USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 605 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.4!) USER MOD Single : A 18 THR OG1 : rot 140:sc= -0.227 USER MOD Single : A 20 SER OG : rot -144:sc= 0.195 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.505 K(o=-0.51,f=-1.2) USER MOD Single : A 34 THR OG1 : rot 110:sc= 0.515 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.6!) USER MOD Single : A 50 GLN : amide:sc= -0.513! X(o=-0.51!,f=-0.88) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.075) USER MOD Single : A 60 SER OG : rot 180:sc= -0.598 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 127:sc= -2.19! USER MOD Single : A 71 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.63) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0459) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.457 F(o=-2.9!,f=-0.46) USER MOD Single : A 81 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.564 -14.851 5.948 1.00 0.00 N ATOM 24 CA GLU A 4 4.261 -13.643 6.353 1.00 0.00 C ATOM 25 C GLU A 4 4.917 -12.977 5.142 1.00 0.00 C ATOM 26 O GLU A 4 5.466 -11.882 5.251 1.00 0.00 O ATOM 27 CB GLU A 4 5.294 -13.943 7.441 1.00 0.00 C ATOM 28 CG GLU A 4 5.079 -13.051 8.664 1.00 0.00 C ATOM 29 CD GLU A 4 4.450 -13.840 9.815 1.00 0.00 C ATOM 30 OE1 GLU A 4 3.206 -13.960 9.806 1.00 0.00 O ATOM 31 OE2 GLU A 4 5.228 -14.305 10.675 1.00 0.00 O ATOM 0 HA GLU A 4 3.532 -12.950 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.224 -14.991 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.298 -13.789 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.033 -12.631 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.435 -12.213 8.398 1.00 0.00 H new ATOM 38 N ALA A 5 4.841 -13.667 4.013 1.00 0.00 N ATOM 39 CA ALA A 5 5.421 -13.157 2.783 1.00 0.00 C ATOM 40 C ALA A 5 4.528 -12.047 2.225 1.00 0.00 C ATOM 41 O ALA A 5 4.935 -11.311 1.327 1.00 0.00 O ATOM 42 CB ALA A 5 5.609 -14.307 1.792 1.00 0.00 C ATOM 0 H ALA A 5 4.386 -14.576 3.925 1.00 0.00 H new ATOM 0 HA ALA A 5 6.404 -12.726 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.044 -13.924 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.274 -15.055 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.643 -14.763 1.576 1.00 0.00 H new ATOM 48 N ILE A 6 3.328 -11.962 2.780 1.00 0.00 N ATOM 49 CA ILE A 6 2.374 -10.954 2.349 1.00 0.00 C ATOM 50 C ILE A 6 2.555 -9.693 3.195 1.00 0.00 C ATOM 51 O ILE A 6 2.648 -8.590 2.658 1.00 0.00 O ATOM 52 CB ILE A 6 0.952 -11.515 2.378 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.603 -12.194 1.052 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.059 -10.429 2.749 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.811 -12.780 1.090 1.00 0.00 C ATOM 0 H ILE A 6 2.994 -12.575 3.524 1.00 0.00 H new ATOM 0 HA ILE A 6 2.559 -10.672 1.312 1.00 0.00 H new ATOM 0 HB ILE A 6 0.903 -12.279 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.679 -11.472 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.323 -12.986 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.062 -10.855 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.180 -10.032 3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.016 -9.625 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.033 -13.257 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.877 -13.519 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.531 -11.982 1.273 1.00 0.00 H new ATOM 67 N LYS A 7 2.599 -9.897 4.503 1.00 0.00 N ATOM 68 CA LYS A 7 2.767 -8.790 5.429 1.00 0.00 C ATOM 69 C LYS A 7 4.139 -8.151 5.209 1.00 0.00 C ATOM 70 O LYS A 7 4.285 -6.934 5.313 1.00 0.00 O ATOM 71 CB LYS A 7 2.526 -9.252 6.867 1.00 0.00 C ATOM 72 CG LYS A 7 1.747 -8.200 7.658 1.00 0.00 C ATOM 73 CD LYS A 7 2.636 -7.532 8.708 1.00 0.00 C ATOM 74 CE LYS A 7 1.794 -6.829 9.774 1.00 0.00 C ATOM 75 NZ LYS A 7 1.344 -7.796 10.800 1.00 0.00 N ATOM 0 H LYS A 7 2.521 -10.813 4.944 1.00 0.00 H new ATOM 0 HA LYS A 7 2.021 -8.018 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.974 -10.192 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.481 -9.446 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.354 -7.446 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.891 -8.667 8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.274 -8.280 9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.295 -6.810 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.378 -6.037 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.930 -6.355 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.774 -7.302 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.769 -8.537 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.172 -8.229 11.256 1.00 0.00 H new ATOM 89 N ASN A 8 5.111 -9.000 4.909 1.00 0.00 N ATOM 90 CA ASN A 8 6.467 -8.534 4.674 1.00 0.00 C ATOM 91 C ASN A 8 6.544 -7.875 3.295 1.00 0.00 C ATOM 92 O ASN A 8 6.979 -6.731 3.172 1.00 0.00 O ATOM 93 CB ASN A 8 7.461 -9.695 4.699 1.00 0.00 C ATOM 94 CG ASN A 8 8.858 -9.214 5.097 1.00 0.00 C ATOM 95 OD1 ASN A 8 9.110 -8.032 5.267 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.748 -10.193 5.237 1.00 0.00 N ATOM 0 H ASN A 8 4.986 -10.009 4.823 1.00 0.00 H new ATOM 0 HA ASN A 8 6.721 -7.826 5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.120 -10.455 5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.501 -10.165 3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.709 -9.975 5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.470 -11.162 5.079 1.00 0.00 H new ATOM 103 N GLY A 9 6.114 -8.626 2.292 1.00 0.00 N ATOM 104 CA GLY A 9 6.129 -8.130 0.926 1.00 0.00 C ATOM 105 C GLY A 9 5.367 -6.808 0.815 1.00 0.00 C ATOM 106 O GLY A 9 5.844 -5.865 0.186 1.00 0.00 O ATOM 0 H GLY A 9 5.753 -9.574 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.159 -7.989 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.681 -8.869 0.262 1.00 0.00 H new ATOM 110 N VAL A 10 4.197 -6.783 1.435 1.00 0.00 N ATOM 111 CA VAL A 10 3.365 -5.591 1.413 1.00 0.00 C ATOM 112 C VAL A 10 4.147 -4.417 2.006 1.00 0.00 C ATOM 113 O VAL A 10 4.148 -3.323 1.446 1.00 0.00 O ATOM 114 CB VAL A 10 2.047 -5.860 2.142 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.339 -4.551 2.497 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.136 -6.767 1.311 1.00 0.00 C ATOM 0 H VAL A 10 3.805 -7.568 1.955 1.00 0.00 H new ATOM 0 HA VAL A 10 3.106 -5.325 0.388 1.00 0.00 H new ATOM 0 HB VAL A 10 2.279 -6.379 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.405 -4.771 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.981 -3.954 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.126 -3.994 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.206 -6.943 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.916 -6.287 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.636 -7.719 1.131 1.00 0.00 H new ATOM 126 N LEU A 11 4.792 -4.687 3.131 1.00 0.00 N ATOM 127 CA LEU A 11 5.576 -3.666 3.807 1.00 0.00 C ATOM 128 C LEU A 11 6.797 -3.318 2.952 1.00 0.00 C ATOM 129 O LEU A 11 7.173 -2.153 2.848 1.00 0.00 O ATOM 130 CB LEU A 11 5.927 -4.113 5.227 1.00 0.00 C ATOM 131 CG LEU A 11 5.593 -3.122 6.344 1.00 0.00 C ATOM 132 CD1 LEU A 11 6.442 -3.390 7.588 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.732 -1.678 5.856 1.00 0.00 C ATOM 0 H LEU A 11 4.788 -5.597 3.592 1.00 0.00 H new ATOM 0 HA LEU A 11 4.994 -2.751 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.407 -5.049 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.995 -4.327 5.266 1.00 0.00 H new ATOM 0 HG LEU A 11 4.551 -3.267 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.184 -2.671 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.250 -4.400 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.498 -3.289 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.489 -0.994 6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.756 -1.502 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.050 -1.508 5.023 1.00 0.00 H new ATOM 145 N ASP A 12 7.380 -4.352 2.363 1.00 0.00 N ATOM 146 CA ASP A 12 8.549 -4.169 1.520 1.00 0.00 C ATOM 147 C ASP A 12 8.162 -3.354 0.285 1.00 0.00 C ATOM 148 O ASP A 12 8.880 -2.436 -0.107 1.00 0.00 O ATOM 149 CB ASP A 12 9.100 -5.516 1.044 1.00 0.00 C ATOM 150 CG ASP A 12 10.621 -5.576 0.895 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.297 -4.870 1.675 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.075 -6.326 0.004 1.00 0.00 O ATOM 0 H ASP A 12 7.065 -5.318 2.453 1.00 0.00 H new ATOM 0 HA ASP A 12 9.310 -3.654 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.788 -6.288 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.646 -5.758 0.083 1.00 0.00 H new ATOM 157 N ILE A 13 7.027 -3.718 -0.293 1.00 0.00 N ATOM 158 CA ILE A 13 6.535 -3.030 -1.474 1.00 0.00 C ATOM 159 C ILE A 13 6.100 -1.615 -1.093 1.00 0.00 C ATOM 160 O ILE A 13 5.906 -0.765 -1.961 1.00 0.00 O ATOM 161 CB ILE A 13 5.435 -3.851 -2.152 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.028 -4.844 -3.152 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.392 -2.938 -2.800 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.446 -6.244 -2.946 1.00 0.00 C ATOM 0 H ILE A 13 6.434 -4.481 0.035 1.00 0.00 H new ATOM 0 HA ILE A 13 7.329 -2.929 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 13 4.923 -4.434 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.824 -4.507 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.112 -4.877 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.622 -3.545 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.937 -2.306 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.873 -2.311 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.885 -6.931 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.673 -6.587 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.365 -6.213 -3.084 1.00 0.00 H new ATOM 176 N LEU A 14 5.959 -1.404 0.209 1.00 0.00 N ATOM 177 CA LEU A 14 5.550 -0.105 0.716 1.00 0.00 C ATOM 178 C LEU A 14 6.775 0.804 0.824 1.00 0.00 C ATOM 179 O LEU A 14 6.856 1.826 0.144 1.00 0.00 O ATOM 180 CB LEU A 14 4.782 -0.262 2.031 1.00 0.00 C ATOM 181 CG LEU A 14 3.292 0.085 1.983 1.00 0.00 C ATOM 182 CD1 LEU A 14 3.079 1.598 2.062 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.627 -0.524 0.747 1.00 0.00 C ATOM 0 H LEU A 14 6.121 -2.111 0.927 1.00 0.00 H new ATOM 0 HA LEU A 14 4.858 0.374 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.884 -1.294 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.257 0.367 2.784 1.00 0.00 H new ATOM 0 HG LEU A 14 2.810 -0.354 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.012 1.818 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.496 1.976 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.577 2.080 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.569 -0.262 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.105 -0.136 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.732 -1.609 0.774 1.00 0.00 H new ATOM 195 N ALA A 15 7.699 0.400 1.684 1.00 0.00 N ATOM 196 CA ALA A 15 8.916 1.165 1.890 1.00 0.00 C ATOM 197 C ALA A 15 9.644 1.326 0.553 1.00 0.00 C ATOM 198 O ALA A 15 10.447 2.243 0.387 1.00 0.00 O ATOM 199 CB ALA A 15 9.782 0.475 2.945 1.00 0.00 C ATOM 0 H ALA A 15 7.628 -0.448 2.246 1.00 0.00 H new ATOM 0 HA ALA A 15 8.683 2.163 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.695 1.050 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.231 0.411 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.038 -0.529 2.606 1.00 0.00 H new ATOM 205 N ASP A 16 9.338 0.421 -0.364 1.00 0.00 N ATOM 206 CA ASP A 16 9.952 0.451 -1.680 1.00 0.00 C ATOM 207 C ASP A 16 9.278 1.531 -2.529 1.00 0.00 C ATOM 208 O ASP A 16 9.947 2.260 -3.258 1.00 0.00 O ATOM 209 CB ASP A 16 9.782 -0.889 -2.398 1.00 0.00 C ATOM 210 CG ASP A 16 10.434 -0.970 -3.780 1.00 0.00 C ATOM 211 OD1 ASP A 16 10.784 0.109 -4.306 1.00 0.00 O ATOM 212 OD2 ASP A 16 10.570 -2.108 -4.279 1.00 0.00 O ATOM 0 H ASP A 16 8.672 -0.338 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 16 11.014 0.659 -1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.199 -1.676 -1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.717 -1.095 -2.503 1.00 0.00 H new ATOM 217 N LEU A 17 7.960 1.598 -2.405 1.00 0.00 N ATOM 218 CA LEU A 17 7.188 2.576 -3.152 1.00 0.00 C ATOM 219 C LEU A 17 7.639 3.984 -2.760 1.00 0.00 C ATOM 220 O LEU A 17 7.989 4.790 -3.620 1.00 0.00 O ATOM 221 CB LEU A 17 5.689 2.335 -2.959 1.00 0.00 C ATOM 222 CG LEU A 17 4.796 2.671 -4.156 1.00 0.00 C ATOM 223 CD1 LEU A 17 3.657 1.658 -4.291 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.278 4.107 -4.069 1.00 0.00 C ATOM 0 H LEU A 17 7.408 0.991 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 17 7.371 2.469 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.540 1.286 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.354 2.923 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 17 5.399 2.601 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.037 1.919 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.072 0.660 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.049 1.672 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.646 4.319 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.697 4.229 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.121 4.798 -4.058 1.00 0.00 H new ATOM 236 N THR A 18 7.619 4.237 -1.460 1.00 0.00 N ATOM 237 CA THR A 18 8.022 5.534 -0.943 1.00 0.00 C ATOM 238 C THR A 18 9.547 5.646 -0.915 1.00 0.00 C ATOM 239 O THR A 18 10.108 6.649 -1.352 1.00 0.00 O ATOM 240 CB THR A 18 7.373 5.717 0.431 1.00 0.00 C ATOM 241 OG1 THR A 18 8.106 4.839 1.280 1.00 0.00 O ATOM 242 CG2 THR A 18 5.943 5.178 0.480 1.00 0.00 C ATOM 0 H THR A 18 7.330 3.566 -0.749 1.00 0.00 H new ATOM 0 HA THR A 18 7.680 6.342 -1.590 1.00 0.00 H new ATOM 0 HB THR A 18 7.370 6.775 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.258 5.272 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.530 5.333 1.477 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.331 5.704 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.948 4.112 0.251 1.00 0.00 H new ATOM 250 N GLY A 19 10.175 4.601 -0.395 1.00 0.00 N ATOM 251 CA GLY A 19 11.626 4.569 -0.304 1.00 0.00 C ATOM 252 C GLY A 19 12.099 5.031 1.076 1.00 0.00 C ATOM 253 O GLY A 19 13.278 5.326 1.265 1.00 0.00 O ATOM 0 H GLY A 19 9.706 3.771 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.984 3.557 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.056 5.210 -1.073 1.00 0.00 H new ATOM 257 N SER A 20 11.155 5.077 2.005 1.00 0.00 N ATOM 258 CA SER A 20 11.460 5.497 3.362 1.00 0.00 C ATOM 259 C SER A 20 11.154 4.363 4.342 1.00 0.00 C ATOM 260 O SER A 20 10.550 3.359 3.966 1.00 0.00 O ATOM 261 CB SER A 20 10.673 6.753 3.740 1.00 0.00 C ATOM 262 OG SER A 20 11.529 7.868 3.979 1.00 0.00 O ATOM 0 H SER A 20 10.178 4.830 1.844 1.00 0.00 H new ATOM 0 HA SER A 20 12.522 5.737 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.974 6.997 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.079 6.554 4.632 1.00 0.00 H new ATOM 0 HG SER A 20 11.160 8.415 4.704 1.00 0.00 H new ATOM 268 N ASP A 21 11.583 4.562 5.580 1.00 0.00 N ATOM 269 CA ASP A 21 11.361 3.569 6.617 1.00 0.00 C ATOM 270 C ASP A 21 10.234 4.041 7.537 1.00 0.00 C ATOM 271 O ASP A 21 9.520 3.226 8.119 1.00 0.00 O ATOM 272 CB ASP A 21 12.617 3.372 7.469 1.00 0.00 C ATOM 273 CG ASP A 21 12.368 2.800 8.865 1.00 0.00 C ATOM 274 OD1 ASP A 21 11.815 1.681 8.930 1.00 0.00 O ATOM 275 OD2 ASP A 21 12.737 3.494 9.838 1.00 0.00 O ATOM 0 H ASP A 21 12.083 5.396 5.888 1.00 0.00 H new ATOM 0 HA ASP A 21 11.103 2.627 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.298 2.708 6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.123 4.332 7.571 1.00 0.00 H new ATOM 280 N ASP A 22 10.111 5.356 7.642 1.00 0.00 N ATOM 281 CA ASP A 22 9.083 5.947 8.482 1.00 0.00 C ATOM 282 C ASP A 22 7.772 5.183 8.289 1.00 0.00 C ATOM 283 O ASP A 22 7.080 4.875 9.258 1.00 0.00 O ATOM 284 CB ASP A 22 8.839 7.410 8.107 1.00 0.00 C ATOM 285 CG ASP A 22 9.910 8.036 7.211 1.00 0.00 C ATOM 286 OD1 ASP A 22 11.084 8.029 7.640 1.00 0.00 O ATOM 287 OD2 ASP A 22 9.531 8.506 6.116 1.00 0.00 O ATOM 0 H ASP A 22 10.706 6.029 7.159 1.00 0.00 H new ATOM 0 HA ASP A 22 9.420 5.892 9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.876 7.484 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.765 7.996 9.023 1.00 0.00 H new ATOM 292 N VAL A 23 7.469 4.899 7.031 1.00 0.00 N ATOM 293 CA VAL A 23 6.252 4.177 6.698 1.00 0.00 C ATOM 294 C VAL A 23 6.448 2.692 7.001 1.00 0.00 C ATOM 295 O VAL A 23 5.511 2.010 7.414 1.00 0.00 O ATOM 296 CB VAL A 23 5.867 4.445 5.242 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.994 4.034 4.292 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.560 3.736 4.881 1.00 0.00 C ATOM 0 H VAL A 23 8.045 5.156 6.229 1.00 0.00 H new ATOM 0 HA VAL A 23 5.420 4.527 7.309 1.00 0.00 H new ATOM 0 HB VAL A 23 5.709 5.518 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.694 4.235 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.893 4.604 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.198 2.970 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.309 3.943 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.679 2.661 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.759 4.098 5.526 1.00 0.00 H new ATOM 308 N LYS A 24 7.671 2.231 6.785 1.00 0.00 N ATOM 309 CA LYS A 24 8.001 0.837 7.031 1.00 0.00 C ATOM 310 C LYS A 24 7.634 0.476 8.471 1.00 0.00 C ATOM 311 O LYS A 24 7.365 -0.685 8.775 1.00 0.00 O ATOM 312 CB LYS A 24 9.466 0.564 6.682 1.00 0.00 C ATOM 313 CG LYS A 24 9.883 -0.839 7.126 1.00 0.00 C ATOM 314 CD LYS A 24 10.466 -0.816 8.541 1.00 0.00 C ATOM 315 CE LYS A 24 9.930 -1.982 9.374 1.00 0.00 C ATOM 316 NZ LYS A 24 11.030 -2.634 10.120 1.00 0.00 N ATOM 0 H LYS A 24 8.446 2.798 6.442 1.00 0.00 H new ATOM 0 HA LYS A 24 7.416 0.187 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.613 0.668 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.103 1.306 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.021 -1.505 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.621 -1.240 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.554 -0.870 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.216 0.127 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.174 -1.621 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.443 -2.708 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.649 -3.423 10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.738 -2.995 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.476 -1.942 10.755 1.00 0.00 H new ATOM 330 N LYS A 25 7.634 1.493 9.320 1.00 0.00 N ATOM 331 CA LYS A 25 7.303 1.298 10.722 1.00 0.00 C ATOM 332 C LYS A 25 5.850 1.710 10.961 1.00 0.00 C ATOM 333 O LYS A 25 5.003 0.870 11.260 1.00 0.00 O ATOM 334 CB LYS A 25 8.306 2.031 11.615 1.00 0.00 C ATOM 335 CG LYS A 25 8.121 1.640 13.083 1.00 0.00 C ATOM 336 CD LYS A 25 7.079 2.532 13.761 1.00 0.00 C ATOM 337 CE LYS A 25 7.540 2.948 15.158 1.00 0.00 C ATOM 338 NZ LYS A 25 6.377 3.129 16.056 1.00 0.00 N ATOM 0 H LYS A 25 7.858 2.455 9.064 1.00 0.00 H new ATOM 0 HA LYS A 25 7.383 0.244 10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.322 1.795 11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.179 3.108 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.810 0.597 13.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.073 1.723 13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.904 3.419 13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.130 2.000 13.831 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.208 2.190 15.567 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.109 3.876 15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.708 3.411 17.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.754 3.868 15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.851 2.235 16.127 1.00 0.00 H new ATOM 352 N ASN A 26 5.604 3.005 10.821 1.00 0.00 N ATOM 353 CA ASN A 26 4.268 3.540 11.018 1.00 0.00 C ATOM 354 C ASN A 26 3.291 2.811 10.092 1.00 0.00 C ATOM 355 O ASN A 26 3.558 2.653 8.903 1.00 0.00 O ATOM 356 CB ASN A 26 4.215 5.031 10.681 1.00 0.00 C ATOM 357 CG ASN A 26 4.048 5.873 11.949 1.00 0.00 C ATOM 358 OD1 ASN A 26 2.949 6.141 12.406 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.196 6.273 12.487 1.00 0.00 N ATOM 0 H ASN A 26 6.309 3.700 10.573 1.00 0.00 H new ATOM 0 HA ASN A 26 3.999 3.398 12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.129 5.323 10.163 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.387 5.225 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.192 6.840 13.335 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.081 6.012 12.052 1.00 0.00 H new ATOM 366 N LEU A 27 2.177 2.389 10.675 1.00 0.00 N ATOM 367 CA LEU A 27 1.159 1.682 9.917 1.00 0.00 C ATOM 368 C LEU A 27 -0.044 2.604 9.704 1.00 0.00 C ATOM 369 O LEU A 27 -1.188 2.153 9.732 1.00 0.00 O ATOM 370 CB LEU A 27 0.807 0.358 10.598 1.00 0.00 C ATOM 371 CG LEU A 27 1.979 -0.583 10.882 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.633 -1.571 11.997 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.432 -1.295 9.605 1.00 0.00 C ATOM 0 H LEU A 27 1.958 2.523 11.662 1.00 0.00 H new ATOM 0 HA LEU A 27 1.535 1.415 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.308 0.579 11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.087 -0.169 9.972 1.00 0.00 H new ATOM 0 HG LEU A 27 2.820 0.016 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.484 -2.228 12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.397 -1.022 12.909 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.771 -2.168 11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.266 -1.958 9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.605 -1.879 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.748 -0.556 8.869 1.00 0.00 H new ATOM 385 N ASP A 28 0.256 3.877 9.496 1.00 0.00 N ATOM 386 CA ASP A 28 -0.786 4.865 9.279 1.00 0.00 C ATOM 387 C ASP A 28 -0.156 6.159 8.758 1.00 0.00 C ATOM 388 O ASP A 28 -0.657 7.250 9.027 1.00 0.00 O ATOM 389 CB ASP A 28 -1.520 5.188 10.582 1.00 0.00 C ATOM 390 CG ASP A 28 -3.033 4.965 10.545 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.446 3.825 10.850 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.743 5.938 10.213 1.00 0.00 O ATOM 0 H ASP A 28 1.206 4.247 9.473 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.494 4.455 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.098 4.578 11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.328 6.229 10.841 1.00 0.00 H new ATOM 397 N LEU A 29 0.933 5.994 8.023 1.00 0.00 N ATOM 398 CA LEU A 29 1.638 7.135 7.462 1.00 0.00 C ATOM 399 C LEU A 29 1.050 7.467 6.089 1.00 0.00 C ATOM 400 O LEU A 29 1.376 6.816 5.097 1.00 0.00 O ATOM 401 CB LEU A 29 3.145 6.876 7.440 1.00 0.00 C ATOM 402 CG LEU A 29 4.035 8.111 7.282 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.714 9.159 8.349 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.515 7.724 7.285 1.00 0.00 C ATOM 0 H LEU A 29 1.345 5.087 7.802 1.00 0.00 H new ATOM 0 HA LEU A 29 1.499 8.015 8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.420 6.370 8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.364 6.188 6.623 1.00 0.00 H new ATOM 0 HG LEU A 29 3.823 8.563 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.361 10.026 8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.672 9.465 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.880 8.733 9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.126 8.620 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.761 7.234 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.714 7.042 6.459 1.00 0.00 H new ATOM 416 N ASN A 30 0.194 8.478 6.075 1.00 0.00 N ATOM 417 CA ASN A 30 -0.441 8.903 4.840 1.00 0.00 C ATOM 418 C ASN A 30 0.568 8.811 3.694 1.00 0.00 C ATOM 419 O ASN A 30 1.643 9.406 3.758 1.00 0.00 O ATOM 420 CB ASN A 30 -0.915 10.355 4.936 1.00 0.00 C ATOM 421 CG ASN A 30 -1.595 10.622 6.279 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.263 11.547 7.001 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.566 9.761 6.575 1.00 0.00 N ATOM 0 H ASN A 30 -0.074 9.015 6.900 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.298 8.254 4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.066 11.027 4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.610 10.569 4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.081 9.854 7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.795 9.008 5.926 1.00 0.00 H new ATOM 430 N LEU A 31 0.187 8.059 2.671 1.00 0.00 N ATOM 431 CA LEU A 31 1.045 7.881 1.513 1.00 0.00 C ATOM 432 C LEU A 31 0.832 9.043 0.542 1.00 0.00 C ATOM 433 O LEU A 31 1.482 9.114 -0.500 1.00 0.00 O ATOM 434 CB LEU A 31 0.817 6.504 0.884 1.00 0.00 C ATOM 435 CG LEU A 31 1.223 5.301 1.738 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.333 4.093 1.441 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.707 4.978 1.561 1.00 0.00 C ATOM 0 H LEU A 31 -0.705 7.566 2.621 1.00 0.00 H new ATOM 0 HA LEU A 31 2.094 7.901 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.241 6.409 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.368 6.460 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 31 1.074 5.560 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.643 3.252 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.705 4.343 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.426 3.822 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.969 4.119 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.907 4.746 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.305 5.838 1.863 1.00 0.00 H new ATOM 449 N PHE A 32 -0.083 9.926 0.917 1.00 0.00 N ATOM 450 CA PHE A 32 -0.389 11.082 0.092 1.00 0.00 C ATOM 451 C PHE A 32 -0.203 12.381 0.878 1.00 0.00 C ATOM 452 O PHE A 32 0.344 13.353 0.357 1.00 0.00 O ATOM 453 CB PHE A 32 -1.856 10.957 -0.324 1.00 0.00 C ATOM 454 CG PHE A 32 -2.111 9.900 -1.400 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.856 8.590 -1.140 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.592 10.270 -2.617 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.092 7.608 -2.139 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.827 9.289 -3.616 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.573 7.979 -3.355 1.00 0.00 C ATOM 0 H PHE A 32 -0.622 9.864 1.781 1.00 0.00 H new ATOM 0 HA PHE A 32 0.278 11.112 -0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.453 10.716 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.203 11.924 -0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.474 8.296 -0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.795 11.310 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.889 6.567 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.207 9.583 -4.583 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.754 7.233 -4.114 1.00 0.00 H new ATOM 469 N GLU A 33 -0.668 12.357 2.118 1.00 0.00 N ATOM 470 CA GLU A 33 -0.559 13.521 2.980 1.00 0.00 C ATOM 471 C GLU A 33 0.899 13.752 3.379 1.00 0.00 C ATOM 472 O GLU A 33 1.254 14.831 3.852 1.00 0.00 O ATOM 473 CB GLU A 33 -1.448 13.372 4.217 1.00 0.00 C ATOM 474 CG GLU A 33 -2.088 14.709 4.597 1.00 0.00 C ATOM 475 CD GLU A 33 -3.332 14.497 5.462 1.00 0.00 C ATOM 476 OE1 GLU A 33 -4.270 13.844 4.955 1.00 0.00 O ATOM 477 OE2 GLU A 33 -3.316 14.991 6.610 1.00 0.00 O ATOM 0 H GLU A 33 -1.121 11.550 2.546 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.906 14.393 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.227 12.634 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.856 12.998 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.366 15.321 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.358 15.256 3.694 1.00 0.00 H new ATOM 484 N THR A 34 1.707 12.722 3.174 1.00 0.00 N ATOM 485 CA THR A 34 3.119 12.799 3.506 1.00 0.00 C ATOM 486 C THR A 34 3.943 13.122 2.258 1.00 0.00 C ATOM 487 O THR A 34 5.126 13.445 2.356 1.00 0.00 O ATOM 488 CB THR A 34 3.520 11.483 4.174 1.00 0.00 C ATOM 489 OG1 THR A 34 2.698 11.419 5.336 1.00 0.00 O ATOM 490 CG2 THR A 34 4.946 11.519 4.728 1.00 0.00 C ATOM 0 H THR A 34 1.410 11.829 2.782 1.00 0.00 H new ATOM 0 HA THR A 34 3.317 13.610 4.207 1.00 0.00 H new ATOM 0 HB THR A 34 3.430 10.669 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.032 10.709 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.181 10.561 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.647 11.710 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.027 12.311 5.472 1.00 0.00 H new ATOM 498 N GLY A 35 3.286 13.025 1.111 1.00 0.00 N ATOM 499 CA GLY A 35 3.942 13.303 -0.154 1.00 0.00 C ATOM 500 C GLY A 35 4.862 12.149 -0.560 1.00 0.00 C ATOM 501 O GLY A 35 5.720 12.309 -1.426 1.00 0.00 O ATOM 0 H GLY A 35 2.305 12.757 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.192 13.465 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.521 14.223 -0.073 1.00 0.00 H new ATOM 505 N LEU A 36 4.650 11.012 0.086 1.00 0.00 N ATOM 506 CA LEU A 36 5.450 9.831 -0.197 1.00 0.00 C ATOM 507 C LEU A 36 4.996 9.219 -1.524 1.00 0.00 C ATOM 508 O LEU A 36 5.811 8.690 -2.278 1.00 0.00 O ATOM 509 CB LEU A 36 5.398 8.855 0.980 1.00 0.00 C ATOM 510 CG LEU A 36 6.336 9.163 2.149 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.239 8.084 3.229 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.773 9.360 1.661 1.00 0.00 C ATOM 0 H LEU A 36 3.937 10.883 0.804 1.00 0.00 H new ATOM 0 HA LEU A 36 6.500 10.100 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.376 8.827 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.628 7.856 0.609 1.00 0.00 H new ATOM 0 HG LEU A 36 6.019 10.102 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.916 8.327 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.217 8.036 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.515 7.119 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.419 9.578 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.117 8.452 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.807 10.191 0.957 1.00 0.00 H new ATOM 524 N LEU A 37 3.697 9.313 -1.769 1.00 0.00 N ATOM 525 CA LEU A 37 3.127 8.775 -2.992 1.00 0.00 C ATOM 526 C LEU A 37 2.635 9.928 -3.870 1.00 0.00 C ATOM 527 O LEU A 37 2.488 11.053 -3.397 1.00 0.00 O ATOM 528 CB LEU A 37 2.043 7.743 -2.669 1.00 0.00 C ATOM 529 CG LEU A 37 1.928 6.566 -3.639 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.622 5.267 -2.890 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.898 6.854 -4.732 1.00 0.00 C ATOM 0 H LEU A 37 3.024 9.753 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 37 3.886 8.239 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.231 7.348 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.081 8.255 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 37 2.891 6.434 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.545 4.446 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.423 5.059 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.679 5.370 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.836 6.001 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.077 7.027 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.199 7.739 -5.292 1.00 0.00 H new ATOM 543 N ASP A 38 2.395 9.607 -5.133 1.00 0.00 N ATOM 544 CA ASP A 38 1.924 10.602 -6.082 1.00 0.00 C ATOM 545 C ASP A 38 0.593 10.140 -6.678 1.00 0.00 C ATOM 546 O ASP A 38 -0.429 10.804 -6.513 1.00 0.00 O ATOM 547 CB ASP A 38 2.919 10.783 -7.230 1.00 0.00 C ATOM 548 CG ASP A 38 3.620 9.502 -7.686 1.00 0.00 C ATOM 549 OD1 ASP A 38 4.225 8.843 -6.814 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.535 9.211 -8.899 1.00 0.00 O ATOM 0 H ASP A 38 2.518 8.672 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 38 1.810 11.547 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.393 11.215 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.676 11.505 -6.924 1.00 0.00 H new ATOM 555 N SER A 39 0.649 9.006 -7.360 1.00 0.00 N ATOM 556 CA SER A 39 -0.540 8.447 -7.984 1.00 0.00 C ATOM 557 C SER A 39 -0.164 7.231 -8.831 1.00 0.00 C ATOM 558 O SER A 39 -0.881 6.231 -8.840 1.00 0.00 O ATOM 559 CB SER A 39 -1.254 9.493 -8.843 1.00 0.00 C ATOM 560 OG SER A 39 -0.355 10.169 -9.717 1.00 0.00 O ATOM 0 H SER A 39 1.499 8.458 -7.495 1.00 0.00 H new ATOM 0 HA SER A 39 -1.225 8.134 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.035 9.009 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.746 10.219 -8.196 1.00 0.00 H new ATOM 0 HG SER A 39 -0.849 10.827 -10.249 1.00 0.00 H new ATOM 566 N MET A 40 0.959 7.355 -9.522 1.00 0.00 N ATOM 567 CA MET A 40 1.438 6.277 -10.372 1.00 0.00 C ATOM 568 C MET A 40 2.050 5.152 -9.535 1.00 0.00 C ATOM 569 O MET A 40 2.070 3.998 -9.961 1.00 0.00 O ATOM 570 CB MET A 40 2.488 6.821 -11.342 1.00 0.00 C ATOM 571 CG MET A 40 1.925 6.913 -12.763 1.00 0.00 C ATOM 572 SD MET A 40 0.938 8.391 -12.934 1.00 0.00 S ATOM 573 CE MET A 40 -0.313 7.799 -14.061 1.00 0.00 C ATOM 0 H MET A 40 1.552 8.185 -9.511 1.00 0.00 H new ATOM 0 HA MET A 40 0.592 5.873 -10.928 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.817 7.807 -11.013 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.365 6.174 -11.335 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.741 6.925 -13.486 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.319 6.034 -12.980 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.018 8.602 -14.276 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.158 7.471 -14.988 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.844 6.962 -13.608 1.00 0.00 H new ATOM 583 N GLY A 41 2.535 5.527 -8.361 1.00 0.00 N ATOM 584 CA GLY A 41 3.145 4.563 -7.461 1.00 0.00 C ATOM 585 C GLY A 41 2.190 3.405 -7.167 1.00 0.00 C ATOM 586 O GLY A 41 2.533 2.243 -7.382 1.00 0.00 O ATOM 0 H GLY A 41 2.518 6.485 -8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.064 4.178 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.422 5.056 -6.529 1.00 0.00 H new ATOM 590 N THR A 42 1.011 3.762 -6.679 1.00 0.00 N ATOM 591 CA THR A 42 0.004 2.766 -6.353 1.00 0.00 C ATOM 592 C THR A 42 -0.111 1.736 -7.478 1.00 0.00 C ATOM 593 O THR A 42 -0.131 0.534 -7.224 1.00 0.00 O ATOM 594 CB THR A 42 -1.307 3.499 -6.063 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.837 2.826 -4.924 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.359 3.271 -7.152 1.00 0.00 C ATOM 0 H THR A 42 0.731 4.726 -6.502 1.00 0.00 H new ATOM 0 HA THR A 42 0.280 2.199 -5.464 1.00 0.00 H new ATOM 0 HB THR A 42 -1.111 4.567 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.688 3.239 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.270 3.813 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.978 3.631 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.580 2.206 -7.228 1.00 0.00 H new ATOM 604 N VAL A 43 -0.184 2.246 -8.699 1.00 0.00 N ATOM 605 CA VAL A 43 -0.297 1.385 -9.864 1.00 0.00 C ATOM 606 C VAL A 43 0.739 0.264 -9.767 1.00 0.00 C ATOM 607 O VAL A 43 0.394 -0.914 -9.848 1.00 0.00 O ATOM 608 CB VAL A 43 -0.162 2.214 -11.143 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.342 1.340 -12.385 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.151 3.383 -11.146 1.00 0.00 C ATOM 0 H VAL A 43 -0.167 3.245 -8.907 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.281 0.917 -9.898 1.00 0.00 H new ATOM 0 HB VAL A 43 0.846 2.628 -11.169 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.241 1.954 -13.280 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.418 0.559 -12.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.331 0.883 -12.368 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.034 3.956 -12.066 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.169 2.998 -11.085 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.955 4.028 -10.289 1.00 0.00 H new ATOM 620 N GLN A 44 1.988 0.670 -9.593 1.00 0.00 N ATOM 621 CA GLN A 44 3.076 -0.287 -9.484 1.00 0.00 C ATOM 622 C GLN A 44 2.795 -1.286 -8.359 1.00 0.00 C ATOM 623 O GLN A 44 2.816 -2.496 -8.580 1.00 0.00 O ATOM 624 CB GLN A 44 4.412 0.426 -9.262 1.00 0.00 C ATOM 625 CG GLN A 44 5.583 -0.549 -9.398 1.00 0.00 C ATOM 626 CD GLN A 44 6.812 0.149 -9.987 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.757 1.279 -10.442 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.920 -0.586 -9.951 1.00 0.00 N ATOM 0 H GLN A 44 2.271 1.648 -9.525 1.00 0.00 H new ATOM 0 HA GLN A 44 3.145 -0.837 -10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.521 1.234 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.426 0.880 -8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.830 -0.965 -8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.294 -1.384 -10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.896 -1.526 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.794 -0.210 -10.319 1.00 0.00 H new ATOM 637 N LEU A 45 2.538 -0.742 -7.179 1.00 0.00 N ATOM 638 CA LEU A 45 2.252 -1.570 -6.020 1.00 0.00 C ATOM 639 C LEU A 45 1.247 -2.656 -6.410 1.00 0.00 C ATOM 640 O LEU A 45 1.364 -3.800 -5.974 1.00 0.00 O ATOM 641 CB LEU A 45 1.798 -0.706 -4.841 1.00 0.00 C ATOM 642 CG LEU A 45 0.420 -1.032 -4.262 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.374 -2.467 -3.733 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.020 -0.013 -3.194 1.00 0.00 C ATOM 0 H LEU A 45 2.522 0.262 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 45 3.156 -2.077 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.536 -0.797 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.799 0.337 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.314 -0.962 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.616 -2.673 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.585 -3.162 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.121 -2.590 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.963 -0.267 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.751 -0.027 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.013 0.983 -3.636 1.00 0.00 H new ATOM 656 N LEU A 46 0.281 -2.258 -7.225 1.00 0.00 N ATOM 657 CA LEU A 46 -0.744 -3.183 -7.677 1.00 0.00 C ATOM 658 C LEU A 46 -0.094 -4.294 -8.505 1.00 0.00 C ATOM 659 O LEU A 46 -0.482 -5.456 -8.403 1.00 0.00 O ATOM 660 CB LEU A 46 -1.853 -2.432 -8.419 1.00 0.00 C ATOM 661 CG LEU A 46 -3.188 -2.308 -7.682 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.117 -1.322 -8.394 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.841 -3.679 -7.495 1.00 0.00 C ATOM 0 H LEU A 46 0.187 -1.308 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.228 -3.661 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.494 -1.429 -8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.031 -2.934 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.994 -1.907 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.059 -1.252 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.646 -0.340 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.309 -1.671 -9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.788 -3.562 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.021 -4.132 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.179 -4.321 -6.913 1.00 0.00 H new ATOM 675 N LEU A 47 0.884 -3.896 -9.306 1.00 0.00 N ATOM 676 CA LEU A 47 1.592 -4.843 -10.150 1.00 0.00 C ATOM 677 C LEU A 47 2.138 -5.981 -9.285 1.00 0.00 C ATOM 678 O LEU A 47 2.052 -7.149 -9.662 1.00 0.00 O ATOM 679 CB LEU A 47 2.664 -4.128 -10.974 1.00 0.00 C ATOM 680 CG LEU A 47 2.793 -4.571 -12.433 1.00 0.00 C ATOM 681 CD1 LEU A 47 3.299 -6.012 -12.526 1.00 0.00 C ATOM 682 CD2 LEU A 47 1.475 -4.376 -13.185 1.00 0.00 C ATOM 0 H LEU A 47 1.202 -2.930 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 47 0.912 -5.291 -10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.455 -3.058 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.627 -4.272 -10.484 1.00 0.00 H new ATOM 0 HG LEU A 47 3.536 -3.937 -12.917 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.382 -6.302 -13.574 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.277 -6.085 -12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.599 -6.677 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.595 -4.699 -14.219 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.693 -4.968 -12.709 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.196 -3.322 -13.164 1.00 0.00 H new ATOM 694 N GLU A 48 2.688 -5.601 -8.141 1.00 0.00 N ATOM 695 CA GLU A 48 3.248 -6.574 -7.219 1.00 0.00 C ATOM 696 C GLU A 48 2.140 -7.203 -6.373 1.00 0.00 C ATOM 697 O GLU A 48 2.302 -8.305 -5.851 1.00 0.00 O ATOM 698 CB GLU A 48 4.321 -5.938 -6.334 1.00 0.00 C ATOM 699 CG GLU A 48 5.704 -6.514 -6.647 1.00 0.00 C ATOM 700 CD GLU A 48 6.027 -6.382 -8.137 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.394 -5.258 -8.541 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.901 -7.410 -8.837 1.00 0.00 O ATOM 0 H GLU A 48 2.758 -4.632 -7.832 1.00 0.00 H new ATOM 0 HA GLU A 48 3.726 -7.363 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.330 -4.859 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.081 -6.110 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.460 -5.994 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.740 -7.563 -6.355 1.00 0.00 H new ATOM 709 N LEU A 49 1.039 -6.475 -6.263 1.00 0.00 N ATOM 710 CA LEU A 49 -0.096 -6.947 -5.488 1.00 0.00 C ATOM 711 C LEU A 49 -0.962 -7.858 -6.362 1.00 0.00 C ATOM 712 O LEU A 49 -1.899 -8.485 -5.873 1.00 0.00 O ATOM 713 CB LEU A 49 -0.861 -5.768 -4.885 1.00 0.00 C ATOM 714 CG LEU A 49 -1.358 -5.954 -3.449 1.00 0.00 C ATOM 715 CD1 LEU A 49 -0.186 -6.157 -2.485 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.253 -4.790 -3.022 1.00 0.00 C ATOM 0 H LEU A 49 0.908 -5.562 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 49 0.244 -7.544 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.217 -4.889 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.720 -5.555 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.966 -6.858 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.567 -6.287 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.376 -7.044 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.468 -5.285 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.592 -4.948 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.690 -3.858 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.116 -4.733 -3.685 1.00 0.00 H new ATOM 728 N GLN A 50 -0.616 -7.901 -7.640 1.00 0.00 N ATOM 729 CA GLN A 50 -1.348 -8.725 -8.587 1.00 0.00 C ATOM 730 C GLN A 50 -0.478 -9.891 -9.060 1.00 0.00 C ATOM 731 O GLN A 50 -0.799 -10.548 -10.050 1.00 0.00 O ATOM 732 CB GLN A 50 -1.841 -7.892 -9.771 1.00 0.00 C ATOM 733 CG GLN A 50 -2.899 -8.652 -10.573 1.00 0.00 C ATOM 734 CD GLN A 50 -3.835 -7.685 -11.301 1.00 0.00 C ATOM 735 OE1 GLN A 50 -3.420 -6.864 -12.103 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.117 -7.826 -10.978 1.00 0.00 N ATOM 0 H GLN A 50 0.162 -7.378 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.224 -9.133 -8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.259 -6.952 -9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.001 -7.640 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.412 -9.306 -11.296 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.478 -9.290 -9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.397 -8.534 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.821 -7.227 -11.410 1.00 0.00 H new ATOM 745 N SER A 51 0.606 -10.114 -8.331 1.00 0.00 N ATOM 746 CA SER A 51 1.524 -11.189 -8.664 1.00 0.00 C ATOM 747 C SER A 51 1.749 -12.082 -7.443 1.00 0.00 C ATOM 748 O SER A 51 1.476 -13.281 -7.487 1.00 0.00 O ATOM 749 CB SER A 51 2.857 -10.637 -9.171 1.00 0.00 C ATOM 750 OG SER A 51 2.987 -10.770 -10.584 1.00 0.00 O ATOM 0 H SER A 51 0.869 -9.568 -7.511 1.00 0.00 H new ATOM 0 HA SER A 51 1.080 -11.783 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.942 -9.586 -8.896 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.677 -11.162 -8.680 1.00 0.00 H new ATOM 0 HG SER A 51 3.851 -10.405 -10.869 1.00 0.00 H new ATOM 756 N GLN A 52 2.245 -11.464 -6.381 1.00 0.00 N ATOM 757 CA GLN A 52 2.511 -12.188 -5.149 1.00 0.00 C ATOM 758 C GLN A 52 1.208 -12.425 -4.382 1.00 0.00 C ATOM 759 O GLN A 52 1.128 -13.333 -3.555 1.00 0.00 O ATOM 760 CB GLN A 52 3.529 -11.442 -4.284 1.00 0.00 C ATOM 761 CG GLN A 52 4.889 -11.366 -4.981 1.00 0.00 C ATOM 762 CD GLN A 52 5.828 -12.462 -4.472 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.658 -13.638 -4.747 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.827 -12.011 -3.718 1.00 0.00 N ATOM 0 H GLN A 52 2.470 -10.470 -6.348 1.00 0.00 H new ATOM 0 HA GLN A 52 2.941 -13.156 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.166 -10.435 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.636 -11.947 -3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.756 -11.468 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.337 -10.388 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.911 -11.013 -3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.509 -12.664 -3.331 1.00 0.00 H new ATOM 773 N PHE A 53 0.221 -11.594 -4.683 1.00 0.00 N ATOM 774 CA PHE A 53 -1.073 -11.701 -4.032 1.00 0.00 C ATOM 775 C PHE A 53 -2.183 -11.945 -5.056 1.00 0.00 C ATOM 776 O PHE A 53 -3.137 -12.671 -4.782 1.00 0.00 O ATOM 777 CB PHE A 53 -1.329 -10.370 -3.325 1.00 0.00 C ATOM 778 CG PHE A 53 -0.116 -9.819 -2.574 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.958 -9.352 -3.266 1.00 0.00 C ATOM 780 CD2 PHE A 53 -0.110 -9.796 -1.214 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.085 -8.842 -2.569 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.017 -9.285 -0.517 1.00 0.00 C ATOM 783 CZ PHE A 53 2.090 -8.819 -1.209 1.00 0.00 C ATOM 0 H PHE A 53 0.292 -10.843 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.071 -12.538 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.651 -9.635 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.152 -10.497 -2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.953 -9.369 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.962 -10.166 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.938 -8.472 -3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.021 -9.267 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.947 -8.430 -0.679 1.00 0.00 H new ATOM 793 N GLY A 54 -2.022 -11.323 -6.215 1.00 0.00 N ATOM 794 CA GLY A 54 -2.999 -11.462 -7.281 1.00 0.00 C ATOM 795 C GLY A 54 -4.278 -10.690 -6.957 1.00 0.00 C ATOM 796 O GLY A 54 -5.381 -11.209 -7.125 1.00 0.00 O ATOM 0 H GLY A 54 -1.229 -10.721 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.576 -11.096 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.234 -12.516 -7.429 1.00 0.00 H new ATOM 800 N VAL A 55 -4.089 -9.461 -6.498 1.00 0.00 N ATOM 801 CA VAL A 55 -5.215 -8.612 -6.148 1.00 0.00 C ATOM 802 C VAL A 55 -5.850 -8.062 -7.428 1.00 0.00 C ATOM 803 O VAL A 55 -5.249 -8.122 -8.498 1.00 0.00 O ATOM 804 CB VAL A 55 -4.762 -7.511 -5.186 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.068 -6.376 -5.940 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.939 -6.985 -4.362 1.00 0.00 C ATOM 0 H VAL A 55 -3.173 -9.033 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.979 -9.188 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.038 -7.945 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.756 -5.607 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.194 -6.766 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.759 -5.944 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.590 -6.204 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.697 -6.575 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.370 -7.801 -3.781 1.00 0.00 H new ATOM 816 N ASP A 56 -7.059 -7.540 -7.273 1.00 0.00 N ATOM 817 CA ASP A 56 -7.782 -6.981 -8.402 1.00 0.00 C ATOM 818 C ASP A 56 -8.278 -5.579 -8.042 1.00 0.00 C ATOM 819 O ASP A 56 -9.333 -5.151 -8.508 1.00 0.00 O ATOM 820 CB ASP A 56 -9.000 -7.838 -8.755 1.00 0.00 C ATOM 821 CG ASP A 56 -9.034 -8.352 -10.195 1.00 0.00 C ATOM 822 OD1 ASP A 56 -8.850 -7.512 -11.103 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.243 -9.574 -10.358 1.00 0.00 O ATOM 0 H ASP A 56 -7.555 -7.493 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.104 -6.950 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.032 -8.693 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.902 -7.253 -8.573 1.00 0.00 H new ATOM 828 N ALA A 57 -7.495 -4.904 -7.213 1.00 0.00 N ATOM 829 CA ALA A 57 -7.841 -3.560 -6.783 1.00 0.00 C ATOM 830 C ALA A 57 -8.003 -2.663 -8.012 1.00 0.00 C ATOM 831 O ALA A 57 -7.046 -2.437 -8.751 1.00 0.00 O ATOM 832 CB ALA A 57 -6.773 -3.041 -5.819 1.00 0.00 C ATOM 0 H ALA A 57 -6.622 -5.263 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.790 -3.561 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.033 -2.033 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.718 -3.697 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.806 -3.023 -6.322 1.00 0.00 H new ATOM 838 N PRO A 58 -9.254 -2.162 -8.198 1.00 0.00 N ATOM 839 CA PRO A 58 -9.553 -1.295 -9.325 1.00 0.00 C ATOM 840 C PRO A 58 -8.987 0.109 -9.101 1.00 0.00 C ATOM 841 O PRO A 58 -9.333 0.774 -8.125 1.00 0.00 O ATOM 842 CB PRO A 58 -11.068 -1.312 -9.443 1.00 0.00 C ATOM 843 CG PRO A 58 -11.585 -1.810 -8.102 1.00 0.00 C ATOM 844 CD PRO A 58 -10.412 -2.408 -7.343 1.00 0.00 C ATOM 0 HA PRO A 58 -9.091 -1.635 -10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.454 -0.317 -9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.389 -1.967 -10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.028 -0.991 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.366 -2.556 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.291 -1.938 -6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.556 -3.474 -7.168 1.00 0.00 H new ATOM 852 N VAL A 59 -8.126 0.519 -10.020 1.00 0.00 N ATOM 853 CA VAL A 59 -7.508 1.831 -9.936 1.00 0.00 C ATOM 854 C VAL A 59 -8.433 2.866 -10.580 1.00 0.00 C ATOM 855 O VAL A 59 -8.080 4.041 -10.680 1.00 0.00 O ATOM 856 CB VAL A 59 -6.116 1.797 -10.569 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.408 3.144 -10.411 1.00 0.00 C ATOM 858 CG2 VAL A 59 -5.275 0.662 -9.982 1.00 0.00 C ATOM 0 H VAL A 59 -7.841 -0.035 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.368 2.121 -8.895 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.237 1.607 -11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.421 3.092 -10.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.994 3.923 -10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.304 3.378 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.290 0.660 -10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.167 0.808 -8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.768 -0.292 -10.171 1.00 0.00 H new ATOM 868 N SER A 60 -9.597 2.394 -11.000 1.00 0.00 N ATOM 869 CA SER A 60 -10.574 3.265 -11.631 1.00 0.00 C ATOM 870 C SER A 60 -10.877 4.458 -10.722 1.00 0.00 C ATOM 871 O SER A 60 -10.985 5.590 -11.192 1.00 0.00 O ATOM 872 CB SER A 60 -11.862 2.504 -11.955 1.00 0.00 C ATOM 873 OG SER A 60 -12.052 1.386 -11.093 1.00 0.00 O ATOM 0 H SER A 60 -9.886 1.419 -10.916 1.00 0.00 H new ATOM 0 HA SER A 60 -10.153 3.629 -12.568 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.714 3.179 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.831 2.163 -12.990 1.00 0.00 H new ATOM 0 HG SER A 60 -12.885 0.928 -11.330 1.00 0.00 H new ATOM 879 N GLU A 61 -11.005 4.165 -9.437 1.00 0.00 N ATOM 880 CA GLU A 61 -11.292 5.198 -8.457 1.00 0.00 C ATOM 881 C GLU A 61 -11.515 4.577 -7.077 1.00 0.00 C ATOM 882 O GLU A 61 -12.479 4.912 -6.390 1.00 0.00 O ATOM 883 CB GLU A 61 -12.501 6.036 -8.883 1.00 0.00 C ATOM 884 CG GLU A 61 -12.213 7.531 -8.731 1.00 0.00 C ATOM 885 CD GLU A 61 -13.348 8.370 -9.319 1.00 0.00 C ATOM 886 OE1 GLU A 61 -14.432 8.376 -8.696 1.00 0.00 O ATOM 887 OE2 GLU A 61 -13.107 8.988 -10.379 1.00 0.00 O ATOM 0 H GLU A 61 -10.915 3.225 -9.051 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.431 5.863 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.754 5.814 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.367 5.765 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.084 7.775 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.277 7.777 -9.232 1.00 0.00 H new ATOM 894 N PHE A 62 -10.609 3.682 -6.713 1.00 0.00 N ATOM 895 CA PHE A 62 -10.694 3.010 -5.428 1.00 0.00 C ATOM 896 C PHE A 62 -10.817 4.022 -4.287 1.00 0.00 C ATOM 897 O PHE A 62 -11.004 5.214 -4.527 1.00 0.00 O ATOM 898 CB PHE A 62 -9.398 2.215 -5.251 1.00 0.00 C ATOM 899 CG PHE A 62 -8.141 2.969 -5.690 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.878 4.204 -5.184 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.288 2.405 -6.586 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.711 4.903 -5.591 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.122 3.106 -6.994 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.858 4.340 -6.487 1.00 0.00 C ATOM 0 H PHE A 62 -9.812 3.406 -7.286 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.573 2.366 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.295 1.937 -4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.471 1.289 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.556 4.652 -4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.497 1.424 -6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.501 5.883 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.445 2.659 -7.707 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.971 4.872 -6.796 1.00 0.00 H new ATOM 914 N ASP A 63 -10.708 3.510 -3.070 1.00 0.00 N ATOM 915 CA ASP A 63 -10.804 4.354 -1.892 1.00 0.00 C ATOM 916 C ASP A 63 -9.399 4.754 -1.439 1.00 0.00 C ATOM 917 O ASP A 63 -8.788 4.069 -0.621 1.00 0.00 O ATOM 918 CB ASP A 63 -11.480 3.612 -0.736 1.00 0.00 C ATOM 919 CG ASP A 63 -11.778 2.136 -1.003 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.863 1.455 -1.515 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.913 1.720 -0.687 1.00 0.00 O ATOM 0 H ASP A 63 -10.554 2.521 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.396 5.231 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.843 3.685 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.415 4.118 -0.496 1.00 0.00 H new ATOM 926 N ARG A 64 -8.926 5.862 -1.992 1.00 0.00 N ATOM 927 CA ARG A 64 -7.603 6.361 -1.655 1.00 0.00 C ATOM 928 C ARG A 64 -7.397 6.337 -0.139 1.00 0.00 C ATOM 929 O ARG A 64 -6.273 6.176 0.336 1.00 0.00 O ATOM 930 CB ARG A 64 -7.407 7.789 -2.167 1.00 0.00 C ATOM 931 CG ARG A 64 -8.732 8.555 -2.179 1.00 0.00 C ATOM 932 CD ARG A 64 -8.543 9.985 -1.666 1.00 0.00 C ATOM 933 NE ARG A 64 -9.474 10.248 -0.546 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.740 10.656 -0.702 1.00 0.00 C ATOM 935 NH1 ARG A 64 -11.236 10.849 -1.933 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.513 10.869 0.371 1.00 0.00 N ATOM 0 H ARG A 64 -9.435 6.428 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.871 5.711 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.688 8.310 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.988 7.764 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.134 8.578 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.462 8.036 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.514 10.129 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.721 10.696 -2.473 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.130 10.110 0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.649 10.685 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.200 11.160 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.137 10.720 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.477 11.180 0.251 1.00 0.00 H new ATOM 950 N LYS A 65 -8.500 6.499 0.579 1.00 0.00 N ATOM 951 CA LYS A 65 -8.453 6.499 2.031 1.00 0.00 C ATOM 952 C LYS A 65 -7.913 5.152 2.519 1.00 0.00 C ATOM 953 O LYS A 65 -7.224 5.088 3.536 1.00 0.00 O ATOM 954 CB LYS A 65 -9.822 6.858 2.611 1.00 0.00 C ATOM 955 CG LYS A 65 -10.047 6.166 3.957 1.00 0.00 C ATOM 956 CD LYS A 65 -9.182 6.796 5.049 1.00 0.00 C ATOM 957 CE LYS A 65 -9.719 8.172 5.448 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.768 8.038 6.484 1.00 0.00 N ATOM 0 H LYS A 65 -9.430 6.631 0.182 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.768 7.267 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.895 7.938 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.605 6.565 1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.099 6.237 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.812 5.105 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.159 6.143 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.155 6.891 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.905 8.792 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.126 8.678 4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.122 8.981 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.552 7.464 6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.368 7.575 7.325 1.00 0.00 H new ATOM 972 N GLU A 66 -8.245 4.111 1.770 1.00 0.00 N ATOM 973 CA GLU A 66 -7.802 2.770 2.114 1.00 0.00 C ATOM 974 C GLU A 66 -6.433 2.487 1.491 1.00 0.00 C ATOM 975 O GLU A 66 -5.690 1.637 1.976 1.00 0.00 O ATOM 976 CB GLU A 66 -8.830 1.724 1.678 1.00 0.00 C ATOM 977 CG GLU A 66 -8.347 0.311 2.007 1.00 0.00 C ATOM 978 CD GLU A 66 -9.527 -0.653 2.150 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.500 -0.474 1.385 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.430 -1.546 3.019 1.00 0.00 O ATOM 0 H GLU A 66 -8.815 4.169 0.926 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.706 2.707 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.780 1.913 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.010 1.810 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.679 -0.041 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.771 0.326 2.932 1.00 0.00 H new ATOM 987 N TRP A 67 -6.143 3.216 0.423 1.00 0.00 N ATOM 988 CA TRP A 67 -4.878 3.056 -0.272 1.00 0.00 C ATOM 989 C TRP A 67 -3.998 4.263 0.059 1.00 0.00 C ATOM 990 O TRP A 67 -3.076 4.587 -0.687 1.00 0.00 O ATOM 991 CB TRP A 67 -5.097 2.870 -1.774 1.00 0.00 C ATOM 992 CG TRP A 67 -6.081 1.753 -2.127 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.371 1.867 -2.470 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.800 0.338 -2.156 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.941 0.634 -2.718 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.954 -0.326 -2.520 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.610 -0.360 -1.884 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.032 -1.717 -2.647 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.704 -1.751 -2.014 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.859 -2.433 -2.380 1.00 0.00 C ATOM 0 H TRP A 67 -6.763 3.919 0.022 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.368 2.153 0.062 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.460 3.807 -2.196 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.138 2.658 -2.247 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.899 2.806 -2.543 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.907 0.459 -2.995 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.695 0.138 -1.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.948 -2.212 -2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.817 -2.335 -1.816 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.851 -3.510 -2.458 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.316 4.896 1.179 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.566 6.061 1.619 1.00 0.00 C ATOM 1013 C ASP A 68 -2.484 5.623 2.608 1.00 0.00 C ATOM 1014 O ASP A 68 -1.367 6.135 2.580 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.476 7.066 2.327 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.781 7.945 3.369 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.747 8.545 3.007 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.301 7.996 4.504 1.00 0.00 O ATOM 0 H ASP A 68 -5.082 4.624 1.795 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.126 6.531 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.933 7.711 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.284 6.521 2.814 1.00 0.00 H new ATOM 1023 N THR A 69 -2.856 4.678 3.461 1.00 0.00 N ATOM 1024 CA THR A 69 -1.931 4.166 4.458 1.00 0.00 C ATOM 1025 C THR A 69 -1.567 2.712 4.150 1.00 0.00 C ATOM 1026 O THR A 69 -2.257 2.046 3.380 1.00 0.00 O ATOM 1027 CB THR A 69 -2.570 4.353 5.835 1.00 0.00 C ATOM 1028 OG1 THR A 69 -3.923 3.944 5.650 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.678 5.826 6.235 1.00 0.00 C ATOM 0 H THR A 69 -3.784 4.255 3.482 1.00 0.00 H new ATOM 0 HA THR A 69 -0.989 4.715 4.443 1.00 0.00 H new ATOM 0 HB THR A 69 -1.985 3.815 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.155 3.268 6.320 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.138 5.903 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.683 6.269 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.290 6.357 5.506 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.456 2.251 4.783 1.00 0.00 N ATOM 1038 CA PRO A 70 0.008 0.889 4.584 1.00 0.00 C ATOM 1039 C PRO A 70 -0.877 -0.106 5.337 1.00 0.00 C ATOM 1040 O PRO A 70 -1.065 -1.237 4.890 1.00 0.00 O ATOM 1041 CB PRO A 70 1.449 0.890 5.070 1.00 0.00 C ATOM 1042 CG PRO A 70 1.592 2.122 5.949 1.00 0.00 C ATOM 1043 CD PRO A 70 0.385 3.012 5.702 1.00 0.00 C ATOM 0 HA PRO A 70 -0.046 0.573 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.673 -0.018 5.631 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.144 0.926 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.648 1.837 7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.514 2.654 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.142 3.232 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.680 3.968 5.269 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.394 0.349 6.469 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.254 -0.488 7.289 1.00 0.00 C ATOM 1053 C ASN A 71 -3.560 -0.759 6.538 1.00 0.00 C ATOM 1054 O ASN A 71 -3.959 -1.911 6.376 1.00 0.00 O ATOM 1055 CB ASN A 71 -2.602 0.204 8.607 1.00 0.00 C ATOM 1056 CG ASN A 71 -3.882 -0.377 9.211 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -4.103 -1.576 9.227 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -4.711 0.538 9.707 1.00 0.00 N ATOM 0 H ASN A 71 -1.234 1.286 6.838 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.721 -1.415 7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.778 0.088 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.728 1.273 8.438 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.592 0.250 10.133 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.465 1.527 9.662 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.189 0.322 6.101 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.442 0.215 5.372 1.00 0.00 C ATOM 1067 C LYS A 72 -5.253 -0.720 4.176 1.00 0.00 C ATOM 1068 O LYS A 72 -6.176 -1.433 3.789 1.00 0.00 O ATOM 1069 CB LYS A 72 -5.960 1.604 4.991 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.014 2.088 5.989 1.00 0.00 C ATOM 1071 CD LYS A 72 -6.741 3.531 6.416 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.027 4.217 6.883 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.565 3.545 8.087 1.00 0.00 N ATOM 0 H LYS A 72 -3.855 1.276 6.237 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.214 -0.226 6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.130 2.310 4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.389 1.574 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.005 2.019 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.016 1.440 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.005 3.543 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.311 4.086 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.827 5.266 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.769 4.194 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.335 4.117 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.931 2.607 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.808 3.438 8.792 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.048 -0.686 3.624 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.726 -1.522 2.479 1.00 0.00 C ATOM 1089 C ILE A 73 -3.405 -2.938 2.961 1.00 0.00 C ATOM 1090 O ILE A 73 -3.892 -3.916 2.397 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.609 -0.887 1.650 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.083 0.413 0.995 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -2.056 -1.878 0.623 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.971 1.038 0.149 1.00 0.00 C ATOM 0 H ILE A 73 -3.284 -0.093 3.948 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.583 -1.599 1.810 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.790 -0.629 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.952 0.213 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.399 1.118 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.263 -1.401 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.655 -2.751 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.856 -2.189 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.334 1.960 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.112 1.259 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.674 0.340 -0.634 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.585 -3.003 4.001 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.193 -4.283 4.565 1.00 0.00 C ATOM 1108 C ILE A 74 -3.447 -5.099 4.889 1.00 0.00 C ATOM 1109 O ILE A 74 -3.386 -6.323 4.990 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.267 -4.077 5.766 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.196 -4.003 5.324 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.491 -5.161 6.824 1.00 0.00 C ATOM 1113 CD1 ILE A 74 1.100 -3.587 6.486 1.00 0.00 C ATOM 0 H ILE A 74 -2.182 -2.190 4.467 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.616 -4.858 3.840 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.514 -3.121 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.513 -4.973 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.297 -3.289 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.821 -4.991 7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.524 -5.124 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.288 -6.140 6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.134 -3.542 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.795 -2.606 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.015 -4.316 7.292 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.554 -4.387 5.041 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.820 -5.030 5.350 1.00 0.00 C ATOM 1127 C ALA A 75 -6.540 -5.381 4.047 1.00 0.00 C ATOM 1128 O ALA A 75 -7.371 -6.288 4.017 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.653 -4.113 6.248 1.00 0.00 C ATOM 0 H ALA A 75 -4.601 -3.372 4.956 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.655 -5.959 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.603 -4.595 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.110 -3.918 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.841 -3.171 5.732 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.196 -4.644 3.000 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.800 -4.866 1.698 1.00 0.00 C ATOM 1137 C LYS A 76 -6.344 -6.221 1.153 1.00 0.00 C ATOM 1138 O LYS A 76 -7.149 -6.981 0.615 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.499 -3.695 0.761 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.682 -2.727 0.694 1.00 0.00 C ATOM 1141 CD LYS A 76 -8.954 -3.448 0.244 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.804 -2.549 -0.656 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.234 -2.921 -0.559 1.00 0.00 N ATOM 0 H LYS A 76 -5.507 -3.893 3.028 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.886 -4.905 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.611 -3.166 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.276 -4.072 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.843 -2.275 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.455 -1.916 0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.689 -4.360 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.534 -3.748 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.673 -1.506 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.468 -2.637 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.797 -2.301 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.356 -3.910 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.555 -2.814 0.425 1.00 0.00 H new ATOM 1157 N VAL A 77 -5.055 -6.484 1.312 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.483 -7.735 0.843 1.00 0.00 C ATOM 1159 C VAL A 77 -5.140 -8.901 1.585 1.00 0.00 C ATOM 1160 O VAL A 77 -5.497 -9.907 0.974 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.961 -7.706 1.002 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -2.382 -9.122 0.990 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.314 -6.839 -0.079 1.00 0.00 C ATOM 0 H VAL A 77 -4.391 -5.852 1.759 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.683 -7.872 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.733 -7.260 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.299 -9.073 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.808 -9.696 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.625 -9.607 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.232 -6.835 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.555 -7.243 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.693 -5.820 -0.003 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.278 -8.727 2.891 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.886 -9.752 3.722 1.00 0.00 C ATOM 1175 C GLU A 78 -7.364 -9.920 3.364 1.00 0.00 C ATOM 1176 O GLU A 78 -7.895 -11.028 3.408 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.715 -9.426 5.207 1.00 0.00 C ATOM 1178 CG GLU A 78 -4.245 -9.509 5.623 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.865 -10.941 6.010 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.121 -11.840 5.181 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.329 -11.102 7.127 1.00 0.00 O ATOM 0 H GLU A 78 -4.979 -7.892 3.394 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.377 -10.697 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.098 -8.426 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.305 -10.120 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.612 -9.170 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.063 -8.840 6.464 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.986 -8.802 3.016 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.391 -8.811 2.651 1.00 0.00 C ATOM 1190 C GLN A 79 -9.546 -8.947 1.135 1.00 0.00 C ATOM 1191 O GLN A 79 -10.524 -8.471 0.561 1.00 0.00 O ATOM 1192 CB GLN A 79 -10.100 -7.555 3.163 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.659 -7.776 4.571 1.00 0.00 C ATOM 1194 CD GLN A 79 -9.593 -7.495 5.633 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -9.325 -6.205 5.803 1.00 0.00 O flip ATOM 1196 NE2 GLN A 79 -9.052 -8.393 6.257 1.00 0.00 N flip ATOM 0 H GLN A 79 -7.542 -7.885 2.980 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.862 -9.673 3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.402 -6.717 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.910 -7.288 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.518 -7.125 4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.014 -8.802 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.306 -9.364 6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.346 -8.172 6.960 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.564 -9.598 0.529 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.576 -9.803 -0.910 1.00 0.00 C ATOM 1207 C ALA A 80 -8.402 -11.293 -1.210 1.00 0.00 C ATOM 1208 O ALA A 80 -9.128 -11.854 -2.031 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.487 -8.946 -1.558 1.00 0.00 C ATOM 0 H ALA A 80 -7.754 -9.991 1.009 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.530 -9.491 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.497 -9.100 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.674 -7.894 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.514 -9.232 -1.159 1.00 0.00 H new ATOM 1215 N GLN A 81 -7.435 -11.892 -0.531 1.00 0.00 N ATOM 1216 CA GLN A 81 -7.156 -13.306 -0.715 1.00 0.00 C ATOM 1217 C GLN A 81 -8.456 -14.111 -0.689 1.00 0.00 C ATOM 1218 O GLN A 81 -9.268 -13.958 0.223 1.00 0.00 O ATOM 1219 CB GLN A 81 -6.175 -13.814 0.343 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.829 -13.092 0.235 1.00 0.00 C ATOM 1221 CD GLN A 81 -4.273 -13.180 -1.188 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -3.574 -14.111 -1.552 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -4.622 -12.162 -1.969 1.00 0.00 N ATOM 0 H GLN A 81 -6.835 -11.424 0.148 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.688 -13.440 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.595 -13.661 1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.027 -14.887 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.949 -12.046 0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.119 -13.532 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.210 -11.415 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.302 -12.129 -2.937 1.00 0.00 H new