USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= -1.88! K(o=-0.8!,f=0.094) USER MOD Set 1.2: A 74 SER OG : rot 129:sc= 1.08 USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= 0.801 (180deg=-0.639!) USER MOD Single : A 8 GLN : amide:sc= -3.01! K(o=-3!,f=-1.3) USER MOD Single : A 11 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.05) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0.962 (180deg=0.96) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 27 THR OG1 : rot 160:sc= -0.684 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.394 K(o=-0.39,f=-3.4!) USER MOD Single : A 34 ASN : amide:sc= -0.396 K(o=-0.4,f=-2) USER MOD Single : A 40 HIS : no HD1:sc= 0.803 K(o=0.8,f=-4!) USER MOD Single : A 41 THR OG1 : rot -170:sc= -1.1 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -125:sc= 0.229 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.122) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= 1.21 (180deg=0.518) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.023) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 111:sc= 0.531 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 135:sc= -0.521 (180deg=-1.02) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 93:sc= 1.27 USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.01! K(o=-2!,f=-0.048) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.518 1.002 -6.741 1.00 0.00 N ATOM 65 CA GLU A 5 16.028 -0.341 -7.004 1.00 0.00 C ATOM 66 C GLU A 5 14.757 -0.616 -6.218 1.00 0.00 C ATOM 67 O GLU A 5 14.598 -0.157 -5.084 1.00 0.00 O ATOM 68 CB GLU A 5 17.101 -1.369 -6.648 1.00 0.00 C ATOM 69 CG GLU A 5 17.751 -1.116 -5.298 1.00 0.00 C ATOM 70 CD GLU A 5 18.779 -2.161 -4.936 1.00 0.00 C ATOM 71 OE1 GLU A 5 19.941 -2.039 -5.371 1.00 0.00 O ATOM 72 OE2 GLU A 5 18.427 -3.105 -4.200 1.00 0.00 O ATOM 0 HA GLU A 5 15.797 -0.421 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.656 -2.364 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.870 -1.364 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.225 -0.135 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.980 -1.090 -4.528 1.00 0.00 H new ATOM 79 N ILE A 6 13.854 -1.364 -6.826 1.00 0.00 N ATOM 80 CA ILE A 6 12.593 -1.698 -6.190 1.00 0.00 C ATOM 81 C ILE A 6 12.707 -3.012 -5.427 1.00 0.00 C ATOM 82 O ILE A 6 12.961 -4.065 -6.018 1.00 0.00 O ATOM 83 CB ILE A 6 11.450 -1.812 -7.223 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.354 -0.530 -8.059 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.125 -2.097 -6.523 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.280 -0.574 -9.128 1.00 0.00 C ATOM 0 H ILE A 6 13.971 -1.752 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 6 12.360 -0.890 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 6 11.670 -2.643 -7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.158 0.312 -7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.318 -0.344 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.331 -2.174 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.199 -3.034 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.897 -1.286 -5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.274 0.368 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.485 -1.394 -9.817 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.307 -0.728 -8.661 1.00 0.00 H new ATOM 98 N LYS A 7 12.544 -2.942 -4.116 1.00 0.00 N ATOM 99 CA LYS A 7 12.494 -4.138 -3.293 1.00 0.00 C ATOM 100 C LYS A 7 11.091 -4.729 -3.335 1.00 0.00 C ATOM 101 O LYS A 7 10.119 -4.063 -2.973 1.00 0.00 O ATOM 102 CB LYS A 7 12.869 -3.827 -1.842 1.00 0.00 C ATOM 103 CG LYS A 7 14.347 -3.983 -1.502 1.00 0.00 C ATOM 104 CD LYS A 7 15.204 -2.847 -2.040 1.00 0.00 C ATOM 105 CE LYS A 7 16.581 -2.862 -1.390 1.00 0.00 C ATOM 106 NZ LYS A 7 17.493 -1.837 -1.957 1.00 0.00 N ATOM 0 H LYS A 7 12.444 -2.068 -3.599 1.00 0.00 H new ATOM 0 HA LYS A 7 13.214 -4.854 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.568 -2.804 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.292 -4.480 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.461 -4.036 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.710 -4.928 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.305 -2.941 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.715 -1.892 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.474 -2.695 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.027 -3.849 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.075 -1.431 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.111 -2.277 -2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.933 -1.083 -2.404 1.00 0.00 H new ATOM 120 N GLN A 8 10.985 -5.965 -3.792 1.00 0.00 N ATOM 121 CA GLN A 8 9.702 -6.643 -3.831 1.00 0.00 C ATOM 122 C GLN A 8 9.533 -7.491 -2.577 1.00 0.00 C ATOM 123 O GLN A 8 10.462 -8.179 -2.150 1.00 0.00 O ATOM 124 CB GLN A 8 9.562 -7.510 -5.094 1.00 0.00 C ATOM 125 CG GLN A 8 10.457 -8.746 -5.133 1.00 0.00 C ATOM 126 CD GLN A 8 11.914 -8.431 -5.421 1.00 0.00 C ATOM 127 OE1 GLN A 8 12.816 -9.127 -4.950 1.00 0.00 O ATOM 128 NE2 GLN A 8 12.160 -7.398 -6.210 1.00 0.00 N ATOM 0 H GLN A 8 11.769 -6.517 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 8 8.915 -5.889 -3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.524 -7.829 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.782 -6.893 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.388 -9.265 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.084 -9.431 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.388 -6.845 -6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.122 -7.155 -6.447 1.00 0.00 H new ATOM 137 N GLY A 9 8.357 -7.424 -1.979 1.00 0.00 N ATOM 138 CA GLY A 9 8.104 -8.178 -0.775 1.00 0.00 C ATOM 139 C GLY A 9 6.637 -8.472 -0.577 1.00 0.00 C ATOM 140 O GLY A 9 5.821 -8.209 -1.463 1.00 0.00 O ATOM 0 H GLY A 9 7.573 -6.860 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.658 -9.116 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.479 -7.622 0.084 1.00 0.00 H new ATOM 144 N GLU A 10 6.315 -9.018 0.589 1.00 0.00 N ATOM 145 CA GLU A 10 4.949 -9.381 0.947 1.00 0.00 C ATOM 146 C GLU A 10 3.989 -8.201 0.787 1.00 0.00 C ATOM 147 O GLU A 10 3.941 -7.306 1.635 1.00 0.00 O ATOM 148 CB GLU A 10 4.913 -9.889 2.389 1.00 0.00 C ATOM 149 CG GLU A 10 3.555 -10.411 2.822 1.00 0.00 C ATOM 150 CD GLU A 10 3.503 -10.718 4.302 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.061 -11.752 4.721 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.915 -9.917 5.058 1.00 0.00 O ATOM 0 H GLU A 10 6.999 -9.223 1.318 1.00 0.00 H new ATOM 0 HA GLU A 10 4.622 -10.169 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.650 -10.684 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.211 -9.080 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.790 -9.673 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.318 -11.313 2.258 1.00 0.00 H new ATOM 159 N ASN A 11 3.264 -8.197 -0.333 1.00 0.00 N ATOM 160 CA ASN A 11 2.208 -7.215 -0.603 1.00 0.00 C ATOM 161 C ASN A 11 2.738 -5.786 -0.681 1.00 0.00 C ATOM 162 O ASN A 11 1.957 -4.833 -0.639 1.00 0.00 O ATOM 163 CB ASN A 11 1.106 -7.294 0.465 1.00 0.00 C ATOM 164 CG ASN A 11 0.239 -8.531 0.338 1.00 0.00 C ATOM 165 OD1 ASN A 11 -0.229 -9.081 1.337 1.00 0.00 O ATOM 166 ND2 ASN A 11 -0.002 -8.968 -0.888 1.00 0.00 N ATOM 0 H ASN A 11 3.392 -8.877 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 11 1.795 -7.469 -1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.565 -7.280 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.476 -6.408 0.394 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.593 -9.787 -1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.403 -8.486 -1.690 1.00 0.00 H new ATOM 173 N LYS A 12 4.048 -5.623 -0.819 1.00 0.00 N ATOM 174 CA LYS A 12 4.621 -4.289 -0.858 1.00 0.00 C ATOM 175 C LYS A 12 5.776 -4.194 -1.844 1.00 0.00 C ATOM 176 O LYS A 12 6.583 -5.114 -1.976 1.00 0.00 O ATOM 177 CB LYS A 12 5.093 -3.845 0.535 1.00 0.00 C ATOM 178 CG LYS A 12 6.316 -4.588 1.056 1.00 0.00 C ATOM 179 CD LYS A 12 6.915 -3.887 2.269 1.00 0.00 C ATOM 180 CE LYS A 12 6.129 -4.164 3.539 1.00 0.00 C ATOM 181 NZ LYS A 12 6.586 -5.406 4.217 1.00 0.00 N ATOM 0 H LYS A 12 4.721 -6.385 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 12 3.829 -3.620 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.317 -2.779 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.274 -3.979 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.038 -5.608 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.065 -4.658 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.946 -4.215 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.943 -2.812 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.232 -3.320 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.070 -4.251 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.013 -5.567 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.480 -6.214 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.586 -5.307 4.486 1.00 0.00 H new ATOM 195 N PHE A 13 5.818 -3.076 -2.549 1.00 0.00 N ATOM 196 CA PHE A 13 6.962 -2.714 -3.370 1.00 0.00 C ATOM 197 C PHE A 13 7.500 -1.383 -2.871 1.00 0.00 C ATOM 198 O PHE A 13 6.764 -0.396 -2.815 1.00 0.00 O ATOM 199 CB PHE A 13 6.578 -2.594 -4.851 1.00 0.00 C ATOM 200 CG PHE A 13 6.083 -3.871 -5.471 1.00 0.00 C ATOM 201 CD1 PHE A 13 6.839 -5.031 -5.410 1.00 0.00 C ATOM 202 CD2 PHE A 13 4.858 -3.910 -6.117 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.385 -6.203 -5.984 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.399 -5.079 -6.695 1.00 0.00 C ATOM 205 CZ PHE A 13 5.163 -6.227 -6.626 1.00 0.00 C ATOM 0 H PHE A 13 5.060 -2.393 -2.569 1.00 0.00 H new ATOM 0 HA PHE A 13 7.718 -3.495 -3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.805 -1.832 -4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.445 -2.245 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.795 -5.019 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.254 -3.016 -6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.985 -7.099 -5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.444 -5.094 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.805 -7.142 -7.074 1.00 0.00 H new ATOM 215 N TYR A 14 8.759 -1.346 -2.484 1.00 0.00 N ATOM 216 CA TYR A 14 9.313 -0.140 -1.893 1.00 0.00 C ATOM 217 C TYR A 14 10.716 0.147 -2.394 1.00 0.00 C ATOM 218 O TYR A 14 11.495 -0.768 -2.672 1.00 0.00 O ATOM 219 CB TYR A 14 9.308 -0.235 -0.361 1.00 0.00 C ATOM 220 CG TYR A 14 10.088 -1.400 0.209 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.550 -2.679 0.220 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.354 -1.215 0.753 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.248 -3.742 0.752 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.062 -2.276 1.285 1.00 0.00 C ATOM 225 CZ TYR A 14 11.502 -3.538 1.285 1.00 0.00 C ATOM 226 OH TYR A 14 12.201 -4.600 1.816 1.00 0.00 O ATOM 0 H TYR A 14 9.412 -2.125 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 14 8.676 0.689 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.715 0.690 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.275 -0.306 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.567 -2.845 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.791 -0.227 0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.814 -4.731 0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.047 -2.119 1.698 1.00 0.00 H new ATOM 0 HH TYR A 14 13.068 -4.287 2.149 1.00 0.00 H new ATOM 236 N ILE A 15 11.025 1.426 -2.518 1.00 0.00 N ATOM 237 CA ILE A 15 12.363 1.851 -2.867 1.00 0.00 C ATOM 238 C ILE A 15 13.009 2.541 -1.677 1.00 0.00 C ATOM 239 O ILE A 15 12.495 3.541 -1.149 1.00 0.00 O ATOM 240 CB ILE A 15 12.388 2.770 -4.109 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.900 1.995 -5.337 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.793 3.317 -4.344 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.866 2.812 -6.609 1.00 0.00 C ATOM 0 H ILE A 15 10.362 2.189 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 15 12.934 0.960 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 15 11.721 3.615 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.548 1.132 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.899 1.611 -5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.790 3.962 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.110 3.891 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.484 2.489 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.510 2.191 -7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.195 3.661 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.869 3.174 -6.836 1.00 0.00 H new ATOM 255 N GLY A 16 14.114 1.963 -1.246 1.00 0.00 N ATOM 256 CA GLY A 16 14.844 2.444 -0.101 1.00 0.00 C ATOM 257 C GLY A 16 15.870 1.419 0.317 1.00 0.00 C ATOM 258 O GLY A 16 15.921 0.331 -0.263 1.00 0.00 O ATOM 0 H GLY A 16 14.528 1.142 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.335 3.387 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.158 2.642 0.722 1.00 0.00 H new ATOM 262 N ASP A 17 16.687 1.743 1.304 1.00 0.00 N ATOM 263 CA ASP A 17 17.712 0.813 1.756 1.00 0.00 C ATOM 264 C ASP A 17 17.157 -0.095 2.850 1.00 0.00 C ATOM 265 O ASP A 17 17.585 -1.242 3.004 1.00 0.00 O ATOM 266 CB ASP A 17 18.941 1.580 2.251 1.00 0.00 C ATOM 267 CG ASP A 17 20.097 0.671 2.606 1.00 0.00 C ATOM 268 OD1 ASP A 17 20.512 -0.138 1.748 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.604 0.771 3.742 1.00 0.00 O ATOM 0 H ASP A 17 16.664 2.632 1.804 1.00 0.00 H new ATOM 0 HA ASP A 17 18.016 0.187 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.260 2.282 1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.667 2.170 3.126 1.00 0.00 H new ATOM 274 N ASP A 18 16.180 0.419 3.586 1.00 0.00 N ATOM 275 CA ASP A 18 15.506 -0.347 4.629 1.00 0.00 C ATOM 276 C ASP A 18 14.007 -0.062 4.573 1.00 0.00 C ATOM 277 O ASP A 18 13.583 0.880 3.903 1.00 0.00 O ATOM 278 CB ASP A 18 16.069 0.029 6.007 1.00 0.00 C ATOM 279 CG ASP A 18 15.606 -0.900 7.116 1.00 0.00 C ATOM 280 OD1 ASP A 18 14.494 -0.700 7.644 1.00 0.00 O ATOM 281 OD2 ASP A 18 16.357 -1.834 7.466 1.00 0.00 O ATOM 0 H ASP A 18 15.833 1.372 3.479 1.00 0.00 H new ATOM 0 HA ASP A 18 15.676 -1.411 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.158 0.017 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.771 1.049 6.248 1.00 0.00 H new ATOM 286 N GLU A 19 13.207 -0.871 5.261 1.00 0.00 N ATOM 287 CA GLU A 19 11.763 -0.664 5.298 1.00 0.00 C ATOM 288 C GLU A 19 11.415 0.542 6.165 1.00 0.00 C ATOM 289 O GLU A 19 10.406 1.204 5.936 1.00 0.00 O ATOM 290 CB GLU A 19 11.032 -1.907 5.821 1.00 0.00 C ATOM 291 CG GLU A 19 11.185 -3.131 4.935 1.00 0.00 C ATOM 292 CD GLU A 19 10.283 -4.276 5.358 1.00 0.00 C ATOM 293 OE1 GLU A 19 10.596 -4.948 6.362 1.00 0.00 O ATOM 294 OE2 GLU A 19 9.258 -4.515 4.684 1.00 0.00 O ATOM 0 H GLU A 19 13.533 -1.674 5.799 1.00 0.00 H new ATOM 0 HA GLU A 19 11.434 -0.477 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.405 -2.143 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.972 -1.676 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.960 -2.859 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.223 -3.464 4.958 1.00 0.00 H new ATOM 301 N ASN A 20 12.261 0.827 7.156 1.00 0.00 N ATOM 302 CA ASN A 20 12.027 1.945 8.070 1.00 0.00 C ATOM 303 C ASN A 20 12.140 3.273 7.339 1.00 0.00 C ATOM 304 O ASN A 20 11.236 4.103 7.393 1.00 0.00 O ATOM 305 CB ASN A 20 13.026 1.937 9.232 1.00 0.00 C ATOM 306 CG ASN A 20 12.931 0.697 10.099 1.00 0.00 C ATOM 307 OD1 ASN A 20 11.874 0.077 10.216 1.00 0.00 O ATOM 308 ND2 ASN A 20 14.039 0.335 10.721 1.00 0.00 N ATOM 0 H ASN A 20 13.113 0.300 7.346 1.00 0.00 H new ATOM 0 HA ASN A 20 11.018 1.826 8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.037 2.015 8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.859 2.818 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.039 -0.486 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.894 0.877 10.597 1.00 0.00 H new ATOM 315 N ASN A 21 13.255 3.466 6.653 1.00 0.00 N ATOM 316 CA ASN A 21 13.511 4.718 5.949 1.00 0.00 C ATOM 317 C ASN A 21 13.186 4.586 4.471 1.00 0.00 C ATOM 318 O ASN A 21 13.831 5.209 3.624 1.00 0.00 O ATOM 319 CB ASN A 21 14.967 5.158 6.127 1.00 0.00 C ATOM 320 CG ASN A 21 15.241 5.756 7.497 1.00 0.00 C ATOM 321 OD1 ASN A 21 14.638 5.365 8.499 1.00 0.00 O ATOM 322 ND2 ASN A 21 16.144 6.722 7.545 1.00 0.00 N ATOM 0 H ASN A 21 13.999 2.773 6.567 1.00 0.00 H new ATOM 0 HA ASN A 21 12.862 5.479 6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 21 15.622 4.300 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.216 5.891 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.363 7.172 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.621 7.017 6.693 1.00 0.00 H new ATOM 329 N ALA A 22 12.175 3.784 4.167 1.00 0.00 N ATOM 330 CA ALA A 22 11.716 3.632 2.799 1.00 0.00 C ATOM 331 C ALA A 22 11.217 4.969 2.270 1.00 0.00 C ATOM 332 O ALA A 22 10.246 5.527 2.783 1.00 0.00 O ATOM 333 CB ALA A 22 10.624 2.576 2.709 1.00 0.00 C ATOM 0 H ALA A 22 11.659 3.230 4.851 1.00 0.00 H new ATOM 0 HA ALA A 22 12.552 3.300 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.296 2.480 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.014 1.619 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.780 2.872 3.332 1.00 0.00 H new ATOM 339 N LEU A 23 11.900 5.484 1.258 1.00 0.00 N ATOM 340 CA LEU A 23 11.557 6.778 0.688 1.00 0.00 C ATOM 341 C LEU A 23 10.164 6.732 0.084 1.00 0.00 C ATOM 342 O LEU A 23 9.427 7.718 0.121 1.00 0.00 O ATOM 343 CB LEU A 23 12.584 7.189 -0.368 1.00 0.00 C ATOM 344 CG LEU A 23 14.012 7.349 0.153 1.00 0.00 C ATOM 345 CD1 LEU A 23 14.955 7.704 -0.984 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.070 8.407 1.247 1.00 0.00 C ATOM 0 H LEU A 23 12.696 5.025 0.815 1.00 0.00 H new ATOM 0 HA LEU A 23 11.568 7.522 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.584 6.444 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.268 8.132 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 23 14.330 6.398 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.968 7.814 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.937 6.911 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.637 8.641 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.095 8.505 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.732 9.363 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.425 8.111 2.074 1.00 0.00 H new ATOM 358 N ALA A 24 9.812 5.580 -0.472 1.00 0.00 N ATOM 359 CA ALA A 24 8.465 5.367 -0.975 1.00 0.00 C ATOM 360 C ALA A 24 8.116 3.889 -0.985 1.00 0.00 C ATOM 361 O ALA A 24 8.834 3.080 -1.578 1.00 0.00 O ATOM 362 CB ALA A 24 8.322 5.954 -2.370 1.00 0.00 C ATOM 0 H ALA A 24 10.439 4.783 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 24 7.769 5.876 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.308 5.787 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.523 7.025 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.032 5.472 -3.042 1.00 0.00 H new ATOM 368 N GLU A 25 7.028 3.530 -0.314 1.00 0.00 N ATOM 369 CA GLU A 25 6.537 2.160 -0.364 1.00 0.00 C ATOM 370 C GLU A 25 5.064 2.132 -0.756 1.00 0.00 C ATOM 371 O GLU A 25 4.270 2.965 -0.309 1.00 0.00 O ATOM 372 CB GLU A 25 6.755 1.420 0.971 1.00 0.00 C ATOM 373 CG GLU A 25 5.784 1.780 2.090 1.00 0.00 C ATOM 374 CD GLU A 25 6.067 3.119 2.734 1.00 0.00 C ATOM 375 OE1 GLU A 25 6.949 3.189 3.613 1.00 0.00 O ATOM 376 OE2 GLU A 25 5.382 4.100 2.390 1.00 0.00 O ATOM 0 H GLU A 25 6.475 4.161 0.265 1.00 0.00 H new ATOM 0 HA GLU A 25 7.114 1.636 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.688 0.348 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.769 1.621 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.770 1.786 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.821 1.004 2.855 1.00 0.00 H new ATOM 383 N ILE A 26 4.712 1.193 -1.619 1.00 0.00 N ATOM 384 CA ILE A 26 3.330 1.008 -2.020 1.00 0.00 C ATOM 385 C ILE A 26 2.868 -0.405 -1.672 1.00 0.00 C ATOM 386 O ILE A 26 3.560 -1.386 -1.956 1.00 0.00 O ATOM 387 CB ILE A 26 3.126 1.287 -3.533 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.663 1.062 -3.931 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.050 0.420 -4.379 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.367 1.372 -5.383 1.00 0.00 C ATOM 0 H ILE A 26 5.368 0.546 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 26 2.725 1.729 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 26 3.378 2.331 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.398 0.024 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.026 1.682 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.886 0.636 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.087 0.635 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.839 -0.632 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.312 1.188 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.599 2.417 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.977 0.734 -6.023 1.00 0.00 H new ATOM 402 N THR A 27 1.716 -0.501 -1.031 1.00 0.00 N ATOM 403 CA THR A 27 1.170 -1.783 -0.638 1.00 0.00 C ATOM 404 C THR A 27 -0.156 -2.026 -1.339 1.00 0.00 C ATOM 405 O THR A 27 -0.983 -1.119 -1.457 1.00 0.00 O ATOM 406 CB THR A 27 0.967 -1.871 0.890 1.00 0.00 C ATOM 407 OG1 THR A 27 0.210 -0.742 1.356 1.00 0.00 O ATOM 408 CG2 THR A 27 2.304 -1.924 1.619 1.00 0.00 C ATOM 0 H THR A 27 1.140 0.300 -0.772 1.00 0.00 H new ATOM 0 HA THR A 27 1.888 -2.549 -0.932 1.00 0.00 H new ATOM 0 HB THR A 27 0.419 -2.789 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.185 -0.950 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.130 -1.986 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.863 -2.800 1.291 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.876 -1.024 1.395 1.00 0.00 H new ATOM 416 N TYR A 28 -0.354 -3.241 -1.808 1.00 0.00 N ATOM 417 CA TYR A 28 -1.588 -3.592 -2.482 1.00 0.00 C ATOM 418 C TYR A 28 -2.090 -4.936 -1.982 1.00 0.00 C ATOM 419 O TYR A 28 -1.305 -5.856 -1.751 1.00 0.00 O ATOM 420 CB TYR A 28 -1.398 -3.615 -4.008 1.00 0.00 C ATOM 421 CG TYR A 28 -0.532 -4.748 -4.522 1.00 0.00 C ATOM 422 CD1 TYR A 28 0.852 -4.666 -4.483 1.00 0.00 C ATOM 423 CD2 TYR A 28 -1.107 -5.901 -5.046 1.00 0.00 C ATOM 424 CE1 TYR A 28 1.639 -5.700 -4.950 1.00 0.00 C ATOM 425 CE2 TYR A 28 -0.327 -6.938 -5.516 1.00 0.00 C ATOM 426 CZ TYR A 28 1.045 -6.833 -5.464 1.00 0.00 C ATOM 427 OH TYR A 28 1.826 -7.868 -5.922 1.00 0.00 O ATOM 0 H TYR A 28 0.322 -4.001 -1.735 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.334 -2.831 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.378 -3.681 -4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.957 -2.668 -4.320 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.321 -3.780 -4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.183 -5.986 -5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.716 -5.622 -4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.789 -7.826 -5.922 1.00 0.00 H new ATOM 0 HH TYR A 28 1.251 -8.591 -6.250 1.00 0.00 H new ATOM 437 N ARG A 29 -3.393 -5.037 -1.790 1.00 0.00 N ATOM 438 CA ARG A 29 -3.998 -6.274 -1.333 1.00 0.00 C ATOM 439 C ARG A 29 -5.126 -6.677 -2.268 1.00 0.00 C ATOM 440 O ARG A 29 -5.875 -5.825 -2.754 1.00 0.00 O ATOM 441 CB ARG A 29 -4.539 -6.124 0.089 1.00 0.00 C ATOM 442 CG ARG A 29 -3.475 -5.806 1.128 1.00 0.00 C ATOM 443 CD ARG A 29 -4.085 -5.679 2.516 1.00 0.00 C ATOM 444 NE ARG A 29 -4.729 -6.923 2.943 1.00 0.00 N ATOM 445 CZ ARG A 29 -6.047 -7.078 3.072 1.00 0.00 C ATOM 446 NH1 ARG A 29 -6.873 -6.075 2.792 1.00 0.00 N ATOM 447 NH2 ARG A 29 -6.543 -8.241 3.482 1.00 0.00 N ATOM 0 H ARG A 29 -4.053 -4.275 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.231 -7.048 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.289 -5.333 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.045 -7.047 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.719 -6.591 1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.970 -4.877 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.308 -5.408 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.817 -4.871 2.519 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.131 -7.722 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.500 -5.180 2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.880 -6.200 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.915 -9.015 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.551 -8.359 3.581 1.00 0.00 H new ATOM 461 N PHE A 30 -5.236 -7.970 -2.518 1.00 0.00 N ATOM 462 CA PHE A 30 -6.315 -8.503 -3.336 1.00 0.00 C ATOM 463 C PHE A 30 -7.601 -8.528 -2.516 1.00 0.00 C ATOM 464 O PHE A 30 -7.710 -9.284 -1.550 1.00 0.00 O ATOM 465 CB PHE A 30 -5.977 -9.918 -3.823 1.00 0.00 C ATOM 466 CG PHE A 30 -4.728 -10.002 -4.660 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.477 -10.087 -4.066 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.807 -10.004 -6.043 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.332 -10.169 -4.833 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.665 -10.089 -6.817 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.426 -10.171 -6.211 1.00 0.00 C ATOM 0 H PHE A 30 -4.588 -8.675 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.448 -7.864 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.865 -10.571 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.816 -10.300 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.398 -10.089 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.773 -9.938 -6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.365 -10.231 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.741 -10.091 -7.894 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.532 -10.237 -6.814 1.00 0.00 H new ATOM 481 N VAL A 31 -8.557 -7.684 -2.875 1.00 0.00 N ATOM 482 CA VAL A 31 -9.801 -7.602 -2.119 1.00 0.00 C ATOM 483 C VAL A 31 -10.776 -8.693 -2.537 1.00 0.00 C ATOM 484 O VAL A 31 -11.386 -9.345 -1.691 1.00 0.00 O ATOM 485 CB VAL A 31 -10.480 -6.218 -2.246 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.721 -5.175 -1.442 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.592 -5.786 -3.701 1.00 0.00 C ATOM 0 H VAL A 31 -8.499 -7.053 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.530 -7.747 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.489 -6.306 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.214 -4.208 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.705 -5.466 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.699 -5.102 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.074 -4.810 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.596 -5.724 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.187 -6.515 -4.252 1.00 0.00 H new ATOM 497 N ASP A 32 -10.901 -8.906 -3.836 1.00 0.00 N ATOM 498 CA ASP A 32 -11.835 -9.893 -4.350 1.00 0.00 C ATOM 499 C ASP A 32 -11.083 -11.001 -5.079 1.00 0.00 C ATOM 500 O ASP A 32 -10.875 -12.085 -4.533 1.00 0.00 O ATOM 501 CB ASP A 32 -12.853 -9.225 -5.273 1.00 0.00 C ATOM 502 CG ASP A 32 -14.011 -10.134 -5.618 1.00 0.00 C ATOM 503 OD1 ASP A 32 -15.018 -10.123 -4.875 1.00 0.00 O ATOM 504 OD2 ASP A 32 -13.930 -10.851 -6.633 1.00 0.00 O ATOM 0 H ASP A 32 -10.369 -8.411 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.374 -10.340 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.234 -8.323 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.355 -8.913 -6.191 1.00 0.00 H new ATOM 509 N ASN A 33 -10.659 -10.725 -6.304 1.00 0.00 N ATOM 510 CA ASN A 33 -9.828 -11.667 -7.044 1.00 0.00 C ATOM 511 C ASN A 33 -8.731 -10.921 -7.784 1.00 0.00 C ATOM 512 O ASN A 33 -7.588 -10.879 -7.334 1.00 0.00 O ATOM 513 CB ASN A 33 -10.667 -12.490 -8.029 1.00 0.00 C ATOM 514 CG ASN A 33 -9.897 -13.650 -8.639 1.00 0.00 C ATOM 515 OD1 ASN A 33 -8.678 -13.606 -8.793 1.00 0.00 O ATOM 516 ND2 ASN A 33 -10.613 -14.699 -9.005 1.00 0.00 N ATOM 0 H ASN A 33 -10.874 -9.863 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 33 -9.375 -12.356 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.547 -12.876 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.024 -11.838 -8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.156 -15.506 -9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.623 -14.702 -8.862 1.00 0.00 H new ATOM 523 N ASN A 34 -9.090 -10.309 -8.904 1.00 0.00 N ATOM 524 CA ASN A 34 -8.126 -9.574 -9.712 1.00 0.00 C ATOM 525 C ASN A 34 -8.150 -8.096 -9.349 1.00 0.00 C ATOM 526 O ASN A 34 -7.373 -7.296 -9.873 1.00 0.00 O ATOM 527 CB ASN A 34 -8.398 -9.765 -11.211 1.00 0.00 C ATOM 528 CG ASN A 34 -9.775 -9.290 -11.644 1.00 0.00 C ATOM 529 OD1 ASN A 34 -9.968 -8.123 -11.973 1.00 0.00 O ATOM 530 ND2 ASN A 34 -10.738 -10.199 -11.678 1.00 0.00 N ATOM 0 H ASN A 34 -10.041 -10.307 -9.274 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.134 -9.971 -9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.641 -9.226 -11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.292 -10.821 -11.459 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.675 -9.938 -11.985 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.542 -11.160 -11.398 1.00 0.00 H new ATOM 537 N GLU A 35 -9.057 -7.742 -8.453 1.00 0.00 N ATOM 538 CA GLU A 35 -9.155 -6.388 -7.947 1.00 0.00 C ATOM 539 C GLU A 35 -8.124 -6.167 -6.846 1.00 0.00 C ATOM 540 O GLU A 35 -8.232 -6.732 -5.753 1.00 0.00 O ATOM 541 CB GLU A 35 -10.560 -6.109 -7.394 1.00 0.00 C ATOM 542 CG GLU A 35 -11.693 -6.275 -8.404 1.00 0.00 C ATOM 543 CD GLU A 35 -12.039 -7.726 -8.698 1.00 0.00 C ATOM 544 OE1 GLU A 35 -11.510 -8.632 -8.015 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.858 -7.969 -9.611 1.00 0.00 O ATOM 0 H GLU A 35 -9.743 -8.385 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.962 -5.703 -8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.743 -6.777 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.586 -5.091 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.581 -5.768 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.414 -5.781 -9.335 1.00 0.00 H new ATOM 552 N ILE A 36 -7.125 -5.354 -7.137 1.00 0.00 N ATOM 553 CA ILE A 36 -6.100 -5.031 -6.161 1.00 0.00 C ATOM 554 C ILE A 36 -6.320 -3.626 -5.626 1.00 0.00 C ATOM 555 O ILE A 36 -6.564 -2.688 -6.388 1.00 0.00 O ATOM 556 CB ILE A 36 -4.674 -5.149 -6.747 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.508 -4.268 -7.988 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.367 -6.600 -7.079 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.101 -4.272 -8.551 1.00 0.00 C ATOM 0 H ILE A 36 -7.001 -4.904 -8.044 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.183 -5.756 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.967 -4.799 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.200 -4.607 -8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.787 -3.245 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.361 -6.674 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.433 -7.202 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.087 -6.966 -7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.058 -3.627 -9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.406 -3.905 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.825 -5.288 -8.834 1.00 0.00 H new ATOM 571 N ASN A 37 -6.272 -3.484 -4.315 1.00 0.00 N ATOM 572 CA ASN A 37 -6.462 -2.181 -3.710 1.00 0.00 C ATOM 573 C ASN A 37 -5.145 -1.680 -3.145 1.00 0.00 C ATOM 574 O ASN A 37 -4.416 -2.423 -2.482 1.00 0.00 O ATOM 575 CB ASN A 37 -7.548 -2.220 -2.616 1.00 0.00 C ATOM 576 CG ASN A 37 -7.005 -2.501 -1.221 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.720 -1.578 -0.455 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.853 -3.771 -0.880 1.00 0.00 N ATOM 0 H ASN A 37 -6.105 -4.245 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.804 -1.491 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.074 -1.266 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.281 -2.985 -2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.490 -4.011 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.099 -4.509 -1.539 1.00 0.00 H new ATOM 585 N ILE A 38 -4.821 -0.439 -3.457 1.00 0.00 N ATOM 586 CA ILE A 38 -3.658 0.204 -2.883 1.00 0.00 C ATOM 587 C ILE A 38 -3.980 0.665 -1.472 1.00 0.00 C ATOM 588 O ILE A 38 -4.692 1.656 -1.274 1.00 0.00 O ATOM 589 CB ILE A 38 -3.186 1.402 -3.729 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.750 0.932 -5.116 1.00 0.00 C ATOM 591 CG2 ILE A 38 -2.043 2.117 -3.025 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.429 2.064 -6.070 1.00 0.00 C ATOM 0 H ILE A 38 -5.349 0.143 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.847 -0.524 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.015 2.100 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.872 0.294 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.541 0.319 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.715 2.963 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.382 2.476 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.212 1.426 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.127 1.653 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.312 2.690 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.617 2.665 -5.661 1.00 0.00 H new ATOM 604 N ASP A 39 -3.469 -0.073 -0.509 1.00 0.00 N ATOM 605 CA ASP A 39 -3.725 0.192 0.896 1.00 0.00 C ATOM 606 C ASP A 39 -2.953 1.416 1.360 1.00 0.00 C ATOM 607 O ASP A 39 -3.488 2.283 2.050 1.00 0.00 O ATOM 608 CB ASP A 39 -3.331 -1.031 1.729 1.00 0.00 C ATOM 609 CG ASP A 39 -3.404 -0.774 3.219 1.00 0.00 C ATOM 610 OD1 ASP A 39 -4.514 -0.864 3.790 1.00 0.00 O ATOM 611 OD2 ASP A 39 -2.352 -0.490 3.826 1.00 0.00 O ATOM 0 H ASP A 39 -2.863 -0.876 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.788 0.390 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.987 -1.864 1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.317 -1.333 1.466 1.00 0.00 H new ATOM 616 N HIS A 40 -1.697 1.495 0.955 1.00 0.00 N ATOM 617 CA HIS A 40 -0.829 2.575 1.381 1.00 0.00 C ATOM 618 C HIS A 40 0.206 2.903 0.309 1.00 0.00 C ATOM 619 O HIS A 40 0.779 2.011 -0.313 1.00 0.00 O ATOM 620 CB HIS A 40 -0.138 2.193 2.702 1.00 0.00 C ATOM 621 CG HIS A 40 1.010 3.080 3.087 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.851 4.300 3.702 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.344 2.907 2.937 1.00 0.00 C ATOM 624 CE1 HIS A 40 2.037 4.841 3.912 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.962 4.016 3.455 1.00 0.00 N ATOM 0 H HIS A 40 -1.256 0.821 0.330 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.435 3.467 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.878 2.211 3.502 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.223 1.167 2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.832 2.053 2.491 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.220 5.797 4.379 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.969 4.177 3.483 1.00 0.00 H new ATOM 634 N THR A 41 0.419 4.189 0.088 1.00 0.00 N ATOM 635 CA THR A 41 1.508 4.656 -0.748 1.00 0.00 C ATOM 636 C THR A 41 2.201 5.821 -0.063 1.00 0.00 C ATOM 637 O THR A 41 1.717 6.952 -0.091 1.00 0.00 O ATOM 638 CB THR A 41 1.021 5.079 -2.144 1.00 0.00 C ATOM 639 OG1 THR A 41 0.307 3.999 -2.740 1.00 0.00 O ATOM 640 CG2 THR A 41 2.191 5.462 -3.038 1.00 0.00 C ATOM 0 H THR A 41 -0.156 4.934 0.481 1.00 0.00 H new ATOM 0 HA THR A 41 2.208 3.832 -0.885 1.00 0.00 H new ATOM 0 HB THR A 41 0.371 5.947 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.132 4.203 -3.682 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.818 5.757 -4.019 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.733 6.295 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.861 4.609 -3.146 1.00 0.00 H new ATOM 648 N GLY A 42 3.313 5.529 0.586 1.00 0.00 N ATOM 649 CA GLY A 42 4.013 6.542 1.333 1.00 0.00 C ATOM 650 C GLY A 42 5.209 7.059 0.584 1.00 0.00 C ATOM 651 O GLY A 42 6.320 6.562 0.753 1.00 0.00 O ATOM 0 H GLY A 42 3.743 4.605 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.335 7.367 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.333 6.132 2.291 1.00 0.00 H new ATOM 655 N VAL A 43 4.972 8.034 -0.273 1.00 0.00 N ATOM 656 CA VAL A 43 6.044 8.663 -1.020 1.00 0.00 C ATOM 657 C VAL A 43 6.459 9.950 -0.327 1.00 0.00 C ATOM 658 O VAL A 43 5.732 10.943 -0.353 1.00 0.00 O ATOM 659 CB VAL A 43 5.625 8.974 -2.472 1.00 0.00 C ATOM 660 CG1 VAL A 43 6.782 9.582 -3.248 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.111 7.721 -3.168 1.00 0.00 C ATOM 0 H VAL A 43 4.044 8.408 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 43 6.881 7.966 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 43 4.814 9.702 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.464 9.793 -4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.096 10.508 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.617 8.881 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.822 7.965 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.896 6.965 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.246 7.334 -2.629 1.00 0.00 H new ATOM 671 N SER A 44 7.606 9.920 0.325 1.00 0.00 N ATOM 672 CA SER A 44 8.125 11.104 0.974 1.00 0.00 C ATOM 673 C SER A 44 8.823 11.984 -0.048 1.00 0.00 C ATOM 674 O SER A 44 9.757 11.556 -0.729 1.00 0.00 O ATOM 675 CB SER A 44 9.089 10.727 2.089 1.00 0.00 C ATOM 676 OG SER A 44 8.537 9.714 2.917 1.00 0.00 O ATOM 0 H SER A 44 8.193 9.091 0.418 1.00 0.00 H new ATOM 0 HA SER A 44 7.294 11.655 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.029 10.379 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.319 11.607 2.689 1.00 0.00 H new ATOM 0 HG SER A 44 9.175 9.487 3.625 1.00 0.00 H new ATOM 766 N VAL A 52 10.326 8.672 -7.214 1.00 0.00 N ATOM 767 CA VAL A 52 10.342 7.282 -6.789 1.00 0.00 C ATOM 768 C VAL A 52 8.941 6.682 -6.863 1.00 0.00 C ATOM 769 O VAL A 52 8.771 5.513 -7.215 1.00 0.00 O ATOM 770 CB VAL A 52 10.881 7.167 -5.343 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.909 5.723 -4.878 1.00 0.00 C ATOM 772 CG2 VAL A 52 12.265 7.796 -5.234 1.00 0.00 C ATOM 0 HA VAL A 52 10.999 6.729 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 52 10.201 7.713 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.293 5.676 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.900 5.312 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.555 5.141 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.626 7.705 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.952 7.284 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.208 8.850 -5.506 1.00 0.00 H new ATOM 782 N GLY A 53 7.943 7.500 -6.555 1.00 0.00 N ATOM 783 CA GLY A 53 6.571 7.033 -6.535 1.00 0.00 C ATOM 784 C GLY A 53 6.108 6.510 -7.879 1.00 0.00 C ATOM 785 O GLY A 53 5.516 5.433 -7.961 1.00 0.00 O ATOM 0 H GLY A 53 8.061 8.485 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.472 6.244 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.919 7.849 -6.224 1.00 0.00 H new ATOM 789 N LYS A 54 6.388 7.260 -8.937 1.00 0.00 N ATOM 790 CA LYS A 54 5.965 6.868 -10.277 1.00 0.00 C ATOM 791 C LYS A 54 6.632 5.561 -10.699 1.00 0.00 C ATOM 792 O LYS A 54 6.023 4.740 -11.382 1.00 0.00 O ATOM 793 CB LYS A 54 6.267 7.972 -11.296 1.00 0.00 C ATOM 794 CG LYS A 54 5.691 7.686 -12.675 1.00 0.00 C ATOM 795 CD LYS A 54 5.924 8.833 -13.643 1.00 0.00 C ATOM 796 CE LYS A 54 5.203 8.582 -14.957 1.00 0.00 C ATOM 797 NZ LYS A 54 5.398 9.687 -15.930 1.00 0.00 N ATOM 0 H LYS A 54 6.904 8.139 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 54 4.886 6.713 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.864 8.916 -10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.347 8.096 -11.379 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.143 6.778 -13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.621 7.498 -12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.572 9.765 -13.201 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.992 8.950 -13.825 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.562 7.650 -15.393 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.138 8.454 -14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.472 10.041 -16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.928 10.459 -15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.931 9.336 -16.751 1.00 0.00 H new ATOM 811 N LYS A 55 7.873 5.358 -10.265 1.00 0.00 N ATOM 812 CA LYS A 55 8.614 4.146 -10.607 1.00 0.00 C ATOM 813 C LYS A 55 7.934 2.921 -9.993 1.00 0.00 C ATOM 814 O LYS A 55 7.881 1.855 -10.608 1.00 0.00 O ATOM 815 CB LYS A 55 10.067 4.252 -10.127 1.00 0.00 C ATOM 816 CG LYS A 55 10.936 3.073 -10.543 1.00 0.00 C ATOM 817 CD LYS A 55 12.380 3.242 -10.086 1.00 0.00 C ATOM 818 CE LYS A 55 13.050 4.441 -10.742 1.00 0.00 C ATOM 819 NZ LYS A 55 13.178 4.274 -12.215 1.00 0.00 N ATOM 0 H LYS A 55 8.386 6.015 -9.677 1.00 0.00 H new ATOM 0 HA LYS A 55 8.619 4.034 -11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.504 5.170 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.076 4.333 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.527 2.154 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.909 2.967 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.406 3.360 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.943 2.339 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.472 5.340 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.039 4.586 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.799 5.016 -12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.586 3.341 -12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.239 4.348 -12.656 1.00 0.00 H new ATOM 833 N LEU A 56 7.402 3.089 -8.786 1.00 0.00 N ATOM 834 CA LEU A 56 6.685 2.013 -8.109 1.00 0.00 C ATOM 835 C LEU A 56 5.402 1.671 -8.853 1.00 0.00 C ATOM 836 O LEU A 56 5.142 0.507 -9.159 1.00 0.00 O ATOM 837 CB LEU A 56 6.359 2.406 -6.668 1.00 0.00 C ATOM 838 CG LEU A 56 7.569 2.588 -5.757 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.129 3.087 -4.393 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.340 1.282 -5.624 1.00 0.00 C ATOM 0 H LEU A 56 7.454 3.959 -8.257 1.00 0.00 H new ATOM 0 HA LEU A 56 7.330 1.134 -8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.791 3.336 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.711 1.643 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 56 8.230 3.331 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.002 3.213 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.619 4.044 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.450 2.363 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.199 1.432 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.690 0.517 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.684 0.961 -6.607 1.00 0.00 H new ATOM 852 N LEU A 57 4.614 2.694 -9.153 1.00 0.00 N ATOM 853 CA LEU A 57 3.362 2.513 -9.879 1.00 0.00 C ATOM 854 C LEU A 57 3.626 1.920 -11.259 1.00 0.00 C ATOM 855 O LEU A 57 2.845 1.108 -11.750 1.00 0.00 O ATOM 856 CB LEU A 57 2.602 3.841 -10.004 1.00 0.00 C ATOM 857 CG LEU A 57 1.737 4.230 -8.795 1.00 0.00 C ATOM 858 CD1 LEU A 57 2.587 4.395 -7.542 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.965 5.509 -9.086 1.00 0.00 C ATOM 0 H LEU A 57 4.819 3.662 -8.904 1.00 0.00 H new ATOM 0 HA LEU A 57 2.741 1.818 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.325 4.637 -10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.962 3.790 -10.885 1.00 0.00 H new ATOM 0 HG LEU A 57 1.026 3.424 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.948 4.670 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.094 3.456 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.328 5.177 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.357 5.772 -8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.666 6.317 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.319 5.355 -9.950 1.00 0.00 H new ATOM 871 N LYS A 58 4.737 2.321 -11.866 1.00 0.00 N ATOM 872 CA LYS A 58 5.165 1.772 -13.145 1.00 0.00 C ATOM 873 C LYS A 58 5.257 0.250 -13.071 1.00 0.00 C ATOM 874 O LYS A 58 4.731 -0.455 -13.935 1.00 0.00 O ATOM 875 CB LYS A 58 6.516 2.392 -13.540 1.00 0.00 C ATOM 876 CG LYS A 58 7.165 1.803 -14.789 1.00 0.00 C ATOM 877 CD LYS A 58 8.055 0.608 -14.457 1.00 0.00 C ATOM 878 CE LYS A 58 8.865 0.160 -15.660 1.00 0.00 C ATOM 879 NZ LYS A 58 8.011 -0.354 -16.766 1.00 0.00 N ATOM 0 H LYS A 58 5.363 3.032 -11.487 1.00 0.00 H new ATOM 0 HA LYS A 58 4.429 2.020 -13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.375 3.462 -13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.207 2.279 -12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.390 1.495 -15.490 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.758 2.570 -15.287 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.729 0.872 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.438 -0.219 -14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.460 0.997 -16.025 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.564 -0.618 -15.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.190 -1.370 -16.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.009 -0.208 -16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.236 0.156 -17.644 1.00 0.00 H new ATOM 893 N ALA A 59 5.906 -0.250 -12.024 1.00 0.00 N ATOM 894 CA ALA A 59 6.089 -1.684 -11.850 1.00 0.00 C ATOM 895 C ALA A 59 4.767 -2.380 -11.551 1.00 0.00 C ATOM 896 O ALA A 59 4.500 -3.474 -12.056 1.00 0.00 O ATOM 897 CB ALA A 59 7.093 -1.962 -10.741 1.00 0.00 C ATOM 0 H ALA A 59 6.314 0.319 -11.283 1.00 0.00 H new ATOM 0 HA ALA A 59 6.477 -2.085 -12.786 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.218 -3.039 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.052 -1.511 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.730 -1.536 -9.806 1.00 0.00 H new ATOM 903 N VAL A 60 3.942 -1.736 -10.734 1.00 0.00 N ATOM 904 CA VAL A 60 2.643 -2.287 -10.363 1.00 0.00 C ATOM 905 C VAL A 60 1.734 -2.418 -11.584 1.00 0.00 C ATOM 906 O VAL A 60 1.217 -3.500 -11.865 1.00 0.00 O ATOM 907 CB VAL A 60 1.939 -1.421 -9.294 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.556 -1.970 -8.974 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.782 -1.338 -8.031 1.00 0.00 C ATOM 0 H VAL A 60 4.150 -0.830 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 60 2.829 -3.276 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 60 1.822 -0.416 -9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.081 -1.343 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.053 -1.973 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.647 -2.988 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.269 -0.724 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.934 -2.340 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.748 -0.891 -8.267 1.00 0.00 H new ATOM 919 N VAL A 61 1.552 -1.320 -12.313 1.00 0.00 N ATOM 920 CA VAL A 61 0.692 -1.318 -13.497 1.00 0.00 C ATOM 921 C VAL A 61 1.221 -2.289 -14.550 1.00 0.00 C ATOM 922 O VAL A 61 0.448 -2.970 -15.222 1.00 0.00 O ATOM 923 CB VAL A 61 0.568 0.099 -14.102 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.288 0.087 -15.362 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.011 1.061 -13.077 1.00 0.00 C ATOM 0 H VAL A 61 1.987 -0.421 -12.107 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.300 -1.642 -13.181 1.00 0.00 H new ATOM 0 HB VAL A 61 1.567 0.437 -14.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.357 1.098 -15.765 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.166 -0.569 -16.104 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.287 -0.276 -15.120 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.093 2.055 -13.517 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.999 0.717 -12.772 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.643 1.102 -12.206 1.00 0.00 H new ATOM 935 N GLU A 62 2.542 -2.364 -14.665 1.00 0.00 N ATOM 936 CA GLU A 62 3.198 -3.295 -15.580 1.00 0.00 C ATOM 937 C GLU A 62 2.736 -4.729 -15.304 1.00 0.00 C ATOM 938 O GLU A 62 2.264 -5.438 -16.202 1.00 0.00 O ATOM 939 CB GLU A 62 4.713 -3.173 -15.404 1.00 0.00 C ATOM 940 CG GLU A 62 5.543 -4.021 -16.349 1.00 0.00 C ATOM 941 CD GLU A 62 7.025 -3.754 -16.182 1.00 0.00 C ATOM 942 OE1 GLU A 62 7.629 -4.288 -15.227 1.00 0.00 O ATOM 943 OE2 GLU A 62 7.592 -2.991 -16.992 1.00 0.00 O ATOM 0 H GLU A 62 3.188 -1.784 -14.129 1.00 0.00 H new ATOM 0 HA GLU A 62 2.931 -3.050 -16.608 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.995 -2.128 -15.536 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.967 -3.445 -14.379 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.340 -5.076 -16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.249 -3.814 -17.378 1.00 0.00 H new ATOM 950 N HIS A 63 2.836 -5.131 -14.043 1.00 0.00 N ATOM 951 CA HIS A 63 2.422 -6.462 -13.617 1.00 0.00 C ATOM 952 C HIS A 63 0.903 -6.613 -13.725 1.00 0.00 C ATOM 953 O HIS A 63 0.387 -7.708 -13.977 1.00 0.00 O ATOM 954 CB HIS A 63 2.891 -6.696 -12.176 1.00 0.00 C ATOM 955 CG HIS A 63 2.566 -8.052 -11.624 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.361 -9.156 -11.828 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.541 -8.470 -10.845 1.00 0.00 C ATOM 958 CE1 HIS A 63 2.842 -10.192 -11.200 1.00 0.00 C ATOM 959 NE2 HIS A 63 1.736 -9.801 -10.595 1.00 0.00 N ATOM 0 H HIS A 63 3.204 -4.548 -13.291 1.00 0.00 H new ATOM 0 HA HIS A 63 2.876 -7.209 -14.268 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.970 -6.549 -12.131 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.440 -5.940 -11.534 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.721 -7.865 -10.487 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.252 -11.191 -11.183 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.126 -10.394 -10.033 1.00 0.00 H new ATOM 968 N ALA A 64 0.195 -5.503 -13.542 1.00 0.00 N ATOM 969 CA ALA A 64 -1.260 -5.492 -13.612 1.00 0.00 C ATOM 970 C ALA A 64 -1.749 -5.707 -15.040 1.00 0.00 C ATOM 971 O ALA A 64 -2.808 -6.293 -15.256 1.00 0.00 O ATOM 972 CB ALA A 64 -1.806 -4.185 -13.060 1.00 0.00 C ATOM 0 H ALA A 64 0.611 -4.593 -13.343 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.630 -6.317 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.894 -4.192 -13.119 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.500 -4.073 -12.020 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.416 -3.352 -13.645 1.00 0.00 H new ATOM 978 N ARG A 65 -0.983 -5.224 -16.014 1.00 0.00 N ATOM 979 CA ARG A 65 -1.320 -5.419 -17.422 1.00 0.00 C ATOM 980 C ARG A 65 -1.206 -6.890 -17.795 1.00 0.00 C ATOM 981 O ARG A 65 -2.073 -7.435 -18.481 1.00 0.00 O ATOM 982 CB ARG A 65 -0.401 -4.590 -18.325 1.00 0.00 C ATOM 983 CG ARG A 65 -0.491 -3.091 -18.097 1.00 0.00 C ATOM 984 CD ARG A 65 -1.914 -2.582 -18.254 1.00 0.00 C ATOM 985 NE ARG A 65 -2.482 -2.898 -19.566 1.00 0.00 N ATOM 986 CZ ARG A 65 -3.567 -2.309 -20.064 1.00 0.00 C ATOM 987 NH1 ARG A 65 -4.161 -1.337 -19.385 1.00 0.00 N ATOM 988 NH2 ARG A 65 -4.046 -2.685 -21.243 1.00 0.00 N ATOM 0 H ARG A 65 -0.125 -4.695 -15.855 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.348 -5.087 -17.569 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.629 -4.909 -18.167 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.644 -4.803 -19.366 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.128 -2.853 -17.097 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.160 -2.576 -18.804 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.540 -3.019 -17.476 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.928 -1.502 -18.106 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.020 -3.610 -20.131 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.786 -1.042 -18.483 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.992 -0.884 -19.765 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.583 -3.426 -21.769 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.877 -2.233 -21.623 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.134 -7.521 -17.324 1.00 0.00 N ATOM 1003 CA GLU A 66 0.139 -8.927 -17.618 1.00 0.00 C ATOM 1004 C GLU A 66 -1.032 -9.829 -17.247 1.00 0.00 C ATOM 1005 O GLU A 66 -1.610 -10.509 -18.099 1.00 0.00 O ATOM 1006 CB GLU A 66 1.361 -9.400 -16.842 1.00 0.00 C ATOM 1007 CG GLU A 66 2.645 -8.670 -17.175 1.00 0.00 C ATOM 1008 CD GLU A 66 3.789 -9.159 -16.320 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.131 -10.355 -16.420 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.325 -8.364 -15.522 1.00 0.00 O ATOM 0 H GLU A 66 0.567 -7.076 -16.731 1.00 0.00 H new ATOM 0 HA GLU A 66 0.311 -8.994 -18.692 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.162 -9.289 -15.776 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.505 -10.464 -17.031 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.886 -8.816 -18.228 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.507 -7.599 -17.025 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.372 -9.835 -15.966 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.344 -10.785 -15.436 1.00 0.00 C ATOM 1019 C ASN A 67 -3.758 -10.237 -15.520 1.00 0.00 C ATOM 1020 O ASN A 67 -4.722 -10.961 -15.268 1.00 0.00 O ATOM 1021 CB ASN A 67 -2.010 -11.126 -13.981 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.690 -11.861 -13.837 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.641 -13.091 -13.852 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.391 -11.109 -13.688 1.00 0.00 N ATOM 0 H ASN A 67 -0.989 -9.192 -15.272 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.291 -11.688 -16.044 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.974 -10.207 -13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.809 -11.739 -13.564 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.306 -11.547 -13.580 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.308 -10.092 -13.681 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.870 -8.961 -15.885 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.150 -8.257 -15.905 1.00 0.00 C ATOM 1033 C ASN A 68 -5.656 -8.077 -14.484 1.00 0.00 C ATOM 1034 O ASN A 68 -6.406 -8.897 -13.951 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.192 -8.972 -16.779 1.00 0.00 C ATOM 1036 CG ASN A 68 -7.580 -8.352 -16.686 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -7.890 -7.376 -17.371 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -8.433 -8.941 -15.862 1.00 0.00 N ATOM 0 H ASN A 68 -3.078 -8.388 -16.174 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.990 -7.277 -16.355 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.861 -8.952 -17.817 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.248 -10.019 -16.482 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.386 -8.588 -15.777 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.137 -9.747 -15.312 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.165 -7.028 -13.859 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.583 -6.665 -12.518 1.00 0.00 C ATOM 1047 C LEU A 69 -6.312 -5.332 -12.551 1.00 0.00 C ATOM 1048 O LEU A 69 -6.030 -4.481 -13.399 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.371 -6.582 -11.584 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.553 -7.872 -11.459 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.322 -7.643 -10.595 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.404 -8.995 -10.883 1.00 0.00 C ATOM 0 H LEU A 69 -4.467 -6.403 -14.263 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.258 -7.432 -12.139 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.714 -5.787 -11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.717 -6.292 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.226 -8.166 -12.456 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.754 -8.570 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.698 -6.872 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.630 -7.323 -9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.804 -9.902 -10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.763 -8.709 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.255 -9.180 -11.539 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.262 -5.167 -11.653 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.015 -3.929 -11.561 1.00 0.00 C ATOM 1066 C LYS A 70 -7.550 -3.139 -10.350 1.00 0.00 C ATOM 1067 O LYS A 70 -7.573 -3.642 -9.229 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.509 -4.226 -11.464 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.059 -4.977 -12.662 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.547 -5.232 -12.505 1.00 0.00 C ATOM 1071 CE LYS A 70 -12.116 -5.938 -13.719 1.00 0.00 C ATOM 1072 NZ LYS A 70 -13.569 -6.202 -13.572 1.00 0.00 N ATOM 0 H LYS A 70 -7.533 -5.877 -10.973 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.842 -3.336 -12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.697 -4.809 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.051 -3.287 -11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.878 -4.403 -13.571 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.533 -5.925 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.723 -5.836 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.066 -4.286 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.945 -5.329 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.589 -6.880 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.922 -6.686 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.730 -6.804 -12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.075 -5.301 -13.451 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.125 -1.904 -10.576 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.500 -1.114 -9.524 1.00 0.00 C ATOM 1088 C ILE A 71 -7.474 -0.120 -8.897 1.00 0.00 C ATOM 1089 O ILE A 71 -7.996 0.773 -9.568 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.268 -0.347 -10.052 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.239 -1.330 -10.620 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.649 0.502 -8.947 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.004 -0.661 -11.185 1.00 0.00 C ATOM 0 H ILE A 71 -7.201 -1.428 -11.475 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.184 -1.823 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.589 0.321 -10.851 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.939 -2.022 -9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.711 -1.923 -11.404 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.783 1.034 -9.339 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.384 1.221 -8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.337 -0.142 -8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.322 -1.420 -11.568 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.292 0.010 -11.994 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.508 -0.091 -10.400 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.721 -0.298 -7.608 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.462 0.673 -6.819 1.00 0.00 C ATOM 1107 C ILE A 72 -7.557 1.215 -5.719 1.00 0.00 C ATOM 1108 O ILE A 72 -6.668 0.512 -5.245 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.745 0.076 -6.191 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.439 -1.249 -5.485 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.820 -0.115 -7.251 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.639 -1.868 -4.799 1.00 0.00 C ATOM 0 H ILE A 72 -7.415 -1.116 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.777 1.473 -7.489 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.119 0.778 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.045 -1.956 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.655 -1.083 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.714 -0.535 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.062 0.848 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.455 -0.794 -8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.344 -2.803 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.021 -1.181 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.417 -2.067 -5.536 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.761 2.460 -5.326 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.888 3.085 -4.345 1.00 0.00 C ATOM 1126 C ALA A 73 -7.632 3.416 -3.059 1.00 0.00 C ATOM 1127 O ALA A 73 -8.573 4.214 -3.059 1.00 0.00 O ATOM 1128 CB ALA A 73 -6.253 4.337 -4.925 1.00 0.00 C ATOM 0 H ALA A 73 -8.516 3.055 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.104 2.370 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.602 4.794 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.667 4.073 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.034 5.044 -5.207 1.00 0.00 H new ATOM 1134 N SER A 74 -7.207 2.789 -1.972 1.00 0.00 N ATOM 1135 CA SER A 74 -7.747 3.085 -0.658 1.00 0.00 C ATOM 1136 C SER A 74 -6.943 4.217 -0.028 1.00 0.00 C ATOM 1137 O SER A 74 -7.438 4.964 0.817 1.00 0.00 O ATOM 1138 CB SER A 74 -7.700 1.834 0.226 1.00 0.00 C ATOM 1139 OG SER A 74 -8.308 0.729 -0.426 1.00 0.00 O ATOM 0 H SER A 74 -6.485 2.068 -1.977 1.00 0.00 H new ATOM 0 HA SER A 74 -8.787 3.396 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.665 1.594 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.210 2.031 1.169 1.00 0.00 H new ATOM 0 HG SER A 74 -7.701 -0.040 -0.401 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.694 4.336 -0.462 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.824 5.415 -0.028 1.00 0.00 C ATOM 1147 C CYS A 75 -5.114 6.675 -0.840 1.00 0.00 C ATOM 1148 O CYS A 75 -5.066 6.654 -2.074 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.358 5.001 -0.190 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.164 6.233 0.379 1.00 0.00 S ATOM 0 H CYS A 75 -5.260 3.690 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 75 -5.013 5.626 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.193 4.073 0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -3.168 4.788 -1.242 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.566 5.796 1.447 1.00 0.00 H new ATOM 1156 N SER A 76 -5.421 7.763 -0.146 1.00 0.00 N ATOM 1157 CA SER A 76 -5.783 9.017 -0.796 1.00 0.00 C ATOM 1158 C SER A 76 -4.638 9.548 -1.651 1.00 0.00 C ATOM 1159 O SER A 76 -4.849 9.957 -2.793 1.00 0.00 O ATOM 1160 CB SER A 76 -6.179 10.047 0.260 1.00 0.00 C ATOM 1161 OG SER A 76 -7.157 9.510 1.134 1.00 0.00 O ATOM 0 H SER A 76 -5.427 7.803 0.873 1.00 0.00 H new ATOM 0 HA SER A 76 -6.630 8.831 -1.456 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.300 10.349 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.568 10.942 -0.225 1.00 0.00 H new ATOM 0 HG SER A 76 -7.399 10.181 1.806 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.432 9.523 -1.100 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.252 10.005 -1.811 1.00 0.00 C ATOM 1169 C PHE A 77 -2.033 9.210 -3.096 1.00 0.00 C ATOM 1170 O PHE A 77 -1.712 9.775 -4.144 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.020 9.907 -0.906 1.00 0.00 C ATOM 1172 CG PHE A 77 0.225 10.509 -1.495 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.369 11.884 -1.584 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.250 9.701 -1.959 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.512 12.443 -2.124 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.394 10.254 -2.499 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.526 11.626 -2.582 1.00 0.00 C ATOM 0 H PHE A 77 -3.243 9.173 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.411 11.049 -2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.237 10.403 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.831 8.858 -0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.422 12.527 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.153 8.627 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.612 13.517 -2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.186 9.613 -2.857 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.421 12.059 -3.004 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.234 7.901 -3.009 1.00 0.00 N ATOM 1188 CA ALA A 78 -2.074 7.019 -4.156 1.00 0.00 C ATOM 1189 C ALA A 78 -3.074 7.360 -5.251 1.00 0.00 C ATOM 1190 O ALA A 78 -2.714 7.474 -6.421 1.00 0.00 O ATOM 1191 CB ALA A 78 -2.242 5.572 -3.733 1.00 0.00 C ATOM 0 H ALA A 78 -2.510 7.425 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.069 7.161 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.120 4.923 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.490 5.322 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.237 5.430 -3.310 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.332 7.530 -4.862 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.383 7.867 -5.811 1.00 0.00 C ATOM 1199 C LYS A 79 -5.111 9.226 -6.441 1.00 0.00 C ATOM 1200 O LYS A 79 -5.348 9.433 -7.630 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.749 7.868 -5.122 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.910 8.129 -6.070 1.00 0.00 C ATOM 1203 CD LYS A 79 -9.246 8.043 -5.351 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.366 9.097 -4.267 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.627 8.949 -3.497 1.00 0.00 N ATOM 0 H LYS A 79 -4.648 7.440 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.392 7.112 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.900 6.906 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.752 8.628 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.800 9.116 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.886 7.405 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.056 8.166 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.359 7.053 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.515 9.022 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.329 10.089 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.675 9.686 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.439 9.045 -4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.651 8.012 -3.047 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.581 10.138 -5.637 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.262 11.478 -6.101 1.00 0.00 C ATOM 1221 C HIS A 80 -3.137 11.427 -7.132 1.00 0.00 C ATOM 1222 O HIS A 80 -3.075 12.253 -8.042 1.00 0.00 O ATOM 1223 CB HIS A 80 -3.873 12.366 -4.917 1.00 0.00 C ATOM 1224 CG HIS A 80 -3.993 13.833 -5.201 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -5.158 14.538 -4.990 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -3.094 14.733 -5.673 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -4.974 15.802 -5.317 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -3.732 15.946 -5.735 1.00 0.00 N ATOM 0 H HIS A 80 -4.363 9.971 -4.655 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.143 11.906 -6.578 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.504 12.117 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.846 12.143 -4.629 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.069 14.532 -5.948 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.714 16.586 -5.253 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.313 16.819 -6.054 1.00 0.00 H new ATOM 1237 N MET A 81 -2.255 10.443 -6.988 1.00 0.00 N ATOM 1238 CA MET A 81 -1.194 10.218 -7.961 1.00 0.00 C ATOM 1239 C MET A 81 -1.762 9.611 -9.239 1.00 0.00 C ATOM 1240 O MET A 81 -1.316 9.934 -10.340 1.00 0.00 O ATOM 1241 CB MET A 81 -0.105 9.300 -7.394 1.00 0.00 C ATOM 1242 CG MET A 81 0.701 9.920 -6.267 1.00 0.00 C ATOM 1243 SD MET A 81 2.004 8.824 -5.674 1.00 0.00 S ATOM 1244 CE MET A 81 2.976 8.606 -7.163 1.00 0.00 C ATOM 0 H MET A 81 -2.255 9.789 -6.206 1.00 0.00 H new ATOM 0 HA MET A 81 -0.746 11.185 -8.190 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.570 8.383 -7.032 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.573 9.018 -8.199 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.144 10.854 -6.612 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.035 10.169 -5.441 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.035 8.706 -6.924 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.789 7.615 -7.578 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.696 9.364 -7.895 1.00 0.00 H new ATOM 1254 N LEU A 82 -2.750 8.734 -9.082 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.425 8.122 -10.224 1.00 0.00 C ATOM 1256 C LEU A 82 -4.186 9.178 -11.019 1.00 0.00 C ATOM 1257 O LEU A 82 -4.227 9.134 -12.247 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.390 7.028 -9.759 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.740 5.838 -9.052 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -4.804 4.857 -8.588 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.745 5.146 -9.972 1.00 0.00 C ATOM 0 H LEU A 82 -3.102 8.431 -8.174 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.667 7.671 -10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.121 7.474 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.939 6.659 -10.625 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.200 6.207 -8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.328 4.014 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.482 5.356 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.366 4.496 -9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.293 4.302 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.261 4.788 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.967 5.852 -10.263 1.00 0.00 H new ATOM 1273 N GLU A 83 -4.790 10.124 -10.308 1.00 0.00 N ATOM 1274 CA GLU A 83 -5.472 11.241 -10.948 1.00 0.00 C ATOM 1275 C GLU A 83 -4.470 12.116 -11.696 1.00 0.00 C ATOM 1276 O GLU A 83 -4.783 12.689 -12.740 1.00 0.00 O ATOM 1277 CB GLU A 83 -6.217 12.090 -9.917 1.00 0.00 C ATOM 1278 CG GLU A 83 -7.355 11.363 -9.220 1.00 0.00 C ATOM 1279 CD GLU A 83 -8.180 12.287 -8.351 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -8.974 13.072 -8.910 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -8.046 12.238 -7.111 1.00 0.00 O ATOM 0 H GLU A 83 -4.821 10.139 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.194 10.831 -11.654 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.507 12.436 -9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.615 12.976 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.999 10.900 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.948 10.559 -8.607 1.00 0.00 H new ATOM 1288 N LYS A 84 -3.266 12.211 -11.145 1.00 0.00 N ATOM 1289 CA LYS A 84 -2.203 13.004 -11.744 1.00 0.00 C ATOM 1290 C LYS A 84 -1.691 12.339 -13.022 1.00 0.00 C ATOM 1291 O LYS A 84 -1.577 12.982 -14.069 1.00 0.00 O ATOM 1292 CB LYS A 84 -1.061 13.189 -10.737 1.00 0.00 C ATOM 1293 CG LYS A 84 0.069 14.071 -11.240 1.00 0.00 C ATOM 1294 CD LYS A 84 -0.427 15.460 -11.598 1.00 0.00 C ATOM 1295 CE LYS A 84 0.719 16.376 -11.991 1.00 0.00 C ATOM 1296 NZ LYS A 84 0.225 17.693 -12.458 1.00 0.00 N ATOM 0 H LYS A 84 -3.002 11.744 -10.277 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.601 13.984 -12.009 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.464 13.620 -9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.657 12.211 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.842 14.145 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.529 13.611 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.139 15.392 -12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.961 15.887 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.383 16.517 -11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.308 15.907 -12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.033 18.294 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.389 17.560 -13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.316 18.151 -11.697 1.00 0.00 H new ATOM 1310 N GLU A 85 -1.384 11.052 -12.935 1.00 0.00 N ATOM 1311 CA GLU A 85 -0.936 10.300 -14.093 1.00 0.00 C ATOM 1312 C GLU A 85 -2.098 9.502 -14.678 1.00 0.00 C ATOM 1313 O GLU A 85 -2.360 8.363 -14.277 1.00 0.00 O ATOM 1314 CB GLU A 85 0.227 9.376 -13.724 1.00 0.00 C ATOM 1315 CG GLU A 85 0.768 8.579 -14.901 1.00 0.00 C ATOM 1316 CD GLU A 85 1.163 9.455 -16.069 1.00 0.00 C ATOM 1317 OE1 GLU A 85 0.295 9.739 -16.921 1.00 0.00 O ATOM 1318 OE2 GLU A 85 2.341 9.861 -16.143 1.00 0.00 O ATOM 0 H GLU A 85 -1.438 10.509 -12.073 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.579 11.001 -14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.034 9.973 -13.299 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.101 8.685 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.634 8.002 -14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.013 7.864 -15.228 1.00 0.00 H new ATOM 1325 N ASP A 86 -2.789 10.107 -15.634 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.003 9.525 -16.200 1.00 0.00 C ATOM 1327 C ASP A 86 -3.703 8.326 -17.088 1.00 0.00 C ATOM 1328 O ASP A 86 -4.617 7.613 -17.499 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.793 10.577 -16.982 1.00 0.00 C ATOM 1330 CG ASP A 86 -4.010 11.169 -18.137 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -3.158 12.051 -17.895 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -4.253 10.773 -19.295 1.00 0.00 O ATOM 0 H ASP A 86 -2.529 11.007 -16.038 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.608 9.173 -15.365 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.708 10.126 -17.365 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.091 11.377 -16.305 1.00 0.00 H new ATOM 1337 N SER A 87 -2.428 8.088 -17.361 1.00 0.00 N ATOM 1338 CA SER A 87 -2.024 6.918 -18.132 1.00 0.00 C ATOM 1339 C SER A 87 -2.372 5.632 -17.375 1.00 0.00 C ATOM 1340 O SER A 87 -2.651 4.595 -17.977 1.00 0.00 O ATOM 1341 CB SER A 87 -0.523 6.973 -18.420 1.00 0.00 C ATOM 1342 OG SER A 87 -0.160 8.226 -18.980 1.00 0.00 O ATOM 0 H SER A 87 -1.658 8.686 -17.062 1.00 0.00 H new ATOM 0 HA SER A 87 -2.565 6.919 -19.078 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.034 6.807 -17.498 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.251 6.171 -19.106 1.00 0.00 H new ATOM 0 HG SER A 87 0.121 8.835 -18.265 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.378 5.719 -16.046 1.00 0.00 N ATOM 1349 CA TYR A 88 -2.671 4.566 -15.204 1.00 0.00 C ATOM 1350 C TYR A 88 -4.173 4.396 -15.005 1.00 0.00 C ATOM 1351 O TYR A 88 -4.629 3.345 -14.561 1.00 0.00 O ATOM 1352 CB TYR A 88 -1.998 4.704 -13.835 1.00 0.00 C ATOM 1353 CG TYR A 88 -0.495 4.835 -13.890 1.00 0.00 C ATOM 1354 CD1 TYR A 88 0.256 4.135 -14.826 1.00 0.00 C ATOM 1355 CD2 TYR A 88 0.170 5.662 -12.997 1.00 0.00 C ATOM 1356 CE1 TYR A 88 1.632 4.253 -14.865 1.00 0.00 C ATOM 1357 CE2 TYR A 88 1.543 5.786 -13.029 1.00 0.00 C ATOM 1358 CZ TYR A 88 2.270 5.082 -13.968 1.00 0.00 C ATOM 1359 OH TYR A 88 3.639 5.205 -14.006 1.00 0.00 O ATOM 0 H TYR A 88 -2.183 6.578 -15.531 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.277 3.687 -15.714 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.408 5.577 -13.328 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.253 3.835 -13.229 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.243 3.489 -15.533 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.397 6.218 -12.265 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.204 3.699 -15.594 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.047 6.430 -12.324 1.00 0.00 H new ATOM 0 HH TYR A 88 3.954 5.071 -14.924 1.00 0.00 H new ATOM 1369 N GLN A 89 -4.943 5.423 -15.354 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.383 5.408 -15.116 1.00 0.00 C ATOM 1371 C GLN A 89 -7.120 4.527 -16.125 1.00 0.00 C ATOM 1372 O GLN A 89 -8.349 4.457 -16.118 1.00 0.00 O ATOM 1373 CB GLN A 89 -6.949 6.830 -15.109 1.00 0.00 C ATOM 1374 CG GLN A 89 -6.791 7.527 -13.764 1.00 0.00 C ATOM 1375 CD GLN A 89 -7.437 8.899 -13.721 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -8.628 9.029 -13.441 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -6.648 9.937 -13.943 1.00 0.00 N ATOM 0 H GLN A 89 -4.596 6.272 -15.800 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.545 4.971 -14.131 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.448 7.418 -15.878 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.006 6.796 -15.372 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.228 6.902 -12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.730 7.625 -13.536 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.665 9.791 -14.173 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.022 10.884 -13.884 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.368 3.840 -16.978 1.00 0.00 N ATOM 1387 CA ASP A 90 -6.954 2.852 -17.880 1.00 0.00 C ATOM 1388 C ASP A 90 -7.388 1.622 -17.092 1.00 0.00 C ATOM 1389 O ASP A 90 -8.445 1.045 -17.345 1.00 0.00 O ATOM 1390 CB ASP A 90 -5.962 2.450 -18.978 1.00 0.00 C ATOM 1391 CG ASP A 90 -6.547 1.432 -19.940 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -7.369 1.823 -20.799 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -6.190 0.241 -19.849 1.00 0.00 O ATOM 0 H ASP A 90 -5.357 3.947 -17.065 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.825 3.300 -18.358 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.658 3.338 -19.533 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.063 2.038 -18.519 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.569 1.240 -16.118 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.881 0.104 -15.254 1.00 0.00 C ATOM 1400 C VAL A 91 -7.474 0.580 -13.931 1.00 0.00 C ATOM 1401 O VAL A 91 -7.768 -0.218 -13.041 1.00 0.00 O ATOM 1402 CB VAL A 91 -5.636 -0.768 -14.974 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -5.188 -1.484 -16.236 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.501 0.072 -14.408 1.00 0.00 C ATOM 0 H VAL A 91 -5.683 1.700 -15.906 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.613 -0.506 -15.784 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.910 -1.517 -14.231 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.310 -2.092 -16.017 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.993 -2.125 -16.596 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.939 -0.750 -17.002 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.636 -0.564 -14.219 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.231 0.848 -15.124 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.821 0.535 -13.475 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.638 1.891 -13.815 1.00 0.00 N ATOM 1415 CA TYR A 92 -8.270 2.483 -12.650 1.00 0.00 C ATOM 1416 C TYR A 92 -9.773 2.564 -12.872 1.00 0.00 C ATOM 1417 O TYR A 92 -10.242 3.278 -13.758 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.683 3.873 -12.377 1.00 0.00 C ATOM 1419 CG TYR A 92 -8.367 4.635 -11.262 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -8.472 4.101 -9.984 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.908 5.893 -11.495 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -9.096 4.800 -8.970 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -9.533 6.597 -10.487 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.626 6.046 -9.226 1.00 0.00 C ATOM 1425 OH TYR A 92 -10.258 6.739 -8.223 1.00 0.00 O ATOM 0 H TYR A 92 -7.339 2.566 -14.519 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.078 1.858 -11.778 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.626 3.766 -12.132 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.739 4.463 -13.291 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.059 3.124 -9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.838 6.327 -12.482 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.168 4.372 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.947 7.575 -10.684 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.573 7.600 -8.569 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.515 1.811 -12.072 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.966 1.726 -12.211 1.00 0.00 C ATOM 1437 C LEU A 93 -12.613 3.057 -11.876 1.00 0.00 C ATOM 1438 O LEU A 93 -13.566 3.483 -12.531 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.555 0.648 -11.285 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.940 -0.753 -11.384 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -10.587 -0.798 -10.700 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -12.871 -1.788 -10.776 1.00 0.00 C ATOM 0 H LEU A 93 -10.134 1.245 -11.314 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.174 1.461 -13.248 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.455 0.992 -10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.622 0.567 -11.492 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.799 -0.987 -12.439 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.170 -1.802 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.914 -0.085 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.703 -0.539 -9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.418 -2.776 -10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -13.043 -1.551 -9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -13.821 -1.781 -11.310 1.00 0.00 H new