 1.00 0.00 C ATOM 1076 CE LYS A 127 13.577 13.755 2.215 1.00 0.00 C ATOM 1077 NZ LYS A 127 15.025 13.527 1.950 1.00 0.00 N ATOM 0 H LYS A 127 10.782 12.711 5.265 1.00 0.00 H new ATOM 0 HA LYS A 127 12.316 13.518 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.994 15.632 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 127 13.047 15.986 5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.408 15.089 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.324 13.879 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.580 12.398 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.109 13.340 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.983 13.164 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 127 13.335 14.802 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 15.243 13.788 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 15.592 14.110 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.251 12.523 2.100 1.00 0.00 H new ATOM 1091 N ARG A 128 12.063 15.917 8.003 1.00 0.00 N ATOM 1092 CA ARG A 128 11.676 16.825 9.070 1.00 0.00 C ATOM 1093 C ARG A 128 12.069 18.246 8.686 1.00 0.00 C ATOM 1094 O ARG A 128 13.089 18.766 9.138 1.00 0.00 O ATOM 1095 CB ARG A 128 12.337 16.427 10.392 1.00 0.00 C ATOM 1096 CG ARG A 128 12.091 17.421 11.517 1.00 0.00 C ATOM 1097 CD ARG A 128 10.619 17.491 11.899 1.00 0.00 C ATOM 1098 NE ARG A 128 10.301 16.616 13.024 1.00 0.00 N ATOM 1099 CZ ARG A 128 9.147 16.659 13.686 1.00 0.00 C ATOM 1100 NH1 ARG A 128 8.201 17.512 13.318 1.00 0.00 N ATOM 1101 NH2 ARG A 128 8.939 15.849 14.714 1.00 0.00 N ATOM 0 H ARG A 128 13.065 15.898 7.811 1.00 0.00 H new ATOM 0 HA ARG A 128 10.596 16.771 9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.965 15.448 10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.411 16.325 10.236 1.00 0.00 H new ATOM 0 HG2 ARG A 128 12.679 17.136 12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 128 12.434 18.409 11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.360 18.518 12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 128 10.008 17.213 11.040 1.00 0.00 H new ATOM 0 HE ARG A 128 11.001 15.935 13.318 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.357 18.136 12.527 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.317 17.544 13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.664 15.191 15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.054 15.884 15.220 1.00 0.00 H new ATOM 1115 N LYS A 129 11.253 18.863 7.838 1.00 0.00 N ATOM 1116 CA LYS A 129 11.519 20.219 7.369 1.00 0.00 C ATOM 1117 C LYS A 129 11.035 21.230 8.394 1.00 0.00 C ATOM 1118 O LYS A 129 11.824 21.952 9.003 1.00 0.00 O ATOM 1119 CB LYS A 129 10.814 20.494 6.034 1.00 0.00 C ATOM 1120 CG LYS A 129 10.677 19.288 5.117 1.00 0.00 C ATOM 1121 CD LYS A 129 9.506 19.465 4.164 1.00 0.00 C ATOM 1122 CE LYS A 129 9.046 18.135 3.590 1.00 0.00 C ATOM 1123 NZ LYS A 129 8.129 18.318 2.432 1.00 0.00 N ATOM 0 H LYS A 129 10.402 18.446 7.461 1.00 0.00 H new ATOM 0 HA LYS A 129 12.596 20.314 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 129 9.819 20.889 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.363 21.273 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 129 11.597 19.151 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 129 10.534 18.387 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.678 19.941 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.795 20.132 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 129 9.914 17.555 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.541 17.560 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.838 17.388 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.288 18.850 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.619 18.845 1.681 1.00 0.00 H new ATOM 1137 N GLY A 130 9.722 21.268 8.569 1.00 0.00 N ATOM 1138 CA GLY A 130 9.114 22.181 9.509 1.00 0.00 C ATOM 1139 C GLY A 130 7.604 22.079 9.494 1.00 0.00 C ATOM 1140 O GLY A 130 6.975 22.256 8.450 1.00 0.00 O ATOM 0 H GLY A 130 9.061 20.674 8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.483 21.969 10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.412 23.202 9.269 1.00 0.00 H new ATOM 1144 N SER A 131 7.021 21.779 10.648 1.00 0.00 N ATOM 1145 CA SER A 131 5.575 21.651 10.758 1.00 0.00 C ATOM 1146 C SER A 131 4.983 22.861 11.471 1.00 0.00 C ATOM 1147 O SER A 131 4.779 22.782 12.701 1.00 0.00 O ATOM 1148 CB SER A 131 5.212 20.370 11.514 1.00 0.00 C ATOM 1149 OG SER A 131 6.307 19.471 11.549 1.00 0.00 O ATOM 1150 OXT SER A 131 4.731 23.881 10.795 1.00 0.00 O ATOM 0 H SER A 131 7.527 21.620 11.519 1.00 0.00 H new ATOM 0 HA SER A 131 5.158 21.600 9.752 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.908 20.618 12.531 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.359 19.890 11.034 1.00 0.00 H new ATOM 0 HG SER A 131 6.050 18.662 12.039 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -0.985 -5.342 2.058 1.00 0.00 ZN