USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 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 55 GLN : amide:sc= 0.723 K(o=1.6,f=0.76) USER MOD Set 1.2: B 70 LYS NZ :NH3+ -166:sc= 0.849 (180deg=1.07) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00571 USER MOD Single : A 9 ASN : amide:sc= -0.182 K(o=-0.18,f=-4.1!) USER MOD Single : A 10 THR OG1 : rot 51:sc= 1.34 USER MOD Single : A 11 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.46) USER MOD Single : A 14 SER OG : rot -13:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0.424 (180deg=0.321) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 33 SER OG : rot -79:sc= 1.12 USER MOD Single : A 35 MET CE :methyl 163:sc= -0.137 (180deg=-0.613) USER MOD Single : A 39 ASN : amide:sc= 1.19 K(o=1.2,f=-0.05) USER MOD Single : A 40 CYS SG : rot 180:sc=-0.00319 USER MOD Single : A 42 THR OG1 : rot 84:sc= 1.08 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.5) USER MOD Single : A 68 SER OG : rot 69:sc= 1.09 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.0454 X(o=-0.045,f=-0.0046) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 14 SER OG : rot -85:sc= 1.18 USER MOD Single : B 25 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.1) USER MOD Single : B 26 HIS : no HD1:sc= -1.25! C(o=-1.2!,f=-8.5!) USER MOD Single : B 27 LYS NZ :NH3+ 145:sc= 2.31 (180deg=1.21) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : B 33 SER OG : rot -83:sc= 1.11 USER MOD Single : B 35 MET CE :methyl -160:sc= -0.216 (180deg=-0.878) USER MOD Single : B 39 ASN : amide:sc= -1.25 K(o=-1.3,f=0) USER MOD Single : B 40 CYS SG : rot 74:sc= -2.19! USER MOD Single : B 42 THR OG1 : rot 97:sc= -0.245 USER MOD Single : B 43 HIS : no HE2:sc= -0.34 K(o=-0.34,f=-0.97) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 60 GLN : amide:sc= -0.0181 K(o=-0.018,f=-0.6) USER MOD Single : B 63 LYS NZ :NH3+ -165:sc= -0.0335 (180deg=-0.256) USER MOD Single : B 67 GLN : amide:sc=-0.00354 K(o=-0.0035,f=-0.82) USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -1.047 19.272 -4.068 1.00 0.00 N ATOM 121 CA SER A 8 0.301 19.768 -4.285 1.00 0.00 C ATOM 122 C SER A 8 1.326 18.709 -3.880 1.00 0.00 C ATOM 123 O SER A 8 0.983 17.718 -3.228 1.00 0.00 O ATOM 124 CB SER A 8 0.525 21.053 -3.482 1.00 0.00 C ATOM 125 OG SER A 8 0.307 20.832 -2.098 1.00 0.00 O ATOM 0 HA SER A 8 0.426 19.989 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.542 21.413 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.148 21.832 -3.840 1.00 0.00 H new ATOM 0 HG SER A 8 0.457 21.666 -1.606 1.00 0.00 H new ATOM 131 N ASN A 9 2.581 18.923 -4.252 1.00 0.00 N ATOM 132 CA ASN A 9 3.644 17.986 -3.913 1.00 0.00 C ATOM 133 C ASN A 9 3.823 17.884 -2.399 1.00 0.00 C ATOM 134 O ASN A 9 4.101 16.807 -1.876 1.00 0.00 O ATOM 135 CB ASN A 9 4.974 18.380 -4.577 1.00 0.00 C ATOM 136 CG ASN A 9 5.483 19.749 -4.150 1.00 0.00 C ATOM 137 OD1 ASN A 9 4.703 20.673 -3.908 1.00 0.00 O ATOM 138 ND2 ASN A 9 6.795 19.887 -4.053 1.00 0.00 N ATOM 0 H ASN A 9 2.888 19.735 -4.787 1.00 0.00 H new ATOM 0 HA ASN A 9 3.348 17.009 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.727 17.630 -4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.848 18.369 -5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.194 20.782 -3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.408 19.099 -4.262 1.00 0.00 H new ATOM 145 N THR A 10 3.640 18.996 -1.697 1.00 0.00 N ATOM 146 CA THR A 10 3.846 19.016 -0.259 1.00 0.00 C ATOM 147 C THR A 10 2.624 18.462 0.487 1.00 0.00 C ATOM 148 O THR A 10 2.745 17.978 1.613 1.00 0.00 O ATOM 149 CB THR A 10 4.188 20.435 0.244 1.00 0.00 C ATOM 150 OG1 THR A 10 4.592 20.391 1.618 1.00 0.00 O ATOM 151 CG2 THR A 10 3.008 21.380 0.090 1.00 0.00 C ATOM 0 H THR A 10 3.352 19.888 -2.099 1.00 0.00 H new ATOM 0 HA THR A 10 4.697 18.369 -0.047 1.00 0.00 H new ATOM 0 HB THR A 10 5.009 20.811 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.289 19.712 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.284 22.370 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.729 21.445 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.163 21.004 0.667 1.00 0.00 H new ATOM 159 N GLN A 11 1.456 18.521 -0.150 1.00 0.00 N ATOM 160 CA GLN A 11 0.241 17.944 0.420 1.00 0.00 C ATOM 161 C GLN A 11 0.429 16.442 0.615 1.00 0.00 C ATOM 162 O GLN A 11 0.413 15.939 1.740 1.00 0.00 O ATOM 163 CB GLN A 11 -0.957 18.216 -0.502 1.00 0.00 C ATOM 164 CG GLN A 11 -2.274 17.632 -0.010 1.00 0.00 C ATOM 165 CD GLN A 11 -2.725 18.221 1.314 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.392 17.708 2.383 1.00 0.00 O ATOM 167 NE2 GLN A 11 -3.490 19.299 1.255 1.00 0.00 N ATOM 0 H GLN A 11 1.326 18.962 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 11 0.045 18.406 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.073 19.294 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.740 17.809 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.045 17.806 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.170 16.552 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.745 19.695 0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.825 19.734 2.114 1.00 0.00 H new ATOM 176 N VAL A 12 0.655 15.744 -0.490 1.00 0.00 N ATOM 177 CA VAL A 12 0.906 14.309 -0.466 1.00 0.00 C ATOM 178 C VAL A 12 2.115 14.008 0.419 1.00 0.00 C ATOM 179 O VAL A 12 2.128 13.031 1.171 1.00 0.00 O ATOM 180 CB VAL A 12 1.158 13.769 -1.889 1.00 0.00 C ATOM 181 CG1 VAL A 12 1.252 12.253 -1.888 1.00 0.00 C ATOM 182 CG2 VAL A 12 0.064 14.232 -2.841 1.00 0.00 C ATOM 0 H VAL A 12 0.670 16.154 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 12 0.023 13.815 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 12 2.111 14.169 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.430 11.899 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.075 11.940 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.319 11.831 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.260 13.840 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.901 13.866 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.049 15.321 -2.875 1.00 0.00 H new ATOM 192 N GLU A 13 3.114 14.879 0.328 1.00 0.00 N ATOM 193 CA GLU A 13 4.315 14.799 1.152 1.00 0.00 C ATOM 194 C GLU A 13 3.967 14.707 2.636 1.00 0.00 C ATOM 195 O GLU A 13 4.367 13.761 3.312 1.00 0.00 O ATOM 196 CB GLU A 13 5.179 16.035 0.901 1.00 0.00 C ATOM 197 CG GLU A 13 6.389 16.158 1.806 1.00 0.00 C ATOM 198 CD GLU A 13 7.050 17.515 1.683 1.00 0.00 C ATOM 199 OE1 GLU A 13 6.463 18.513 2.158 1.00 0.00 O ATOM 200 OE2 GLU A 13 8.157 17.593 1.111 1.00 0.00 O ATOM 0 H GLU A 13 3.114 15.664 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 13 4.861 13.896 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.517 16.020 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.560 16.924 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.087 15.994 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.110 15.379 1.557 1.00 0.00 H new ATOM 207 N SER A 14 3.210 15.685 3.128 1.00 0.00 N ATOM 208 CA SER A 14 2.885 15.767 4.547 1.00 0.00 C ATOM 209 C SER A 14 2.139 14.523 5.027 1.00 0.00 C ATOM 210 O SER A 14 2.357 14.058 6.150 1.00 0.00 O ATOM 211 CB SER A 14 2.074 17.035 4.844 1.00 0.00 C ATOM 212 OG SER A 14 0.866 17.083 4.096 1.00 0.00 O ATOM 0 H SER A 14 2.810 16.433 2.562 1.00 0.00 H new ATOM 0 HA SER A 14 3.824 15.819 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.843 17.076 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.677 17.913 4.614 1.00 0.00 H new ATOM 0 HG SER A 14 0.893 16.407 3.387 1.00 0.00 H new ATOM 218 N LEU A 15 1.271 13.972 4.180 1.00 0.00 N ATOM 219 CA LEU A 15 0.550 12.759 4.546 1.00 0.00 C ATOM 220 C LEU A 15 1.491 11.562 4.598 1.00 0.00 C ATOM 221 O LEU A 15 1.536 10.850 5.604 1.00 0.00 O ATOM 222 CB LEU A 15 -0.610 12.474 3.590 1.00 0.00 C ATOM 223 CG LEU A 15 -1.915 13.194 3.926 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.882 14.639 3.454 1.00 0.00 C ATOM 225 CD2 LEU A 15 -3.096 12.451 3.330 1.00 0.00 C ATOM 0 H LEU A 15 1.054 14.339 3.253 1.00 0.00 H new ATOM 0 HA LEU A 15 0.132 12.924 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.307 12.755 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.797 11.400 3.580 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.029 13.206 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.824 15.126 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.060 15.163 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.738 14.666 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.019 12.976 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.986 12.402 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.133 11.440 3.737 1.00 0.00 H new ATOM 237 N ILE A 16 2.245 11.357 3.522 1.00 0.00 N ATOM 238 CA ILE A 16 3.204 10.255 3.445 1.00 0.00 C ATOM 239 C ILE A 16 4.204 10.326 4.589 1.00 0.00 C ATOM 240 O ILE A 16 4.477 9.329 5.249 1.00 0.00 O ATOM 241 CB ILE A 16 3.972 10.267 2.101 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.013 9.991 0.942 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.112 9.251 2.110 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.671 10.067 -0.415 1.00 0.00 C ATOM 0 H ILE A 16 2.211 11.942 2.687 1.00 0.00 H new ATOM 0 HA ILE A 16 2.633 9.329 3.518 1.00 0.00 H new ATOM 0 HB ILE A 16 4.409 11.257 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.576 9.001 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.193 10.708 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.634 9.281 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.809 9.494 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.708 8.252 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.932 9.861 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.084 11.065 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.472 9.331 -0.472 1.00 0.00 H new ATOM 256 N ALA A 17 4.728 11.517 4.827 1.00 0.00 N ATOM 257 CA ALA A 17 5.731 11.718 5.856 1.00 0.00 C ATOM 258 C ALA A 17 5.214 11.291 7.223 1.00 0.00 C ATOM 259 O ALA A 17 5.901 10.581 7.950 1.00 0.00 O ATOM 260 CB ALA A 17 6.174 13.174 5.886 1.00 0.00 C ATOM 0 H ALA A 17 4.473 12.363 4.317 1.00 0.00 H new ATOM 0 HA ALA A 17 6.591 11.093 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.927 13.309 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.598 13.445 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.315 13.811 6.098 1.00 0.00 H new ATOM 266 N GLU A 18 3.991 11.689 7.557 1.00 0.00 N ATOM 267 CA GLU A 18 3.457 11.433 8.890 1.00 0.00 C ATOM 268 C GLU A 18 3.326 9.929 9.143 1.00 0.00 C ATOM 269 O GLU A 18 3.767 9.427 10.181 1.00 0.00 O ATOM 270 CB GLU A 18 2.105 12.123 9.076 1.00 0.00 C ATOM 271 CG GLU A 18 1.710 12.289 10.538 1.00 0.00 C ATOM 272 CD GLU A 18 0.348 12.929 10.712 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.014 13.855 9.943 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.394 12.518 11.624 1.00 0.00 O ATOM 0 H GLU A 18 3.357 12.185 6.931 1.00 0.00 H new ATOM 0 HA GLU A 18 4.157 11.846 9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.137 13.104 8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.336 11.546 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.712 11.313 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.459 12.897 11.045 1.00 0.00 H new ATOM 281 N ILE A 19 2.746 9.211 8.183 1.00 0.00 N ATOM 282 CA ILE A 19 2.558 7.768 8.325 1.00 0.00 C ATOM 283 C ILE A 19 3.887 7.022 8.236 1.00 0.00 C ATOM 284 O ILE A 19 4.104 6.034 8.943 1.00 0.00 O ATOM 285 CB ILE A 19 1.574 7.204 7.272 1.00 0.00 C ATOM 286 CG1 ILE A 19 1.884 7.757 5.881 1.00 0.00 C ATOM 287 CG2 ILE A 19 0.142 7.510 7.669 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.845 7.410 4.840 1.00 0.00 C ATOM 0 H ILE A 19 2.401 9.600 7.306 1.00 0.00 H new ATOM 0 HA ILE A 19 2.128 7.610 9.314 1.00 0.00 H new ATOM 0 HB ILE A 19 1.697 6.122 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.974 8.841 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.852 7.375 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.538 7.107 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.073 7.054 8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.007 8.589 7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.135 7.837 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.770 6.327 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.121 7.816 5.141 1.00 0.00 H new ATOM 300 N LEU A 20 4.778 7.506 7.378 1.00 0.00 N ATOM 301 CA LEU A 20 6.094 6.901 7.215 1.00 0.00 C ATOM 302 C LEU A 20 6.896 7.017 8.506 1.00 0.00 C ATOM 303 O LEU A 20 7.545 6.065 8.935 1.00 0.00 O ATOM 304 CB LEU A 20 6.859 7.573 6.074 1.00 0.00 C ATOM 305 CG LEU A 20 8.137 6.856 5.636 1.00 0.00 C ATOM 306 CD1 LEU A 20 7.813 5.562 4.910 1.00 0.00 C ATOM 307 CD2 LEU A 20 8.973 7.750 4.746 1.00 0.00 C ATOM 0 H LEU A 20 4.612 8.318 6.783 1.00 0.00 H new ATOM 0 HA LEU A 20 5.954 5.847 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.196 7.657 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.117 8.587 6.379 1.00 0.00 H new ATOM 0 HG LEU A 20 8.708 6.617 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.739 5.072 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.253 4.903 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.215 5.781 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.877 7.221 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.399 8.020 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.245 8.654 5.291 1.00 0.00 H new ATOM 319 N VAL A 21 6.840 8.190 9.127 1.00 0.00 N ATOM 320 CA VAL A 21 7.543 8.424 10.380 1.00 0.00 C ATOM 321 C VAL A 21 7.035 7.483 11.472 1.00 0.00 C ATOM 322 O VAL A 21 7.818 6.977 12.271 1.00 0.00 O ATOM 323 CB VAL A 21 7.430 9.896 10.840 1.00 0.00 C ATOM 324 CG1 VAL A 21 8.000 10.079 12.236 1.00 0.00 C ATOM 325 CG2 VAL A 21 8.151 10.815 9.865 1.00 0.00 C ATOM 0 H VAL A 21 6.314 8.993 8.782 1.00 0.00 H new ATOM 0 HA VAL A 21 8.598 8.216 10.201 1.00 0.00 H new ATOM 0 HB VAL A 21 6.372 10.157 10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.907 11.124 12.533 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.451 9.452 12.938 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.052 9.793 12.240 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.061 11.847 10.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.204 10.539 9.816 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.704 10.718 8.875 1.00 0.00 H new ATOM 335 N VAL A 22 5.728 7.230 11.494 1.00 0.00 N ATOM 336 CA VAL A 22 5.160 6.262 12.435 1.00 0.00 C ATOM 337 C VAL A 22 5.818 4.893 12.246 1.00 0.00 C ATOM 338 O VAL A 22 6.259 4.261 13.211 1.00 0.00 O ATOM 339 CB VAL A 22 3.627 6.119 12.270 1.00 0.00 C ATOM 340 CG1 VAL A 22 3.087 4.993 13.140 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.926 7.422 12.614 1.00 0.00 C ATOM 0 H VAL A 22 5.047 7.675 10.879 1.00 0.00 H new ATOM 0 HA VAL A 22 5.358 6.637 13.439 1.00 0.00 H new ATOM 0 HB VAL A 22 3.427 5.876 11.226 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.008 4.914 13.005 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.558 4.053 12.853 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.307 5.204 14.186 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.850 7.300 12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.145 7.691 13.647 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.279 8.211 11.951 1.00 0.00 H new ATOM 351 N LEU A 23 5.891 4.459 10.993 1.00 0.00 N ATOM 352 CA LEU A 23 6.527 3.193 10.641 1.00 0.00 C ATOM 353 C LEU A 23 7.992 3.160 11.068 1.00 0.00 C ATOM 354 O LEU A 23 8.464 2.164 11.616 1.00 0.00 O ATOM 355 CB LEU A 23 6.440 2.969 9.131 1.00 0.00 C ATOM 356 CG LEU A 23 5.024 2.921 8.561 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.067 2.940 7.042 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.294 1.683 9.062 1.00 0.00 C ATOM 0 H LEU A 23 5.513 4.971 10.196 1.00 0.00 H new ATOM 0 HA LEU A 23 5.997 2.401 11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.989 3.766 8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.944 2.033 8.889 1.00 0.00 H new ATOM 0 HG LEU A 23 4.479 3.802 8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.051 2.905 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.556 3.853 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.625 2.075 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.286 1.662 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.834 0.790 8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.238 1.709 10.150 1.00 0.00 H new ATOM 370 N GLU A 24 8.703 4.251 10.815 1.00 0.00 N ATOM 371 CA GLU A 24 10.137 4.312 11.075 1.00 0.00 C ATOM 372 C GLU A 24 10.440 4.462 12.571 1.00 0.00 C ATOM 373 O GLU A 24 11.455 3.962 13.053 1.00 0.00 O ATOM 374 CB GLU A 24 10.763 5.465 10.288 1.00 0.00 C ATOM 375 CG GLU A 24 12.281 5.518 10.376 1.00 0.00 C ATOM 376 CD GLU A 24 12.952 4.291 9.786 1.00 0.00 C ATOM 377 OE1 GLU A 24 13.236 4.293 8.568 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.214 3.323 10.536 1.00 0.00 O ATOM 0 H GLU A 24 8.309 5.109 10.429 1.00 0.00 H new ATOM 0 HA GLU A 24 10.575 3.370 10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.472 5.378 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.354 6.407 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.639 6.407 9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.576 5.620 11.420 1.00 0.00 H new ATOM 385 N LYS A 25 9.567 5.146 13.308 1.00 0.00 N ATOM 386 CA LYS A 25 9.765 5.315 14.747 1.00 0.00 C ATOM 387 C LYS A 25 9.617 3.987 15.479 1.00 0.00 C ATOM 388 O LYS A 25 10.361 3.703 16.417 1.00 0.00 O ATOM 389 CB LYS A 25 8.810 6.362 15.331 1.00 0.00 C ATOM 390 CG LYS A 25 9.181 7.786 14.955 1.00 0.00 C ATOM 391 CD LYS A 25 8.337 8.813 15.693 1.00 0.00 C ATOM 392 CE LYS A 25 6.854 8.641 15.409 1.00 0.00 C ATOM 393 NZ LYS A 25 6.062 9.794 15.912 1.00 0.00 N ATOM 0 H LYS A 25 8.725 5.588 12.939 1.00 0.00 H new ATOM 0 HA LYS A 25 10.783 5.677 14.893 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.798 6.154 14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.801 6.270 16.417 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.234 7.956 15.178 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.057 7.920 13.880 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.514 8.724 16.765 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.648 9.816 15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.699 8.533 14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.498 7.723 15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.055 9.642 15.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.191 9.881 16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.385 10.666 15.447 1.00 0.00 H new ATOM 407 N HIS A 26 8.668 3.164 15.045 1.00 0.00 N ATOM 408 CA HIS A 26 8.544 1.814 15.589 1.00 0.00 C ATOM 409 C HIS A 26 9.585 0.921 14.932 1.00 0.00 C ATOM 410 O HIS A 26 9.883 -0.177 15.406 1.00 0.00 O ATOM 411 CB HIS A 26 7.142 1.242 15.353 1.00 0.00 C ATOM 412 CG HIS A 26 6.071 1.878 16.187 1.00 0.00 C ATOM 413 ND1 HIS A 26 5.933 1.645 17.534 1.00 0.00 N ATOM 414 CD2 HIS A 26 5.074 2.731 15.852 1.00 0.00 C ATOM 415 CE1 HIS A 26 4.899 2.324 17.993 1.00 0.00 C ATOM 416 NE2 HIS A 26 4.358 2.993 16.993 1.00 0.00 N ATOM 0 H HIS A 26 7.982 3.402 14.329 1.00 0.00 H new ATOM 0 HA HIS A 26 8.707 1.855 16.666 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.886 1.361 14.300 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.159 0.172 15.558 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.878 3.131 14.868 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.553 2.331 19.016 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.543 3.603 17.057 1.00 0.00 H new ATOM 425 N LYS A 27 10.134 1.443 13.839 1.00 0.00 N ATOM 426 CA LYS A 27 11.127 0.767 13.019 1.00 0.00 C ATOM 427 C LYS A 27 10.646 -0.614 12.620 1.00 0.00 C ATOM 428 O LYS A 27 11.225 -1.636 12.995 1.00 0.00 O ATOM 429 CB LYS A 27 12.484 0.708 13.715 1.00 0.00 C ATOM 430 CG LYS A 27 13.632 0.704 12.726 1.00 0.00 C ATOM 431 CD LYS A 27 14.958 0.988 13.397 1.00 0.00 C ATOM 432 CE LYS A 27 16.009 1.381 12.374 1.00 0.00 C ATOM 433 NZ LYS A 27 15.648 2.644 11.666 1.00 0.00 N ATOM 0 H LYS A 27 9.893 2.372 13.493 1.00 0.00 H new ATOM 0 HA LYS A 27 11.261 1.351 12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.585 1.563 14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.535 -0.188 14.333 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.678 -0.264 12.227 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.449 1.452 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.837 1.789 14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.290 0.106 13.945 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.971 1.505 12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.127 0.578 11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.465 2.979 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.849 2.466 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.379 3.368 12.363 1.00 0.00 H new ATOM 447 N ALA A 28 9.559 -0.624 11.871 1.00 0.00 N ATOM 448 CA ALA A 28 8.976 -1.855 11.382 1.00 0.00 C ATOM 449 C ALA A 28 9.854 -2.464 10.297 1.00 0.00 C ATOM 450 O ALA A 28 10.172 -1.803 9.304 1.00 0.00 O ATOM 451 CB ALA A 28 7.574 -1.593 10.854 1.00 0.00 C ATOM 0 H ALA A 28 9.059 0.218 11.587 1.00 0.00 H new ATOM 0 HA ALA A 28 8.910 -2.566 12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.143 -2.525 10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.952 -1.196 11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.621 -0.871 10.039 1.00 0.00 H new ATOM 457 N PRO A 29 10.280 -3.723 10.491 1.00 0.00 N ATOM 458 CA PRO A 29 11.081 -4.454 9.503 1.00 0.00 C ATOM 459 C PRO A 29 10.376 -4.563 8.152 1.00 0.00 C ATOM 460 O PRO A 29 9.182 -4.272 8.040 1.00 0.00 O ATOM 461 CB PRO A 29 11.249 -5.840 10.131 1.00 0.00 C ATOM 462 CG PRO A 29 11.042 -5.629 11.589 1.00 0.00 C ATOM 463 CD PRO A 29 10.032 -4.525 11.699 1.00 0.00 C ATOM 0 HA PRO A 29 12.025 -3.951 9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.524 -6.547 9.728 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.239 -6.248 9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.682 -6.539 12.069 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.975 -5.357 12.082 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.013 -4.912 11.724 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.173 -3.939 12.607 1.00 0.00 H new ATOM 471 N THR A 30 11.117 -4.996 7.140 1.00 0.00 N ATOM 472 CA THR A 30 10.617 -5.053 5.772 1.00 0.00 C ATOM 473 C THR A 30 9.296 -5.819 5.680 1.00 0.00 C ATOM 474 O THR A 30 8.315 -5.310 5.139 1.00 0.00 O ATOM 475 CB THR A 30 11.650 -5.721 4.847 1.00 0.00 C ATOM 476 OG1 THR A 30 12.975 -5.309 5.221 1.00 0.00 O ATOM 477 CG2 THR A 30 11.390 -5.350 3.394 1.00 0.00 C ATOM 0 H THR A 30 12.080 -5.317 7.244 1.00 0.00 H new ATOM 0 HA THR A 30 10.444 -4.025 5.454 1.00 0.00 H new ATOM 0 HB THR A 30 11.560 -6.802 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.630 -5.738 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.131 -5.833 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.393 -5.683 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.460 -4.269 3.277 1.00 0.00 H new ATOM 485 N ASP A 31 9.265 -7.024 6.234 1.00 0.00 N ATOM 486 CA ASP A 31 8.078 -7.869 6.143 1.00 0.00 C ATOM 487 C ASP A 31 6.930 -7.289 6.962 1.00 0.00 C ATOM 488 O ASP A 31 5.784 -7.268 6.513 1.00 0.00 O ATOM 489 CB ASP A 31 8.395 -9.287 6.615 1.00 0.00 C ATOM 490 CG ASP A 31 7.271 -10.260 6.322 1.00 0.00 C ATOM 491 OD1 ASP A 31 7.207 -10.777 5.188 1.00 0.00 O ATOM 492 OD2 ASP A 31 6.465 -10.541 7.231 1.00 0.00 O ATOM 0 H ASP A 31 10.042 -7.438 6.749 1.00 0.00 H new ATOM 0 HA ASP A 31 7.770 -7.905 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.307 -9.633 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.590 -9.275 7.687 1.00 0.00 H new ATOM 497 N LEU A 32 7.249 -6.795 8.154 1.00 0.00 N ATOM 498 CA LEU A 32 6.241 -6.220 9.042 1.00 0.00 C ATOM 499 C LEU A 32 5.586 -4.997 8.409 1.00 0.00 C ATOM 500 O LEU A 32 4.363 -4.849 8.449 1.00 0.00 O ATOM 501 CB LEU A 32 6.862 -5.836 10.389 1.00 0.00 C ATOM 502 CG LEU A 32 5.884 -5.263 11.422 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.785 -6.264 11.741 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.623 -4.868 12.692 1.00 0.00 C ATOM 0 H LEU A 32 8.198 -6.781 8.529 1.00 0.00 H new ATOM 0 HA LEU A 32 5.475 -6.978 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.339 -6.719 10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.649 -5.103 10.212 1.00 0.00 H new ATOM 0 HG LEU A 32 5.422 -4.373 10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.104 -5.835 12.476 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.234 -6.502 10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.228 -7.174 12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.914 -4.463 13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.112 -5.745 13.116 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.373 -4.112 12.457 1.00 0.00 H new ATOM 516 N SER A 33 6.398 -4.124 7.825 1.00 0.00 N ATOM 517 CA SER A 33 5.887 -2.916 7.198 1.00 0.00 C ATOM 518 C SER A 33 5.032 -3.255 5.977 1.00 0.00 C ATOM 519 O SER A 33 3.924 -2.741 5.833 1.00 0.00 O ATOM 520 CB SER A 33 7.038 -1.975 6.827 1.00 0.00 C ATOM 521 OG SER A 33 8.070 -2.661 6.142 1.00 0.00 O ATOM 0 H SER A 33 7.411 -4.232 7.774 1.00 0.00 H new ATOM 0 HA SER A 33 5.248 -2.400 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.660 -1.166 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.441 -1.518 7.731 1.00 0.00 H new ATOM 0 HG SER A 33 8.617 -3.157 6.786 1.00 0.00 H new ATOM 527 N LEU A 34 5.533 -4.144 5.122 1.00 0.00 N ATOM 528 CA LEU A 34 4.781 -4.580 3.948 1.00 0.00 C ATOM 529 C LEU A 34 3.432 -5.166 4.361 1.00 0.00 C ATOM 530 O LEU A 34 2.398 -4.831 3.785 1.00 0.00 O ATOM 531 CB LEU A 34 5.576 -5.618 3.145 1.00 0.00 C ATOM 532 CG LEU A 34 6.852 -5.098 2.479 1.00 0.00 C ATOM 533 CD1 LEU A 34 7.622 -6.242 1.834 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.519 -4.034 1.446 1.00 0.00 C ATOM 0 H LEU A 34 6.452 -4.575 5.219 1.00 0.00 H new ATOM 0 HA LEU A 34 4.609 -3.708 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.843 -6.440 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.926 -6.030 2.373 1.00 0.00 H new ATOM 0 HG LEU A 34 7.481 -4.648 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.526 -5.853 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.893 -6.973 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.998 -6.720 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.439 -3.676 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.870 -4.460 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.010 -3.202 1.932 1.00 0.00 H new ATOM 546 N MET A 35 3.449 -6.029 5.373 1.00 0.00 N ATOM 547 CA MET A 35 2.228 -6.653 5.871 1.00 0.00 C ATOM 548 C MET A 35 1.267 -5.608 6.443 1.00 0.00 C ATOM 549 O MET A 35 0.065 -5.647 6.172 1.00 0.00 O ATOM 550 CB MET A 35 2.559 -7.704 6.934 1.00 0.00 C ATOM 551 CG MET A 35 1.332 -8.358 7.552 1.00 0.00 C ATOM 552 SD MET A 35 1.750 -9.697 8.689 1.00 0.00 S ATOM 553 CE MET A 35 2.785 -8.832 9.867 1.00 0.00 C ATOM 0 H MET A 35 4.297 -6.312 5.865 1.00 0.00 H new ATOM 0 HA MET A 35 1.736 -7.143 5.031 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.184 -8.476 6.486 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.147 -7.236 7.724 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.753 -7.603 8.084 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.695 -8.747 6.758 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.875 -9.425 10.777 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.774 -8.676 9.436 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.337 -7.867 10.106 1.00 0.00 H new ATOM 563 N ALA A 36 1.797 -4.679 7.228 1.00 0.00 N ATOM 564 CA ALA A 36 0.978 -3.633 7.834 1.00 0.00 C ATOM 565 C ALA A 36 0.360 -2.737 6.769 1.00 0.00 C ATOM 566 O ALA A 36 -0.846 -2.483 6.784 1.00 0.00 O ATOM 567 CB ALA A 36 1.807 -2.807 8.804 1.00 0.00 C ATOM 0 H ALA A 36 2.789 -4.627 7.461 1.00 0.00 H new ATOM 0 HA ALA A 36 0.169 -4.113 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.182 -2.031 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.197 -3.453 9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.637 -2.344 8.270 1.00 0.00 H new ATOM 573 N LEU A 37 1.188 -2.269 5.841 1.00 0.00 N ATOM 574 CA LEU A 37 0.723 -1.410 4.757 1.00 0.00 C ATOM 575 C LEU A 37 -0.290 -2.140 3.885 1.00 0.00 C ATOM 576 O LEU A 37 -1.304 -1.569 3.490 1.00 0.00 O ATOM 577 CB LEU A 37 1.899 -0.928 3.898 1.00 0.00 C ATOM 578 CG LEU A 37 2.597 0.357 4.371 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.652 1.541 4.282 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.120 0.205 5.790 1.00 0.00 C ATOM 0 H LEU A 37 2.188 -2.471 5.818 1.00 0.00 H new ATOM 0 HA LEU A 37 0.239 -0.542 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.641 -1.725 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.539 -0.769 2.881 1.00 0.00 H new ATOM 0 HG LEU A 37 3.447 0.538 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.164 2.442 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.331 1.673 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.781 1.360 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.609 1.129 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.290 -0.008 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.837 -0.615 5.828 1.00 0.00 H new ATOM 592 N GLY A 38 -0.012 -3.409 3.598 1.00 0.00 N ATOM 593 CA GLY A 38 -0.916 -4.209 2.795 1.00 0.00 C ATOM 594 C GLY A 38 -2.309 -4.274 3.386 1.00 0.00 C ATOM 595 O GLY A 38 -3.296 -3.996 2.703 1.00 0.00 O ATOM 0 H GLY A 38 0.827 -3.898 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.970 -3.792 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.517 -5.219 2.700 1.00 0.00 H new ATOM 599 N ASN A 39 -2.388 -4.623 4.665 1.00 0.00 N ATOM 600 CA ASN A 39 -3.670 -4.691 5.359 1.00 0.00 C ATOM 601 C ASN A 39 -4.349 -3.331 5.358 1.00 0.00 C ATOM 602 O ASN A 39 -5.562 -3.240 5.189 1.00 0.00 O ATOM 603 CB ASN A 39 -3.495 -5.180 6.800 1.00 0.00 C ATOM 604 CG ASN A 39 -3.335 -6.688 6.904 1.00 0.00 C ATOM 605 OD1 ASN A 39 -4.315 -7.420 7.047 1.00 0.00 O ATOM 606 ND2 ASN A 39 -2.102 -7.164 6.843 1.00 0.00 N ATOM 0 H ASN A 39 -1.582 -4.863 5.242 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.297 -5.405 4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.621 -4.697 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.358 -4.871 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.939 -8.168 6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.315 -6.527 6.724 1.00 0.00 H new ATOM 613 N CYS A 40 -3.559 -2.277 5.531 1.00 0.00 N ATOM 614 CA CYS A 40 -4.082 -0.918 5.548 1.00 0.00 C ATOM 615 C CYS A 40 -4.728 -0.562 4.207 1.00 0.00 C ATOM 616 O CYS A 40 -5.871 -0.107 4.164 1.00 0.00 O ATOM 617 CB CYS A 40 -2.960 0.069 5.883 1.00 0.00 C ATOM 618 SG CYS A 40 -3.503 1.782 6.064 1.00 0.00 S ATOM 0 H CYS A 40 -2.549 -2.340 5.662 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.852 -0.854 6.317 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.479 -0.247 6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.204 0.021 5.099 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.481 2.533 6.348 1.00 0.00 H new ATOM 624 N VAL A 41 -3.999 -0.799 3.120 1.00 0.00 N ATOM 625 CA VAL A 41 -4.492 -0.497 1.778 1.00 0.00 C ATOM 626 C VAL A 41 -5.760 -1.292 1.467 1.00 0.00 C ATOM 627 O VAL A 41 -6.731 -0.745 0.943 1.00 0.00 O ATOM 628 CB VAL A 41 -3.426 -0.803 0.703 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.974 -0.539 -0.694 1.00 0.00 C ATOM 630 CG2 VAL A 41 -2.163 0.011 0.945 1.00 0.00 C ATOM 0 H VAL A 41 -3.062 -1.201 3.142 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.720 0.569 1.756 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.169 -1.860 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.206 -0.761 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.842 -1.174 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.267 0.508 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.427 -0.222 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.403 1.074 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.754 -0.235 1.925 1.00 0.00 H new ATOM 640 N THR A 42 -5.759 -2.577 1.813 1.00 0.00 N ATOM 641 CA THR A 42 -6.910 -3.432 1.539 1.00 0.00 C ATOM 642 C THR A 42 -8.097 -3.012 2.413 1.00 0.00 C ATOM 643 O THR A 42 -9.256 -3.128 2.015 1.00 0.00 O ATOM 644 CB THR A 42 -6.585 -4.924 1.786 1.00 0.00 C ATOM 645 OG1 THR A 42 -5.234 -5.203 1.401 1.00 0.00 O ATOM 646 CG2 THR A 42 -7.507 -5.824 0.974 1.00 0.00 C ATOM 0 H THR A 42 -4.982 -3.045 2.279 1.00 0.00 H new ATOM 0 HA THR A 42 -7.167 -3.312 0.487 1.00 0.00 H new ATOM 0 HB THR A 42 -6.726 -5.122 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.630 -4.975 2.138 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.258 -6.868 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.542 -5.639 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.382 -5.610 -0.087 1.00 0.00 H new ATOM 654 N HIS A 43 -7.786 -2.491 3.598 1.00 0.00 N ATOM 655 CA HIS A 43 -8.803 -2.019 4.531 1.00 0.00 C ATOM 656 C HIS A 43 -9.447 -0.733 4.017 1.00 0.00 C ATOM 657 O HIS A 43 -10.608 -0.449 4.312 1.00 0.00 O ATOM 658 CB HIS A 43 -8.191 -1.794 5.921 1.00 0.00 C ATOM 659 CG HIS A 43 -9.193 -1.439 6.980 1.00 0.00 C ATOM 660 ND1 HIS A 43 -10.036 -2.362 7.556 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.485 -0.254 7.565 1.00 0.00 C ATOM 662 CE1 HIS A 43 -10.805 -1.762 8.443 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.490 -0.483 8.468 1.00 0.00 N ATOM 0 H HIS A 43 -6.829 -2.385 3.935 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.577 -2.782 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.662 -2.698 6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.450 -0.998 5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.014 0.696 7.359 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.564 -2.238 9.046 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.924 0.223 9.063 1.00 0.00 H new ATOM 672 N LEU A 44 -8.690 0.044 3.248 1.00 0.00 N ATOM 673 CA LEU A 44 -9.218 1.259 2.636 1.00 0.00 C ATOM 674 C LEU A 44 -10.310 0.908 1.632 1.00 0.00 C ATOM 675 O LEU A 44 -11.336 1.589 1.537 1.00 0.00 O ATOM 676 CB LEU A 44 -8.105 2.044 1.939 1.00 0.00 C ATOM 677 CG LEU A 44 -7.016 2.594 2.862 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.924 3.272 2.053 1.00 0.00 C ATOM 679 CD2 LEU A 44 -7.613 3.571 3.867 1.00 0.00 C ATOM 0 H LEU A 44 -7.711 -0.145 3.034 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.641 1.882 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.637 1.397 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.554 2.877 1.398 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.575 1.760 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.158 3.657 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.477 2.551 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.352 4.096 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.825 3.953 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.079 4.401 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.363 3.060 4.470 1.00 0.00 H new ATOM 691 N LEU A 45 -10.085 -0.177 0.899 1.00 0.00 N ATOM 692 CA LEU A 45 -11.051 -0.664 -0.077 1.00 0.00 C ATOM 693 C LEU A 45 -12.345 -1.072 0.619 1.00 0.00 C ATOM 694 O LEU A 45 -13.434 -0.920 0.071 1.00 0.00 O ATOM 695 CB LEU A 45 -10.470 -1.856 -0.845 1.00 0.00 C ATOM 696 CG LEU A 45 -9.151 -1.585 -1.573 1.00 0.00 C ATOM 697 CD1 LEU A 45 -8.603 -2.871 -2.169 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.345 -0.537 -2.657 1.00 0.00 C ATOM 0 H LEU A 45 -9.236 -0.739 0.964 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.269 0.138 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.318 -2.678 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.207 -2.191 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.430 -1.202 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.665 -2.663 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.427 -3.595 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.323 -3.279 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.397 -0.358 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.080 -0.892 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.697 0.391 -2.207 1.00 0.00 H new ATOM 710 N GLU A 46 -12.211 -1.564 1.842 1.00 0.00 N ATOM 711 CA GLU A 46 -13.354 -1.988 2.641 1.00 0.00 C ATOM 712 C GLU A 46 -14.148 -0.788 3.155 1.00 0.00 C ATOM 713 O GLU A 46 -15.319 -0.916 3.517 1.00 0.00 O ATOM 714 CB GLU A 46 -12.872 -2.824 3.829 1.00 0.00 C ATOM 715 CG GLU A 46 -12.218 -4.137 3.433 1.00 0.00 C ATOM 716 CD GLU A 46 -13.226 -5.203 3.057 1.00 0.00 C ATOM 717 OE1 GLU A 46 -13.683 -5.938 3.959 1.00 0.00 O ATOM 718 OE2 GLU A 46 -13.564 -5.324 1.865 1.00 0.00 O ATOM 0 H GLU A 46 -11.311 -1.681 2.308 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.007 -2.585 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.161 -2.236 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.720 -3.034 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.547 -3.964 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.606 -4.497 4.260 1.00 0.00 H new ATOM 725 N ARG A 47 -13.509 0.377 3.180 1.00 0.00 N ATOM 726 CA ARG A 47 -14.109 1.563 3.783 1.00 0.00 C ATOM 727 C ARG A 47 -14.829 2.428 2.749 1.00 0.00 C ATOM 728 O ARG A 47 -15.968 2.837 2.966 1.00 0.00 O ATOM 729 CB ARG A 47 -13.033 2.385 4.510 1.00 0.00 C ATOM 730 CG ARG A 47 -13.546 3.677 5.143 1.00 0.00 C ATOM 731 CD ARG A 47 -12.447 4.390 5.925 1.00 0.00 C ATOM 732 NE ARG A 47 -12.884 5.685 6.458 1.00 0.00 N ATOM 733 CZ ARG A 47 -12.437 6.217 7.605 1.00 0.00 C ATOM 734 NH1 ARG A 47 -11.564 5.568 8.364 1.00 0.00 N ATOM 735 NH2 ARG A 47 -12.864 7.412 7.987 1.00 0.00 N ATOM 0 H ARG A 47 -12.578 0.526 2.791 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.856 1.227 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.585 1.767 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.241 2.631 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.928 4.338 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.380 3.452 5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.120 3.754 6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.584 4.541 5.277 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.572 6.214 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.223 4.650 8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.234 5.987 9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.531 7.924 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.526 7.820 8.859 1.00 0.00 H new ATOM 749 N LYS A 48 -14.177 2.701 1.625 1.00 0.00 N ATOM 750 CA LYS A 48 -14.721 3.652 0.659 1.00 0.00 C ATOM 751 C LYS A 48 -15.065 3.018 -0.687 1.00 0.00 C ATOM 752 O LYS A 48 -15.817 3.598 -1.468 1.00 0.00 O ATOM 753 CB LYS A 48 -13.740 4.808 0.445 1.00 0.00 C ATOM 754 CG LYS A 48 -13.758 5.837 1.563 1.00 0.00 C ATOM 755 CD LYS A 48 -15.123 6.494 1.677 1.00 0.00 C ATOM 756 CE LYS A 48 -15.128 7.591 2.725 1.00 0.00 C ATOM 757 NZ LYS A 48 -16.478 8.185 2.888 1.00 0.00 N ATOM 0 H LYS A 48 -13.284 2.285 1.361 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.654 4.021 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.732 4.405 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.975 5.303 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.501 5.357 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.999 6.597 1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.409 6.911 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.869 5.742 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.791 7.185 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.419 8.369 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.444 8.931 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.789 8.594 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.149 7.447 3.183 1.00 0.00 H new ATOM 771 N VAL A 49 -14.540 1.839 -0.960 1.00 0.00 N ATOM 772 CA VAL A 49 -14.675 1.260 -2.289 1.00 0.00 C ATOM 773 C VAL A 49 -15.707 0.130 -2.315 1.00 0.00 C ATOM 774 O VAL A 49 -15.669 -0.772 -1.480 1.00 0.00 O ATOM 775 CB VAL A 49 -13.319 0.727 -2.801 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.434 0.234 -4.234 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.248 1.801 -2.693 1.00 0.00 C ATOM 0 H VAL A 49 -14.023 1.268 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.020 2.058 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.030 -0.116 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.465 -0.136 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.167 -0.571 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.752 1.055 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.300 1.407 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.537 2.665 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.139 2.102 -1.651 1.00 0.00 H new ATOM 787 N PRO A 50 -16.661 0.182 -3.263 1.00 0.00 N ATOM 788 CA PRO A 50 -17.597 -0.921 -3.502 1.00 0.00 C ATOM 789 C PRO A 50 -16.859 -2.179 -3.952 1.00 0.00 C ATOM 790 O PRO A 50 -15.836 -2.095 -4.634 1.00 0.00 O ATOM 791 CB PRO A 50 -18.505 -0.397 -4.626 1.00 0.00 C ATOM 792 CG PRO A 50 -18.337 1.082 -4.597 1.00 0.00 C ATOM 793 CD PRO A 50 -16.924 1.323 -4.153 1.00 0.00 C ATOM 0 HA PRO A 50 -18.149 -1.201 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.215 -0.809 -5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.544 -0.680 -4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.517 1.516 -5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.047 1.543 -3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -16.234 1.345 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.821 2.275 -3.631 1.00 0.00 H new ATOM 801 N SER A 51 -17.383 -3.340 -3.581 1.00 0.00 N ATOM 802 CA SER A 51 -16.700 -4.609 -3.812 1.00 0.00 C ATOM 803 C SER A 51 -16.422 -4.852 -5.300 1.00 0.00 C ATOM 804 O SER A 51 -15.403 -5.446 -5.656 1.00 0.00 O ATOM 805 CB SER A 51 -17.529 -5.748 -3.224 1.00 0.00 C ATOM 806 OG SER A 51 -18.095 -5.366 -1.979 1.00 0.00 O ATOM 0 H SER A 51 -18.286 -3.430 -3.115 1.00 0.00 H new ATOM 0 HA SER A 51 -15.732 -4.568 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.321 -6.025 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.902 -6.629 -3.089 1.00 0.00 H new ATOM 0 HG SER A 51 -18.624 -6.108 -1.619 1.00 0.00 H new ATOM 812 N GLU A 52 -17.318 -4.372 -6.163 1.00 0.00 N ATOM 813 CA GLU A 52 -17.149 -4.499 -7.612 1.00 0.00 C ATOM 814 C GLU A 52 -15.885 -3.776 -8.078 1.00 0.00 C ATOM 815 O GLU A 52 -15.191 -4.226 -8.992 1.00 0.00 O ATOM 816 CB GLU A 52 -18.366 -3.913 -8.334 1.00 0.00 C ATOM 817 CG GLU A 52 -18.294 -4.021 -9.849 1.00 0.00 C ATOM 818 CD GLU A 52 -19.364 -3.207 -10.545 1.00 0.00 C ATOM 819 OE1 GLU A 52 -19.120 -2.011 -10.815 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.452 -3.750 -10.820 1.00 0.00 O ATOM 0 H GLU A 52 -18.172 -3.890 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.055 -5.558 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.264 -4.424 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.469 -2.863 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.313 -3.688 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -18.393 -5.067 -10.140 1.00 0.00 H new ATOM 827 N SER A 53 -15.585 -2.661 -7.432 1.00 0.00 N ATOM 828 CA SER A 53 -14.453 -1.841 -7.821 1.00 0.00 C ATOM 829 C SER A 53 -13.203 -2.208 -7.027 1.00 0.00 C ATOM 830 O SER A 53 -12.095 -1.889 -7.439 1.00 0.00 O ATOM 831 CB SER A 53 -14.790 -0.363 -7.627 1.00 0.00 C ATOM 832 OG SER A 53 -15.990 -0.027 -8.306 1.00 0.00 O ATOM 0 H SER A 53 -16.112 -2.304 -6.635 1.00 0.00 H new ATOM 0 HA SER A 53 -14.244 -2.027 -8.875 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.895 -0.146 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.971 0.253 -7.999 1.00 0.00 H new ATOM 0 HG SER A 53 -16.189 0.923 -8.168 1.00 0.00 H new ATOM 838 N ARG A 54 -13.381 -2.900 -5.900 1.00 0.00 N ATOM 839 CA ARG A 54 -12.258 -3.249 -5.026 1.00 0.00 C ATOM 840 C ARG A 54 -11.168 -4.000 -5.777 1.00 0.00 C ATOM 841 O ARG A 54 -9.983 -3.741 -5.581 1.00 0.00 O ATOM 842 CB ARG A 54 -12.733 -4.080 -3.836 1.00 0.00 C ATOM 843 CG ARG A 54 -13.504 -3.270 -2.814 1.00 0.00 C ATOM 844 CD ARG A 54 -13.960 -4.116 -1.643 1.00 0.00 C ATOM 845 NE ARG A 54 -14.791 -3.343 -0.728 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.698 -3.868 0.088 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.931 -5.173 0.074 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.373 -3.076 0.913 1.00 0.00 N ATOM 0 H ARG A 54 -14.289 -3.229 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.835 -2.313 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.363 -4.893 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.870 -4.537 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.878 -2.456 -2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.372 -2.816 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.520 -4.977 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.091 -4.504 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.668 -2.331 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.413 -5.777 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.628 -5.573 0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.193 -2.072 0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.071 -3.472 1.543 1.00 0.00 H new ATOM 862 N GLN A 55 -11.572 -4.920 -6.642 1.00 0.00 N ATOM 863 CA GLN A 55 -10.614 -5.696 -7.412 1.00 0.00 C ATOM 864 C GLN A 55 -9.956 -4.808 -8.464 1.00 0.00 C ATOM 865 O GLN A 55 -8.731 -4.766 -8.573 1.00 0.00 O ATOM 866 CB GLN A 55 -11.305 -6.899 -8.065 1.00 0.00 C ATOM 867 CG GLN A 55 -10.403 -8.118 -8.241 1.00 0.00 C ATOM 868 CD GLN A 55 -9.404 -7.977 -9.374 1.00 0.00 C ATOM 869 OE1 GLN A 55 -9.682 -8.352 -10.510 1.00 0.00 O ATOM 870 NE2 GLN A 55 -8.225 -7.450 -9.075 1.00 0.00 N ATOM 0 H GLN A 55 -12.550 -5.145 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.840 -6.074 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.166 -7.182 -7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.687 -6.599 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.862 -8.297 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.024 -8.995 -8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.028 -7.149 -8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.515 -7.345 -9.799 1.00 0.00 H new ATOM 879 N ALA A 56 -10.776 -4.075 -9.211 1.00 0.00 N ATOM 880 CA ALA A 56 -10.284 -3.198 -10.269 1.00 0.00 C ATOM 881 C ALA A 56 -9.329 -2.138 -9.719 1.00 0.00 C ATOM 882 O ALA A 56 -8.255 -1.912 -10.277 1.00 0.00 O ATOM 883 CB ALA A 56 -11.448 -2.541 -10.995 1.00 0.00 C ATOM 0 H ALA A 56 -11.790 -4.071 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.726 -3.810 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.066 -1.890 -11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.082 -3.310 -11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.032 -1.952 -10.288 1.00 0.00 H new ATOM 889 N VAL A 57 -9.723 -1.496 -8.619 1.00 0.00 N ATOM 890 CA VAL A 57 -8.892 -0.484 -7.976 1.00 0.00 C ATOM 891 C VAL A 57 -7.565 -1.085 -7.532 1.00 0.00 C ATOM 892 O VAL A 57 -6.508 -0.528 -7.808 1.00 0.00 O ATOM 893 CB VAL A 57 -9.593 0.166 -6.756 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.648 1.114 -6.031 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.850 0.911 -7.181 1.00 0.00 C ATOM 0 H VAL A 57 -10.616 -1.661 -8.155 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.717 0.295 -8.718 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.878 -0.635 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.162 1.558 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.776 0.562 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.329 1.902 -6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.322 1.357 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.586 1.695 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.544 0.215 -7.652 1.00 0.00 H new ATOM 905 N ALA A 58 -7.624 -2.233 -6.866 1.00 0.00 N ATOM 906 CA ALA A 58 -6.418 -2.904 -6.393 1.00 0.00 C ATOM 907 C ALA A 58 -5.520 -3.300 -7.562 1.00 0.00 C ATOM 908 O ALA A 58 -4.292 -3.242 -7.465 1.00 0.00 O ATOM 909 CB ALA A 58 -6.782 -4.126 -5.563 1.00 0.00 C ATOM 0 H ALA A 58 -8.493 -2.718 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.866 -2.207 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.871 -4.616 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.377 -3.818 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.359 -4.821 -6.173 1.00 0.00 H new ATOM 915 N GLU A 59 -6.144 -3.687 -8.667 1.00 0.00 N ATOM 916 CA GLU A 59 -5.422 -4.095 -9.862 1.00 0.00 C ATOM 917 C GLU A 59 -4.654 -2.909 -10.442 1.00 0.00 C ATOM 918 O GLU A 59 -3.464 -3.011 -10.751 1.00 0.00 O ATOM 919 CB GLU A 59 -6.404 -4.639 -10.903 1.00 0.00 C ATOM 920 CG GLU A 59 -5.763 -5.524 -11.959 1.00 0.00 C ATOM 921 CD GLU A 59 -5.326 -6.864 -11.397 1.00 0.00 C ATOM 922 OE1 GLU A 59 -6.205 -7.653 -10.987 1.00 0.00 O ATOM 923 OE2 GLU A 59 -4.107 -7.138 -11.363 1.00 0.00 O ATOM 0 H GLU A 59 -7.159 -3.726 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.713 -4.879 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.181 -5.207 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.895 -3.800 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.470 -5.686 -12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.900 -5.012 -12.385 1.00 0.00 H new ATOM 930 N GLN A 60 -5.342 -1.782 -10.574 1.00 0.00 N ATOM 931 CA GLN A 60 -4.725 -0.570 -11.104 1.00 0.00 C ATOM 932 C GLN A 60 -3.725 0.005 -10.107 1.00 0.00 C ATOM 933 O GLN A 60 -2.693 0.550 -10.495 1.00 0.00 O ATOM 934 CB GLN A 60 -5.793 0.474 -11.441 1.00 0.00 C ATOM 935 CG GLN A 60 -6.793 0.009 -12.489 1.00 0.00 C ATOM 936 CD GLN A 60 -7.813 1.075 -12.837 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.872 1.164 -12.218 1.00 0.00 O ATOM 938 NE2 GLN A 60 -7.503 1.892 -13.830 1.00 0.00 N ATOM 0 H GLN A 60 -6.325 -1.681 -10.322 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.192 -0.832 -12.018 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.331 0.738 -10.530 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.303 1.381 -11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.257 -0.284 -13.392 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.311 -0.878 -12.123 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.614 1.786 -14.319 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.153 2.628 -14.106 1.00 0.00 H new ATOM 947 N PHE A 61 -4.041 -0.126 -8.823 1.00 0.00 N ATOM 948 CA PHE A 61 -3.150 0.302 -7.747 1.00 0.00 C ATOM 949 C PHE A 61 -1.801 -0.393 -7.873 1.00 0.00 C ATOM 950 O PHE A 61 -0.750 0.244 -7.837 1.00 0.00 O ATOM 951 CB PHE A 61 -3.785 -0.029 -6.392 1.00 0.00 C ATOM 952 CG PHE A 61 -2.969 0.382 -5.199 1.00 0.00 C ATOM 953 CD1 PHE A 61 -1.935 -0.418 -4.732 1.00 0.00 C ATOM 954 CD2 PHE A 61 -3.245 1.566 -4.538 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.196 -0.041 -3.631 1.00 0.00 C ATOM 956 CE2 PHE A 61 -2.512 1.944 -3.433 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.485 1.138 -2.980 1.00 0.00 C ATOM 0 H PHE A 61 -4.919 -0.531 -8.498 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.996 1.379 -7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.759 0.457 -6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.962 -1.103 -6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.707 -1.345 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.044 2.201 -4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.391 -0.669 -3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.740 2.868 -2.923 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.909 1.433 -2.115 1.00 0.00 H new ATOM 967 N ALA A 62 -1.855 -1.703 -8.029 1.00 0.00 N ATOM 968 CA ALA A 62 -0.661 -2.514 -8.187 1.00 0.00 C ATOM 969 C ALA A 62 0.145 -2.075 -9.403 1.00 0.00 C ATOM 970 O ALA A 62 1.376 -1.957 -9.351 1.00 0.00 O ATOM 971 CB ALA A 62 -1.063 -3.970 -8.323 1.00 0.00 C ATOM 0 H ALA A 62 -2.726 -2.234 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.030 -2.386 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.170 -4.584 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.603 -4.283 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.705 -4.090 -9.196 1.00 0.00 H new ATOM 977 N LYS A 63 -0.563 -1.819 -10.491 1.00 0.00 N ATOM 978 CA LYS A 63 0.062 -1.411 -11.738 1.00 0.00 C ATOM 979 C LYS A 63 0.668 -0.016 -11.590 1.00 0.00 C ATOM 980 O LYS A 63 1.672 0.306 -12.224 1.00 0.00 O ATOM 981 CB LYS A 63 -0.977 -1.449 -12.860 1.00 0.00 C ATOM 982 CG LYS A 63 -0.384 -1.549 -14.257 1.00 0.00 C ATOM 983 CD LYS A 63 -1.373 -2.182 -15.222 1.00 0.00 C ATOM 984 CE LYS A 63 -1.749 -3.585 -14.771 1.00 0.00 C ATOM 985 NZ LYS A 63 -2.825 -4.181 -15.601 1.00 0.00 N ATOM 0 H LYS A 63 -1.580 -1.887 -10.535 1.00 0.00 H new ATOM 0 HA LYS A 63 0.869 -2.099 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.640 -2.299 -12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.591 -0.550 -12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.109 -0.556 -14.612 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.531 -2.141 -14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.269 -1.565 -15.288 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.938 -2.221 -16.221 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.867 -4.224 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.073 -3.554 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.044 -5.136 -15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.677 -3.588 -15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.509 -4.237 -16.590 1.00 0.00 H new ATOM 999 N ALA A 64 0.065 0.792 -10.721 1.00 0.00 N ATOM 1000 CA ALA A 64 0.565 2.128 -10.424 1.00 0.00 C ATOM 1001 C ALA A 64 1.929 2.054 -9.749 1.00 0.00 C ATOM 1002 O ALA A 64 2.827 2.845 -10.053 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.419 2.885 -9.541 1.00 0.00 C ATOM 0 H ALA A 64 -0.779 0.539 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 64 0.673 2.667 -11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.028 3.880 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.376 2.973 -10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.558 2.344 -8.605 1.00 0.00 H new ATOM 1009 N LEU A 65 2.084 1.097 -8.837 1.00 0.00 N ATOM 1010 CA LEU A 65 3.347 0.919 -8.129 1.00 0.00 C ATOM 1011 C LEU A 65 4.442 0.536 -9.116 1.00 0.00 C ATOM 1012 O LEU A 65 5.570 1.026 -9.032 1.00 0.00 O ATOM 1013 CB LEU A 65 3.235 -0.161 -7.045 1.00 0.00 C ATOM 1014 CG LEU A 65 1.994 -0.097 -6.159 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.111 -1.094 -5.018 1.00 0.00 C ATOM 1016 CD2 LEU A 65 1.767 1.303 -5.622 1.00 0.00 C ATOM 0 H LEU A 65 1.354 0.436 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 65 3.596 1.863 -7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.261 -1.137 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.116 -0.099 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 65 1.131 -0.360 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.219 -1.038 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.208 -2.101 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.990 -0.859 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.875 1.312 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.629 1.610 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.633 1.994 -6.454 1.00 0.00 H new ATOM 1028 N ALA A 66 4.089 -0.330 -10.063 1.00 0.00 N ATOM 1029 CA ALA A 66 5.017 -0.754 -11.105 1.00 0.00 C ATOM 1030 C ALA A 66 5.503 0.442 -11.920 1.00 0.00 C ATOM 1031 O ALA A 66 6.689 0.546 -12.242 1.00 0.00 O ATOM 1032 CB ALA A 66 4.361 -1.782 -12.013 1.00 0.00 C ATOM 0 H ALA A 66 3.163 -0.752 -10.129 1.00 0.00 H new ATOM 0 HA ALA A 66 5.881 -1.213 -10.625 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.067 -2.088 -12.785 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.067 -2.651 -11.425 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.479 -1.344 -12.480 1.00 0.00 H new ATOM 1038 N GLN A 67 4.583 1.347 -12.241 1.00 0.00 N ATOM 1039 CA GLN A 67 4.921 2.534 -13.017 1.00 0.00 C ATOM 1040 C GLN A 67 5.801 3.470 -12.198 1.00 0.00 C ATOM 1041 O GLN A 67 6.662 4.162 -12.739 1.00 0.00 O ATOM 1042 CB GLN A 67 3.658 3.274 -13.471 1.00 0.00 C ATOM 1043 CG GLN A 67 2.640 2.390 -14.178 1.00 0.00 C ATOM 1044 CD GLN A 67 3.237 1.567 -15.305 1.00 0.00 C ATOM 1045 OE1 GLN A 67 4.197 1.977 -15.958 1.00 0.00 O ATOM 1046 NE2 GLN A 67 2.665 0.396 -15.539 1.00 0.00 N ATOM 0 H GLN A 67 3.600 1.281 -11.976 1.00 0.00 H new ATOM 0 HA GLN A 67 5.468 2.210 -13.902 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.185 3.731 -12.602 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.946 4.085 -14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.184 1.719 -13.450 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.842 3.016 -14.578 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.871 0.094 -14.974 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.018 -0.204 -16.284 1.00 0.00 H new ATOM 1055 N SER A 68 5.587 3.479 -10.890 1.00 0.00 N ATOM 1056 CA SER A 68 6.375 4.307 -9.993 1.00 0.00 C ATOM 1057 C SER A 68 7.830 3.846 -9.987 1.00 0.00 C ATOM 1058 O SER A 68 8.750 4.664 -10.039 1.00 0.00 O ATOM 1059 CB SER A 68 5.788 4.256 -8.584 1.00 0.00 C ATOM 1060 OG SER A 68 4.417 4.618 -8.598 1.00 0.00 O ATOM 0 H SER A 68 4.871 2.919 -10.427 1.00 0.00 H new ATOM 0 HA SER A 68 6.345 5.338 -10.345 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.900 3.252 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.341 4.931 -7.930 1.00 0.00 H new ATOM 0 HG SER A 68 3.900 3.922 -9.054 1.00 0.00 H new ATOM 1066 N VAL A 69 8.027 2.527 -9.947 1.00 0.00 N ATOM 1067 CA VAL A 69 9.365 1.949 -10.011 1.00 0.00 C ATOM 1068 C VAL A 69 10.037 2.324 -11.330 1.00 0.00 C ATOM 1069 O VAL A 69 11.194 2.747 -11.351 1.00 0.00 O ATOM 1070 CB VAL A 69 9.335 0.406 -9.871 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.745 -0.170 -9.871 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.598 -0.005 -8.605 1.00 0.00 C ATOM 0 H VAL A 69 7.276 1.842 -9.871 1.00 0.00 H new ATOM 0 HA VAL A 69 9.934 2.355 -9.175 1.00 0.00 H new ATOM 0 HB VAL A 69 8.801 0.003 -10.731 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.695 -1.254 -9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.243 0.086 -10.806 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.308 0.245 -9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.589 -1.092 -8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.103 0.417 -7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.573 0.365 -8.644 1.00 0.00 H new ATOM 1082 N LYS A 70 9.288 2.189 -12.423 1.00 0.00 N ATOM 1083 CA LYS A 70 9.787 2.539 -13.751 1.00 0.00 C ATOM 1084 C LYS A 70 10.194 4.008 -13.817 1.00 0.00 C ATOM 1085 O LYS A 70 11.271 4.343 -14.311 1.00 0.00 O ATOM 1086 CB LYS A 70 8.725 2.264 -14.820 1.00 0.00 C ATOM 1087 CG LYS A 70 8.376 0.799 -15.000 1.00 0.00 C ATOM 1088 CD LYS A 70 7.456 0.612 -16.195 1.00 0.00 C ATOM 1089 CE LYS A 70 7.047 -0.840 -16.382 1.00 0.00 C ATOM 1090 NZ LYS A 70 6.321 -1.044 -17.665 1.00 0.00 N ATOM 0 H LYS A 70 8.330 1.838 -12.414 1.00 0.00 H new ATOM 0 HA LYS A 70 10.663 1.919 -13.942 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.818 2.811 -14.562 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.076 2.660 -15.773 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.287 0.217 -15.141 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.892 0.421 -14.099 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.564 1.225 -16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.957 0.966 -17.096 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.933 -1.474 -16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.413 -1.150 -15.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.057 -2.046 -17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.462 -0.458 -17.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.935 -0.772 -18.459 1.00 0.00 H new ATOM 1392 N SER B 8 3.878 -10.109 17.130 1.00 0.00 N ATOM 1393 CA SER B 8 2.706 -10.425 17.921 1.00 0.00 C ATOM 1394 C SER B 8 1.487 -9.792 17.264 1.00 0.00 C ATOM 1395 O SER B 8 1.602 -8.731 16.638 1.00 0.00 O ATOM 1396 CB SER B 8 2.876 -9.910 19.357 1.00 0.00 C ATOM 1397 OG SER B 8 1.751 -10.229 20.163 1.00 0.00 O ATOM 0 HA SER B 8 2.573 -11.506 17.968 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.774 -10.345 19.796 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.019 -8.830 19.342 1.00 0.00 H new ATOM 0 HG SER B 8 1.892 -9.889 21.071 1.00 0.00 H new ATOM 1403 N ASN B 9 0.330 -10.436 17.390 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.900 -9.922 16.789 1.00 0.00 C ATOM 1405 C ASN B 9 -1.209 -8.535 17.330 1.00 0.00 C ATOM 1406 O ASN B 9 -1.625 -7.650 16.587 1.00 0.00 O ATOM 1407 CB ASN B 9 -2.087 -10.855 17.050 1.00 0.00 C ATOM 1408 CG ASN B 9 -1.861 -12.261 16.525 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -2.136 -12.560 15.360 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -1.378 -13.139 17.388 1.00 0.00 N ATOM 0 H ASN B 9 0.217 -11.312 17.901 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.743 -9.867 15.712 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -2.278 -10.900 18.122 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.980 -10.438 16.584 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -1.220 -14.104 17.099 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -1.164 -12.851 18.343 1.00 0.00 H new ATOM 1417 N THR B 10 -0.974 -8.350 18.624 1.00 0.00 N ATOM 1418 CA THR B 10 -1.199 -7.069 19.278 1.00 0.00 C ATOM 1419 C THR B 10 -0.351 -5.971 18.634 1.00 0.00 C ATOM 1420 O THR B 10 -0.836 -4.864 18.387 1.00 0.00 O ATOM 1421 CB THR B 10 -0.864 -7.168 20.778 1.00 0.00 C ATOM 1422 OG1 THR B 10 -1.509 -8.320 21.338 1.00 0.00 O ATOM 1423 CG2 THR B 10 -1.319 -5.921 21.522 1.00 0.00 C ATOM 0 H THR B 10 -0.624 -9.080 19.245 1.00 0.00 H new ATOM 0 HA THR B 10 -2.252 -6.812 19.160 1.00 0.00 H new ATOM 0 HB THR B 10 0.217 -7.258 20.884 1.00 0.00 H new ATOM 0 HG1 THR B 10 -1.294 -8.384 22.292 1.00 0.00 H new ATOM 0 HG21 THR B 10 -1.070 -6.017 22.579 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.816 -5.047 21.109 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.397 -5.805 21.412 1.00 0.00 H new ATOM 1431 N GLN B 11 0.908 -6.296 18.347 1.00 0.00 N ATOM 1432 CA GLN B 11 1.834 -5.356 17.725 1.00 0.00 C ATOM 1433 C GLN B 11 1.348 -4.944 16.340 1.00 0.00 C ATOM 1434 O GLN B 11 1.226 -3.756 16.047 1.00 0.00 O ATOM 1435 CB GLN B 11 3.228 -5.977 17.620 1.00 0.00 C ATOM 1436 CG GLN B 11 4.250 -5.084 16.934 1.00 0.00 C ATOM 1437 CD GLN B 11 5.602 -5.749 16.795 1.00 0.00 C ATOM 1438 OE1 GLN B 11 5.699 -6.971 16.685 1.00 0.00 O ATOM 1439 NE2 GLN B 11 6.656 -4.951 16.809 1.00 0.00 N ATOM 0 H GLN B 11 1.312 -7.213 18.538 1.00 0.00 H new ATOM 0 HA GLN B 11 1.882 -4.466 18.353 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.584 -6.217 18.622 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.156 -6.917 17.073 1.00 0.00 H new ATOM 0 HG2 GLN B 11 3.881 -4.808 15.946 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.360 -4.160 17.502 1.00 0.00 H new ATOM 0 HE21 GLN B 11 6.531 -3.943 16.902 1.00 0.00 H new ATOM 0 HE22 GLN B 11 7.594 -5.343 16.727 1.00 0.00 H new ATOM 1448 N VAL B 12 1.062 -5.930 15.501 1.00 0.00 N ATOM 1449 CA VAL B 12 0.619 -5.665 14.138 1.00 0.00 C ATOM 1450 C VAL B 12 -0.699 -4.898 14.148 1.00 0.00 C ATOM 1451 O VAL B 12 -0.865 -3.920 13.420 1.00 0.00 O ATOM 1452 CB VAL B 12 0.443 -6.975 13.340 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.079 -6.688 11.890 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.703 -7.820 13.419 1.00 0.00 C ATOM 0 H VAL B 12 1.128 -6.920 15.739 1.00 0.00 H new ATOM 0 HA VAL B 12 1.388 -5.064 13.653 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.378 -7.535 13.787 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.039 -7.628 11.351 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.856 -6.129 11.853 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.871 -6.101 11.425 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.561 -8.739 12.851 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.542 -7.262 13.003 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.912 -8.066 14.460 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.617 -5.337 15.003 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.929 -4.711 15.123 1.00 0.00 C ATOM 1466 C GLU B 13 -2.805 -3.237 15.512 1.00 0.00 C ATOM 1467 O GLU B 13 -3.391 -2.367 14.866 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.770 -5.450 16.164 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.170 -4.890 16.335 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.929 -5.594 17.436 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.567 -6.626 17.156 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -5.883 -5.125 18.594 1.00 0.00 O ATOM 0 H GLU B 13 -1.474 -6.131 15.628 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.419 -4.769 14.151 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.842 -6.500 15.880 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.255 -5.414 17.124 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.110 -3.825 16.559 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.717 -4.988 15.397 1.00 0.00 H new ATOM 1479 N SER B 14 -2.031 -2.960 16.557 1.00 0.00 N ATOM 1480 CA SER B 14 -1.879 -1.597 17.046 1.00 0.00 C ATOM 1481 C SER B 14 -1.137 -0.735 16.029 1.00 0.00 C ATOM 1482 O SER B 14 -1.470 0.434 15.838 1.00 0.00 O ATOM 1483 CB SER B 14 -1.156 -1.581 18.397 1.00 0.00 C ATOM 1484 OG SER B 14 0.076 -2.279 18.335 1.00 0.00 O ATOM 0 H SER B 14 -1.502 -3.659 17.078 1.00 0.00 H new ATOM 0 HA SER B 14 -2.875 -1.176 17.187 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.976 -0.550 18.703 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.793 -2.032 19.157 1.00 0.00 H new ATOM 0 HG SER B 14 -0.081 -3.234 18.491 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.148 -1.331 15.365 1.00 0.00 N ATOM 1491 CA LEU B 15 0.626 -0.641 14.343 1.00 0.00 C ATOM 1492 C LEU B 15 -0.281 -0.180 13.208 1.00 0.00 C ATOM 1493 O LEU B 15 -0.279 0.994 12.842 1.00 0.00 O ATOM 1494 CB LEU B 15 1.725 -1.559 13.799 1.00 0.00 C ATOM 1495 CG LEU B 15 2.682 -0.913 12.796 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.443 0.233 13.443 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.650 -1.947 12.243 1.00 0.00 C ATOM 0 H LEU B 15 0.135 -2.298 15.521 1.00 0.00 H new ATOM 0 HA LEU B 15 1.091 0.235 14.795 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.307 -1.938 14.639 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.254 -2.419 13.324 1.00 0.00 H new ATOM 0 HG LEU B 15 2.094 -0.512 11.971 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.118 0.679 12.713 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.737 0.987 13.793 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.020 -0.144 14.288 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.324 -1.470 11.531 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.230 -2.376 13.060 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.091 -2.737 11.741 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.071 -1.110 12.676 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.025 -0.795 11.616 1.00 0.00 C ATOM 1511 C ILE B 16 -2.998 0.282 12.083 1.00 0.00 C ATOM 1512 O ILE B 16 -3.287 1.233 11.354 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.817 -2.049 11.177 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.866 -3.098 10.590 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.899 -1.682 10.166 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.541 -4.411 10.251 1.00 0.00 C ATOM 0 H ILE B 16 -1.069 -2.089 12.962 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.457 -0.429 10.761 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.305 -2.472 12.055 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.405 -2.694 9.689 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.063 -3.286 11.302 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.442 -2.580 9.872 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.591 -0.970 10.616 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.438 -1.233 9.286 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.805 -5.103 9.841 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -2.978 -4.839 11.153 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.326 -4.237 9.515 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.479 0.135 13.314 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.399 1.098 13.897 1.00 0.00 C ATOM 1530 C ALA B 17 -3.769 2.484 13.980 1.00 0.00 C ATOM 1531 O ALA B 17 -4.439 3.485 13.739 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.848 0.635 15.273 1.00 0.00 C ATOM 0 H ALA B 17 -3.244 -0.646 13.927 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.272 1.165 13.247 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.536 1.366 15.696 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.350 -0.328 15.187 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -3.980 0.534 15.924 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.481 2.535 14.312 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.761 3.801 14.394 1.00 0.00 C ATOM 1540 C GLU B 18 -1.719 4.492 13.037 1.00 0.00 C ATOM 1541 O GLU B 18 -2.003 5.686 12.930 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.338 3.586 14.920 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.271 3.301 16.410 1.00 0.00 C ATOM 1544 CD GLU B 18 1.144 3.052 16.892 1.00 0.00 C ATOM 1545 OE1 GLU B 18 1.929 4.020 16.972 1.00 0.00 O ATOM 1546 OE2 GLU B 18 1.479 1.892 17.212 1.00 0.00 O ATOM 0 H GLU B 18 -1.916 1.714 14.528 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.297 4.443 15.093 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.117 2.756 14.380 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.258 4.473 14.702 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.694 4.144 16.957 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.887 2.431 16.638 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.380 3.732 12.003 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.320 4.267 10.647 1.00 0.00 C ATOM 1555 C ILE B 19 -2.699 4.778 10.228 1.00 0.00 C ATOM 1556 O ILE B 19 -2.826 5.826 9.590 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.841 3.203 9.632 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.328 2.393 10.203 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.415 3.877 8.334 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.689 1.183 9.368 1.00 0.00 C ATOM 0 H ILE B 19 -1.142 2.743 12.077 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.600 5.086 10.648 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.669 2.523 9.432 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.201 3.040 10.287 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.075 2.066 11.212 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.079 3.121 7.625 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.260 4.421 7.912 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.400 4.573 8.536 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.524 0.657 9.831 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.170 0.515 9.305 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.974 1.504 8.366 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.730 4.034 10.615 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.106 4.413 10.321 1.00 0.00 C ATOM 1574 C LEU B 20 -5.485 5.701 11.044 1.00 0.00 C ATOM 1575 O LEU B 20 -6.134 6.568 10.464 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.072 3.293 10.710 1.00 0.00 C ATOM 1577 CG LEU B 20 -5.941 2.003 9.896 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -6.886 0.940 10.432 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.220 2.270 8.424 1.00 0.00 C ATOM 0 H LEU B 20 -3.637 3.162 11.135 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.180 4.584 9.247 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -5.921 3.055 11.763 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.092 3.664 10.610 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.919 1.637 9.991 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.781 0.029 9.843 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.643 0.729 11.473 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -7.913 1.299 10.365 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.122 1.342 7.861 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.232 2.659 8.310 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.506 3.001 8.045 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.072 5.827 12.308 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.343 7.036 13.090 1.00 0.00 C ATOM 1593 C VAL B 21 -4.776 8.269 12.395 1.00 0.00 C ATOM 1594 O VAL B 21 -5.415 9.323 12.353 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.757 6.940 14.521 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -4.838 8.280 15.241 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.491 5.878 15.322 1.00 0.00 C ATOM 0 H VAL B 21 -4.550 5.109 12.810 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.427 7.127 13.166 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.707 6.661 14.433 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.419 8.181 16.242 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.273 9.027 14.684 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -5.880 8.592 15.313 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.068 5.822 16.325 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.548 6.137 15.387 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.384 4.912 14.829 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.584 8.121 11.838 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.935 9.203 11.111 1.00 0.00 C ATOM 1609 C VAL B 22 -3.775 9.634 9.910 1.00 0.00 C ATOM 1610 O VAL B 22 -3.972 10.826 9.668 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.529 8.788 10.628 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.888 9.908 9.826 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.648 8.405 11.807 1.00 0.00 C ATOM 0 H VAL B 22 -3.043 7.257 11.876 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.838 10.042 11.800 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.633 7.917 9.981 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.103 9.597 9.494 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.507 10.134 8.958 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.799 10.797 10.450 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.339 8.116 11.445 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.552 9.256 12.481 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.098 7.568 12.341 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.285 8.662 9.168 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.101 8.952 7.999 1.00 0.00 C ATOM 1625 C LEU B 23 -6.462 9.486 8.420 1.00 0.00 C ATOM 1626 O LEU B 23 -7.022 10.367 7.765 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.281 7.694 7.146 1.00 0.00 C ATOM 1628 CG LEU B 23 -3.987 7.047 6.659 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.283 5.728 5.964 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.242 7.991 5.726 1.00 0.00 C ATOM 0 H LEU B 23 -4.149 7.668 9.354 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.590 9.711 7.407 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.840 6.959 7.725 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -5.891 7.947 6.279 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.352 6.845 7.522 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.350 5.279 5.623 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.777 5.052 6.662 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.935 5.906 5.108 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.321 7.516 5.387 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.869 8.222 4.865 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.001 8.912 6.257 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.984 8.947 9.512 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.254 9.393 10.070 1.00 0.00 C ATOM 1644 C GLU B 24 -8.152 10.858 10.474 1.00 0.00 C ATOM 1645 O GLU B 24 -9.072 11.643 10.254 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.624 8.534 11.282 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.051 8.735 11.762 1.00 0.00 C ATOM 1648 CD GLU B 24 -11.073 8.355 10.711 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.271 7.148 10.484 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.676 9.263 10.104 1.00 0.00 O ATOM 0 H GLU B 24 -6.542 8.191 10.035 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.034 9.287 9.316 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.480 7.484 11.029 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.940 8.762 12.100 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -10.217 8.138 12.659 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.193 9.779 12.043 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.009 11.214 11.051 1.00 0.00 N ATOM 1658 CA LYS B 25 -6.702 12.596 11.407 1.00 0.00 C ATOM 1659 C LYS B 25 -6.744 13.491 10.169 1.00 0.00 C ATOM 1660 O LYS B 25 -7.104 14.666 10.245 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.310 12.665 12.043 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.889 14.062 12.474 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.387 14.142 12.706 1.00 0.00 C ATOM 1664 CE LYS B 25 -2.927 13.180 13.788 1.00 0.00 C ATOM 1665 NZ LYS B 25 -1.447 13.177 13.922 1.00 0.00 N ATOM 0 H LYS B 25 -6.269 10.553 11.285 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.449 12.948 12.118 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.287 12.007 12.911 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -4.579 12.281 11.332 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.180 14.783 11.710 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.415 14.336 13.388 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.864 13.919 11.776 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.117 15.160 12.987 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.379 13.459 14.740 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.274 12.174 13.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -1.142 12.296 14.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.013 13.242 12.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.149 13.990 14.497 1.00 0.00 H new ATOM 1679 N HIS B 26 -6.386 12.920 9.029 1.00 0.00 N ATOM 1680 CA HIS B 26 -6.320 13.673 7.782 1.00 0.00 C ATOM 1681 C HIS B 26 -7.689 13.760 7.117 1.00 0.00 C ATOM 1682 O HIS B 26 -7.962 14.709 6.378 1.00 0.00 O ATOM 1683 CB HIS B 26 -5.324 13.026 6.813 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.914 12.979 7.318 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.950 12.142 6.791 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -3.301 13.677 8.301 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -1.809 12.332 7.429 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -1.997 13.257 8.346 1.00 0.00 N ATOM 0 H HIS B 26 -6.136 11.935 8.940 1.00 0.00 H new ATOM 0 HA HIS B 26 -5.984 14.681 8.026 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -5.654 12.010 6.596 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.342 13.575 5.871 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.755 14.426 8.933 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.881 11.816 7.232 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -1.285 13.606 8.988 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.543 12.764 7.385 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.853 12.665 6.739 1.00 0.00 C ATOM 1699 C LYS B 27 -9.687 12.620 5.223 1.00 0.00 C ATOM 1700 O LYS B 27 -10.495 13.169 4.476 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.748 13.840 7.147 1.00 0.00 C ATOM 1702 CG LYS B 27 -11.290 13.734 8.563 1.00 0.00 C ATOM 1703 CD LYS B 27 -12.331 12.631 8.680 1.00 0.00 C ATOM 1704 CE LYS B 27 -12.786 12.438 10.120 1.00 0.00 C ATOM 1705 NZ LYS B 27 -11.744 11.774 10.944 1.00 0.00 N ATOM 0 H LYS B 27 -8.347 12.014 8.048 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.334 11.743 7.067 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -10.181 14.766 7.053 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.585 13.906 6.451 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.470 13.537 9.254 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -11.732 14.686 8.857 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.191 12.874 8.056 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.916 11.697 8.301 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.032 13.406 10.556 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.697 11.840 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -11.771 12.155 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -11.923 10.750 10.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -10.807 11.951 10.528 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.638 11.937 4.788 1.00 0.00 N ATOM 1720 CA ALA B 28 -8.287 11.878 3.379 1.00 0.00 C ATOM 1721 C ALA B 28 -9.315 11.087 2.582 1.00 0.00 C ATOM 1722 O ALA B 28 -9.761 10.022 3.014 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.906 11.262 3.208 1.00 0.00 C ATOM 0 H ALA B 28 -8.011 11.412 5.398 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.276 12.898 2.994 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.654 11.223 2.148 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -6.169 11.869 3.734 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.905 10.252 3.619 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.718 11.613 1.415 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.623 10.911 0.504 1.00 0.00 C ATOM 1731 C PRO B 29 -9.922 9.740 -0.177 1.00 0.00 C ATOM 1732 O PRO B 29 -8.712 9.561 -0.020 1.00 0.00 O ATOM 1733 CB PRO B 29 -11.001 11.983 -0.522 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.857 12.935 -0.509 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.332 12.940 0.900 1.00 0.00 C ATOM 0 HA PRO B 29 -11.485 10.484 1.016 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.146 11.551 -1.512 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.933 12.479 -0.252 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.084 12.624 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.177 13.933 -0.809 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.252 13.082 0.925 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.773 13.744 1.490 1.00 0.00 H new ATOM 1743 N THR B 30 -10.678 8.963 -0.944 1.00 0.00 N ATOM 1744 CA THR B 30 -10.151 7.776 -1.611 1.00 0.00 C ATOM 1745 C THR B 30 -8.952 8.125 -2.496 1.00 0.00 C ATOM 1746 O THR B 30 -7.966 7.388 -2.541 1.00 0.00 O ATOM 1747 CB THR B 30 -11.240 7.112 -2.474 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.524 7.276 -1.851 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.959 5.628 -2.656 1.00 0.00 C ATOM 0 H THR B 30 -11.668 9.135 -1.121 1.00 0.00 H new ATOM 0 HA THR B 30 -9.827 7.082 -0.835 1.00 0.00 H new ATOM 0 HB THR B 30 -11.238 7.593 -3.452 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.213 6.853 -2.405 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.742 5.182 -3.269 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.995 5.498 -3.148 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.938 5.139 -1.682 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.044 9.262 -3.179 1.00 0.00 N ATOM 1758 CA ASP B 31 -7.963 9.746 -4.044 1.00 0.00 C ATOM 1759 C ASP B 31 -6.656 9.872 -3.278 1.00 0.00 C ATOM 1760 O ASP B 31 -5.638 9.295 -3.654 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.305 11.122 -4.626 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.369 11.082 -5.697 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.535 10.781 -5.370 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -9.052 11.393 -6.861 1.00 0.00 O ATOM 0 H ASP B 31 -9.861 9.872 -3.152 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.850 9.016 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.639 11.775 -3.819 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.400 11.566 -5.042 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.701 10.626 -2.191 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.493 11.000 -1.471 1.00 0.00 C ATOM 1771 C LEU B 32 -4.972 9.851 -0.616 1.00 0.00 C ATOM 1772 O LEU B 32 -3.764 9.698 -0.447 1.00 0.00 O ATOM 1773 CB LEU B 32 -5.770 12.238 -0.610 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.558 12.836 0.110 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.449 13.162 -0.881 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -4.968 14.088 0.870 1.00 0.00 C ATOM 0 H LEU B 32 -7.563 10.992 -1.787 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.717 11.236 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.207 13.008 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.520 11.977 0.137 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.179 12.099 0.818 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.598 13.586 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.140 12.251 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.815 13.883 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.099 14.506 1.379 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.368 14.823 0.171 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.731 13.834 1.605 1.00 0.00 H new ATOM 1788 N SER B 33 -5.878 9.038 -0.090 1.00 0.00 N ATOM 1789 CA SER B 33 -5.486 7.914 0.747 1.00 0.00 C ATOM 1790 C SER B 33 -4.714 6.873 -0.059 1.00 0.00 C ATOM 1791 O SER B 33 -3.571 6.555 0.265 1.00 0.00 O ATOM 1792 CB SER B 33 -6.718 7.286 1.402 1.00 0.00 C ATOM 1793 OG SER B 33 -7.748 7.081 0.453 1.00 0.00 O ATOM 0 H SER B 33 -6.884 9.135 -0.227 1.00 0.00 H new ATOM 0 HA SER B 33 -4.826 8.286 1.531 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.446 6.335 1.860 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.079 7.933 2.202 1.00 0.00 H new ATOM 0 HG SER B 33 -8.251 7.913 0.331 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.329 6.371 -1.124 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.699 5.357 -1.964 1.00 0.00 C ATOM 1801 C LEU B 34 -3.401 5.889 -2.573 1.00 0.00 C ATOM 1802 O LEU B 34 -2.416 5.158 -2.686 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.657 4.908 -3.074 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.938 4.216 -2.593 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.845 3.896 -3.769 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.608 2.946 -1.823 1.00 0.00 C ATOM 0 H LEU B 34 -6.263 6.649 -1.427 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.461 4.497 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.935 5.780 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.124 4.228 -3.739 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.462 4.899 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.749 3.405 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.114 4.819 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.324 3.234 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.531 2.471 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.060 2.261 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.996 3.195 -0.956 1.00 0.00 H new ATOM 1818 N MET B 35 -3.405 7.166 -2.948 1.00 0.00 N ATOM 1819 CA MET B 35 -2.218 7.807 -3.512 1.00 0.00 C ATOM 1820 C MET B 35 -1.068 7.789 -2.512 1.00 0.00 C ATOM 1821 O MET B 35 0.033 7.334 -2.826 1.00 0.00 O ATOM 1822 CB MET B 35 -2.530 9.250 -3.917 1.00 0.00 C ATOM 1823 CG MET B 35 -1.371 9.964 -4.596 1.00 0.00 C ATOM 1824 SD MET B 35 -1.785 11.653 -5.081 1.00 0.00 S ATOM 1825 CE MET B 35 -3.164 11.365 -6.187 1.00 0.00 C ATOM 0 H MET B 35 -4.217 7.778 -2.872 1.00 0.00 H new ATOM 0 HA MET B 35 -1.920 7.246 -4.398 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.388 9.251 -4.589 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.820 9.812 -3.029 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.515 9.983 -3.921 1.00 0.00 H new ATOM 0 HG3 MET B 35 -1.069 9.400 -5.478 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.302 12.234 -6.831 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.961 10.487 -6.801 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.070 11.198 -5.604 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.337 8.272 -1.306 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.325 8.335 -0.264 1.00 0.00 C ATOM 1837 C ALA B 36 0.165 6.942 0.111 1.00 0.00 C ATOM 1838 O ALA B 36 1.370 6.688 0.132 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.872 9.050 0.963 1.00 0.00 C ATOM 0 H ALA B 36 -2.252 8.627 -1.026 1.00 0.00 H new ATOM 0 HA ALA B 36 0.523 8.899 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.103 9.089 1.734 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.166 10.064 0.692 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.739 8.510 1.343 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.774 6.042 0.395 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.439 4.672 0.788 1.00 0.00 C ATOM 1847 C LEU B 37 0.369 3.970 -0.299 1.00 0.00 C ATOM 1848 O LEU B 37 1.377 3.322 -0.011 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.707 3.862 1.099 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.238 3.973 2.537 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.234 3.391 3.518 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.547 5.417 2.897 1.00 0.00 C ATOM 0 H LEU B 37 -1.775 6.236 0.361 1.00 0.00 H new ATOM 0 HA LEU B 37 0.169 4.732 1.691 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.495 4.180 0.416 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.505 2.812 0.887 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.164 3.402 2.598 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.624 3.477 4.532 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.063 2.341 3.283 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.294 3.937 3.444 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.921 5.465 3.920 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.639 6.015 2.814 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.303 5.808 2.216 1.00 0.00 H new ATOM 1864 N GLY B 38 -0.074 4.115 -1.545 1.00 0.00 N ATOM 1865 CA GLY B 38 0.630 3.519 -2.665 1.00 0.00 C ATOM 1866 C GLY B 38 2.060 3.991 -2.754 1.00 0.00 C ATOM 1867 O GLY B 38 2.978 3.194 -2.933 1.00 0.00 O ATOM 0 H GLY B 38 -0.912 4.638 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.613 2.434 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.110 3.764 -3.591 1.00 0.00 H new ATOM 1871 N ASN B 39 2.256 5.291 -2.599 1.00 0.00 N ATOM 1872 CA ASN B 39 3.592 5.860 -2.655 1.00 0.00 C ATOM 1873 C ASN B 39 4.438 5.363 -1.492 1.00 0.00 C ATOM 1874 O ASN B 39 5.615 5.082 -1.664 1.00 0.00 O ATOM 1875 CB ASN B 39 3.540 7.389 -2.644 1.00 0.00 C ATOM 1876 CG ASN B 39 3.192 7.990 -3.997 1.00 0.00 C ATOM 1877 OD1 ASN B 39 3.614 9.100 -4.316 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.422 7.272 -4.800 1.00 0.00 N ATOM 0 H ASN B 39 1.511 5.968 -2.434 1.00 0.00 H new ATOM 0 HA ASN B 39 4.050 5.536 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.804 7.715 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.506 7.776 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.161 7.636 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN B 39 2.090 6.355 -4.502 1.00 0.00 H new ATOM 1885 N CYS B 40 3.830 5.239 -0.315 1.00 0.00 N ATOM 1886 CA CYS B 40 4.546 4.779 0.871 1.00 0.00 C ATOM 1887 C CYS B 40 5.083 3.364 0.685 1.00 0.00 C ATOM 1888 O CYS B 40 6.254 3.098 0.964 1.00 0.00 O ATOM 1889 CB CYS B 40 3.638 4.826 2.096 1.00 0.00 C ATOM 1890 SG CYS B 40 3.046 6.483 2.496 1.00 0.00 S ATOM 0 H CYS B 40 2.845 5.450 -0.157 1.00 0.00 H new ATOM 0 HA CYS B 40 5.392 5.450 1.023 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.781 4.174 1.927 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.179 4.426 2.954 1.00 0.00 H new ATOM 0 HG CYS B 40 2.132 6.835 1.641 1.00 0.00 H new ATOM 1896 N VAL B 41 4.229 2.465 0.207 1.00 0.00 N ATOM 1897 CA VAL B 41 4.622 1.077 -0.024 1.00 0.00 C ATOM 1898 C VAL B 41 5.786 1.003 -1.011 1.00 0.00 C ATOM 1899 O VAL B 41 6.785 0.325 -0.766 1.00 0.00 O ATOM 1900 CB VAL B 41 3.443 0.231 -0.562 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.870 -1.213 -0.796 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.256 0.291 0.389 1.00 0.00 C ATOM 0 H VAL B 41 3.258 2.672 -0.029 1.00 0.00 H new ATOM 0 HA VAL B 41 4.932 0.668 0.938 1.00 0.00 H new ATOM 0 HB VAL B 41 3.137 0.653 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.023 -1.786 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.680 -1.239 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.212 -1.648 0.143 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.439 -0.311 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.551 -0.098 1.364 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.927 1.325 0.495 1.00 0.00 H new ATOM 1912 N THR B 42 5.663 1.737 -2.108 1.00 0.00 N ATOM 1913 CA THR B 42 6.668 1.718 -3.161 1.00 0.00 C ATOM 1914 C THR B 42 7.931 2.477 -2.717 1.00 0.00 C ATOM 1915 O THR B 42 9.033 2.220 -3.199 1.00 0.00 O ATOM 1916 CB THR B 42 6.088 2.330 -4.453 1.00 0.00 C ATOM 1917 OG1 THR B 42 4.695 2.005 -4.544 1.00 0.00 O ATOM 1918 CG2 THR B 42 6.780 1.782 -5.687 1.00 0.00 C ATOM 0 H THR B 42 4.873 2.356 -2.292 1.00 0.00 H new ATOM 0 HA THR B 42 6.949 0.684 -3.361 1.00 0.00 H new ATOM 0 HB THR B 42 6.241 3.408 -4.410 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.161 2.755 -4.208 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.346 2.235 -6.579 1.00 0.00 H new ATOM 0 HG22 THR B 42 7.844 2.016 -5.642 1.00 0.00 H new ATOM 0 HG23 THR B 42 6.648 0.701 -5.728 1.00 0.00 H new ATOM 1926 N HIS B 43 7.750 3.392 -1.771 1.00 0.00 N ATOM 1927 CA HIS B 43 8.854 4.146 -1.175 1.00 0.00 C ATOM 1928 C HIS B 43 9.669 3.261 -0.242 1.00 0.00 C ATOM 1929 O HIS B 43 10.890 3.393 -0.158 1.00 0.00 O ATOM 1930 CB HIS B 43 8.293 5.359 -0.414 1.00 0.00 C ATOM 1931 CG HIS B 43 9.285 6.112 0.425 1.00 0.00 C ATOM 1932 ND1 HIS B 43 9.866 7.291 0.022 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.755 5.874 1.675 1.00 0.00 C ATOM 1934 CE1 HIS B 43 10.644 7.748 0.984 1.00 0.00 C ATOM 1935 NE2 HIS B 43 10.598 6.905 1.995 1.00 0.00 N ATOM 0 H HIS B 43 6.834 3.634 -1.393 1.00 0.00 H new ATOM 0 HA HIS B 43 9.515 4.495 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.857 6.049 -1.136 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.483 5.018 0.231 1.00 0.00 H new ATOM 0 HD1 HIS B 43 9.718 7.742 -0.881 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.510 5.029 2.301 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.222 8.660 0.949 1.00 0.00 H new ATOM 1944 N LEU B 44 8.996 2.369 0.469 1.00 0.00 N ATOM 1945 CA LEU B 44 9.678 1.452 1.367 1.00 0.00 C ATOM 1946 C LEU B 44 10.462 0.416 0.580 1.00 0.00 C ATOM 1947 O LEU B 44 11.435 -0.153 1.082 1.00 0.00 O ATOM 1948 CB LEU B 44 8.684 0.798 2.325 1.00 0.00 C ATOM 1949 CG LEU B 44 8.211 1.716 3.455 1.00 0.00 C ATOM 1950 CD1 LEU B 44 7.040 1.110 4.205 1.00 0.00 C ATOM 1951 CD2 LEU B 44 9.357 1.998 4.413 1.00 0.00 C ATOM 0 H LEU B 44 7.982 2.261 0.441 1.00 0.00 H new ATOM 0 HA LEU B 44 10.391 2.018 1.967 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.817 0.461 1.758 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.145 -0.089 2.760 1.00 0.00 H new ATOM 0 HG LEU B 44 7.876 2.653 3.010 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.728 1.787 5.001 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.210 0.952 3.517 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.340 0.155 4.637 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.010 2.652 5.213 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.714 1.061 4.840 1.00 0.00 H new ATOM 0 HD23 LEU B 44 10.170 2.484 3.874 1.00 0.00 H new ATOM 1963 N LEU B 45 10.053 0.201 -0.665 1.00 0.00 N ATOM 1964 CA LEU B 45 10.815 -0.630 -1.585 1.00 0.00 C ATOM 1965 C LEU B 45 12.190 -0.019 -1.822 1.00 0.00 C ATOM 1966 O LEU B 45 13.185 -0.726 -1.899 1.00 0.00 O ATOM 1967 CB LEU B 45 10.080 -0.783 -2.919 1.00 0.00 C ATOM 1968 CG LEU B 45 8.808 -1.627 -2.874 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.071 -1.544 -4.200 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.144 -3.072 -2.550 1.00 0.00 C ATOM 0 H LEU B 45 9.197 0.592 -1.059 1.00 0.00 H new ATOM 0 HA LEU B 45 10.929 -1.618 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.824 0.210 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.764 -1.226 -3.643 1.00 0.00 H new ATOM 0 HG LEU B 45 8.160 -1.235 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.167 -2.151 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.802 -0.507 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.715 -1.914 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.227 -3.661 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.808 -3.472 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.638 -3.122 -1.580 1.00 0.00 H new ATOM 1982 N GLU B 46 12.237 1.305 -1.915 1.00 0.00 N ATOM 1983 CA GLU B 46 13.496 2.019 -2.110 1.00 0.00 C ATOM 1984 C GLU B 46 14.400 1.850 -0.894 1.00 0.00 C ATOM 1985 O GLU B 46 15.626 1.847 -1.006 1.00 0.00 O ATOM 1986 CB GLU B 46 13.246 3.515 -2.304 1.00 0.00 C ATOM 1987 CG GLU B 46 12.153 3.859 -3.300 1.00 0.00 C ATOM 1988 CD GLU B 46 11.829 5.337 -3.272 1.00 0.00 C ATOM 1989 OE1 GLU B 46 11.309 5.814 -2.239 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.130 6.036 -4.256 1.00 0.00 O ATOM 0 H GLU B 46 11.416 1.908 -1.858 1.00 0.00 H new ATOM 0 HA GLU B 46 13.973 1.602 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.989 3.953 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.174 3.984 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.469 3.573 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.256 3.283 -3.072 1.00 0.00 H new ATOM 1997 N ARG B 47 13.778 1.692 0.269 1.00 0.00 N ATOM 1998 CA ARG B 47 14.494 1.772 1.532 1.00 0.00 C ATOM 1999 C ARG B 47 15.063 0.423 1.922 1.00 0.00 C ATOM 2000 O ARG B 47 16.260 0.299 2.174 1.00 0.00 O ATOM 2001 CB ARG B 47 13.569 2.288 2.638 1.00 0.00 C ATOM 2002 CG ARG B 47 12.817 3.551 2.255 1.00 0.00 C ATOM 2003 CD ARG B 47 13.766 4.657 1.821 1.00 0.00 C ATOM 2004 NE ARG B 47 13.282 5.345 0.623 1.00 0.00 N ATOM 2005 CZ ARG B 47 13.835 6.451 0.128 1.00 0.00 C ATOM 2006 NH1 ARG B 47 14.865 7.018 0.745 1.00 0.00 N ATOM 2007 NH2 ARG B 47 13.348 6.995 -0.978 1.00 0.00 N ATOM 0 H ARG B 47 12.779 1.508 0.361 1.00 0.00 H new ATOM 0 HA ARG B 47 15.321 2.470 1.405 1.00 0.00 H new ATOM 0 HB2 ARG B 47 12.850 1.509 2.893 1.00 0.00 H new ATOM 0 HB3 ARG B 47 14.159 2.483 3.534 1.00 0.00 H new ATOM 0 HG2 ARG B 47 12.121 3.330 1.446 1.00 0.00 H new ATOM 0 HG3 ARG B 47 12.223 3.892 3.102 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.882 5.376 2.632 1.00 0.00 H new ATOM 0 HD3 ARG B 47 14.752 4.235 1.625 1.00 0.00 H new ATOM 0 HE ARG B 47 12.474 4.954 0.139 1.00 0.00 H new ATOM 0 HH11 ARG B 47 15.236 6.607 1.602 1.00 0.00 H new ATOM 0 HH12 ARG B 47 15.285 7.865 0.362 1.00 0.00 H new ATOM 0 HH21 ARG B 47 12.551 6.567 -1.449 1.00 0.00 H new ATOM 0 HH22 ARG B 47 13.770 7.842 -1.358 1.00 0.00 H new ATOM 2021 N LYS B 48 14.213 -0.590 1.954 1.00 0.00 N ATOM 2022 CA LYS B 48 14.636 -1.886 2.454 1.00 0.00 C ATOM 2023 C LYS B 48 14.957 -2.869 1.334 1.00 0.00 C ATOM 2024 O LYS B 48 15.478 -3.953 1.592 1.00 0.00 O ATOM 2025 CB LYS B 48 13.574 -2.501 3.370 1.00 0.00 C ATOM 2026 CG LYS B 48 13.466 -1.872 4.755 1.00 0.00 C ATOM 2027 CD LYS B 48 12.711 -0.553 4.736 1.00 0.00 C ATOM 2028 CE LYS B 48 12.362 -0.096 6.144 1.00 0.00 C ATOM 2029 NZ LYS B 48 13.567 0.192 6.969 1.00 0.00 N ATOM 0 H LYS B 48 13.242 -0.542 1.645 1.00 0.00 H new ATOM 0 HA LYS B 48 15.549 -1.704 3.021 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.605 -2.425 2.878 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.789 -3.563 3.487 1.00 0.00 H new ATOM 0 HG2 LYS B 48 12.962 -2.566 5.428 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.466 -1.709 5.156 1.00 0.00 H new ATOM 0 HD2 LYS B 48 13.317 0.208 4.244 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.798 -0.662 4.150 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.742 0.799 6.088 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.766 -0.866 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 13.273 0.499 7.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 14.147 -0.667 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 14.124 0.946 6.518 1.00 0.00 H new ATOM 2043 N VAL B 49 14.658 -2.505 0.100 1.00 0.00 N ATOM 2044 CA VAL B 49 14.800 -3.439 -1.011 1.00 0.00 C ATOM 2045 C VAL B 49 15.752 -2.900 -2.083 1.00 0.00 C ATOM 2046 O VAL B 49 15.659 -1.735 -2.480 1.00 0.00 O ATOM 2047 CB VAL B 49 13.425 -3.752 -1.653 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.547 -4.838 -2.710 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.408 -4.153 -0.593 1.00 0.00 C ATOM 0 H VAL B 49 14.318 -1.579 -0.161 1.00 0.00 H new ATOM 0 HA VAL B 49 15.222 -4.357 -0.602 1.00 0.00 H new ATOM 0 HB VAL B 49 13.073 -2.842 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.566 -5.036 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.230 -4.508 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.933 -5.749 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.451 -4.367 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL B 49 12.760 -5.042 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.284 -3.337 0.119 1.00 0.00 H new ATOM 2059 N PRO B 50 16.697 -3.738 -2.550 1.00 0.00 N ATOM 2060 CA PRO B 50 17.579 -3.394 -3.670 1.00 0.00 C ATOM 2061 C PRO B 50 16.778 -3.177 -4.951 1.00 0.00 C ATOM 2062 O PRO B 50 15.743 -3.818 -5.155 1.00 0.00 O ATOM 2063 CB PRO B 50 18.499 -4.616 -3.809 1.00 0.00 C ATOM 2064 CG PRO B 50 18.372 -5.351 -2.519 1.00 0.00 C ATOM 2065 CD PRO B 50 16.984 -5.080 -2.019 1.00 0.00 C ATOM 0 HA PRO B 50 18.128 -2.469 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.198 -5.241 -4.650 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.530 -4.314 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.533 -6.420 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.118 -5.010 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.272 -5.820 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.936 -5.102 -0.930 1.00 0.00 H new ATOM 2073 N SER B 51 17.255 -2.278 -5.803 1.00 0.00 N ATOM 2074 CA SER B 51 16.531 -1.880 -7.009 1.00 0.00 C ATOM 2075 C SER B 51 16.093 -3.080 -7.855 1.00 0.00 C ATOM 2076 O SER B 51 14.955 -3.128 -8.328 1.00 0.00 O ATOM 2077 CB SER B 51 17.400 -0.940 -7.842 1.00 0.00 C ATOM 2078 OG SER B 51 17.786 0.190 -7.079 1.00 0.00 O ATOM 0 H SER B 51 18.150 -1.805 -5.681 1.00 0.00 H new ATOM 0 HA SER B 51 15.623 -1.367 -6.691 1.00 0.00 H new ATOM 0 HB2 SER B 51 18.286 -1.470 -8.191 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.852 -0.618 -8.727 1.00 0.00 H new ATOM 0 HG SER B 51 18.343 0.780 -7.628 1.00 0.00 H new ATOM 2084 N GLU B 52 16.983 -4.057 -8.011 1.00 0.00 N ATOM 2085 CA GLU B 52 16.715 -5.230 -8.843 1.00 0.00 C ATOM 2086 C GLU B 52 15.547 -6.051 -8.298 1.00 0.00 C ATOM 2087 O GLU B 52 14.880 -6.772 -9.039 1.00 0.00 O ATOM 2088 CB GLU B 52 17.956 -6.127 -8.943 1.00 0.00 C ATOM 2089 CG GLU B 52 19.242 -5.379 -9.261 1.00 0.00 C ATOM 2090 CD GLU B 52 19.933 -4.848 -8.020 1.00 0.00 C ATOM 2091 OE1 GLU B 52 19.616 -3.717 -7.591 1.00 0.00 O ATOM 2092 OE2 GLU B 52 20.793 -5.562 -7.470 1.00 0.00 O ATOM 0 H GLU B 52 17.902 -4.060 -7.569 1.00 0.00 H new ATOM 0 HA GLU B 52 16.453 -4.861 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU B 52 18.082 -6.660 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.786 -6.879 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU B 52 19.922 -6.044 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU B 52 19.018 -4.549 -9.931 1.00 0.00 H new ATOM 2099 N SER B 53 15.302 -5.943 -7.003 1.00 0.00 N ATOM 2100 CA SER B 53 14.270 -6.741 -6.361 1.00 0.00 C ATOM 2101 C SER B 53 13.001 -5.926 -6.111 1.00 0.00 C ATOM 2102 O SER B 53 11.954 -6.489 -5.807 1.00 0.00 O ATOM 2103 CB SER B 53 14.799 -7.299 -5.041 1.00 0.00 C ATOM 2104 OG SER B 53 16.029 -7.975 -5.235 1.00 0.00 O ATOM 0 H SER B 53 15.802 -5.312 -6.376 1.00 0.00 H new ATOM 0 HA SER B 53 14.012 -7.561 -7.031 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.934 -6.487 -4.326 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.067 -7.983 -4.611 1.00 0.00 H new ATOM 0 HG SER B 53 16.350 -8.323 -4.377 1.00 0.00 H new ATOM 2110 N ARG B 54 13.092 -4.607 -6.255 1.00 0.00 N ATOM 2111 CA ARG B 54 11.973 -3.721 -5.936 1.00 0.00 C ATOM 2112 C ARG B 54 10.733 -4.057 -6.751 1.00 0.00 C ATOM 2113 O ARG B 54 9.643 -4.179 -6.197 1.00 0.00 O ATOM 2114 CB ARG B 54 12.357 -2.258 -6.146 1.00 0.00 C ATOM 2115 CG ARG B 54 13.405 -1.771 -5.166 1.00 0.00 C ATOM 2116 CD ARG B 54 13.760 -0.315 -5.393 1.00 0.00 C ATOM 2117 NE ARG B 54 14.889 0.099 -4.562 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.605 1.203 -4.771 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.263 2.043 -5.736 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.653 1.475 -4.006 1.00 0.00 N ATOM 0 H ARG B 54 13.927 -4.127 -6.590 1.00 0.00 H new ATOM 0 HA ARG B 54 11.735 -3.876 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.731 -2.129 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.465 -1.638 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG B 54 13.038 -1.900 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.302 -2.382 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.004 -0.159 -6.444 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.895 0.310 -5.171 1.00 0.00 H new ATOM 0 HE ARG B 54 15.145 -0.494 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.451 1.845 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.812 2.888 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.914 0.838 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.198 2.321 -4.170 1.00 0.00 H new ATOM 2134 N GLN B 55 10.894 -4.220 -8.059 1.00 0.00 N ATOM 2135 CA GLN B 55 9.757 -4.538 -8.914 1.00 0.00 C ATOM 2136 C GLN B 55 9.239 -5.941 -8.607 1.00 0.00 C ATOM 2137 O GLN B 55 8.035 -6.183 -8.618 1.00 0.00 O ATOM 2138 CB GLN B 55 10.128 -4.418 -10.397 1.00 0.00 C ATOM 2139 CG GLN B 55 8.933 -4.574 -11.327 1.00 0.00 C ATOM 2140 CD GLN B 55 9.295 -4.395 -12.785 1.00 0.00 C ATOM 2141 OE1 GLN B 55 9.646 -5.353 -13.474 1.00 0.00 O ATOM 2142 NE2 GLN B 55 9.202 -3.167 -13.268 1.00 0.00 N ATOM 0 H GLN B 55 11.787 -4.139 -8.545 1.00 0.00 H new ATOM 0 HA GLN B 55 8.966 -3.817 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.592 -3.447 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.872 -5.176 -10.641 1.00 0.00 H new ATOM 0 HG2 GLN B 55 8.495 -5.562 -11.185 1.00 0.00 H new ATOM 0 HG3 GLN B 55 8.170 -3.845 -11.055 1.00 0.00 H new ATOM 0 HE21 GLN B 55 8.907 -2.402 -12.662 1.00 0.00 H new ATOM 0 HE22 GLN B 55 9.425 -2.986 -14.247 1.00 0.00 H new ATOM 2151 N ALA B 56 10.155 -6.853 -8.296 1.00 0.00 N ATOM 2152 CA ALA B 56 9.788 -8.225 -7.973 1.00 0.00 C ATOM 2153 C ALA B 56 8.956 -8.278 -6.694 1.00 0.00 C ATOM 2154 O ALA B 56 7.905 -8.918 -6.653 1.00 0.00 O ATOM 2155 CB ALA B 56 11.032 -9.089 -7.835 1.00 0.00 C ATOM 0 H ALA B 56 11.157 -6.665 -8.261 1.00 0.00 H new ATOM 0 HA ALA B 56 9.181 -8.617 -8.790 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.740 -10.111 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.586 -9.082 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.663 -8.694 -7.039 1.00 0.00 H new ATOM 2161 N VAL B 57 9.429 -7.593 -5.655 1.00 0.00 N ATOM 2162 CA VAL B 57 8.702 -7.523 -4.392 1.00 0.00 C ATOM 2163 C VAL B 57 7.384 -6.781 -4.583 1.00 0.00 C ATOM 2164 O VAL B 57 6.358 -7.167 -4.027 1.00 0.00 O ATOM 2165 CB VAL B 57 9.531 -6.828 -3.284 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.734 -6.724 -1.993 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.831 -7.578 -3.038 1.00 0.00 C ATOM 0 H VAL B 57 10.311 -7.080 -5.664 1.00 0.00 H new ATOM 0 HA VAL B 57 8.507 -8.547 -4.074 1.00 0.00 H new ATOM 0 HB VAL B 57 9.767 -5.820 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.338 -6.232 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.829 -6.142 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.462 -7.723 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.399 -7.074 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.609 -8.598 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.418 -7.600 -3.956 1.00 0.00 H new ATOM 2177 N ALA B 58 7.420 -5.730 -5.394 1.00 0.00 N ATOM 2178 CA ALA B 58 6.226 -4.960 -5.699 1.00 0.00 C ATOM 2179 C ALA B 58 5.151 -5.846 -6.309 1.00 0.00 C ATOM 2180 O ALA B 58 4.029 -5.883 -5.821 1.00 0.00 O ATOM 2181 CB ALA B 58 6.550 -3.808 -6.639 1.00 0.00 C ATOM 0 H ALA B 58 8.267 -5.393 -5.852 1.00 0.00 H new ATOM 0 HA ALA B 58 5.847 -4.549 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.641 -3.246 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.281 -3.150 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA B 58 6.960 -4.202 -7.569 1.00 0.00 H new ATOM 2187 N GLU B 59 5.512 -6.582 -7.356 1.00 0.00 N ATOM 2188 CA GLU B 59 4.550 -7.401 -8.082 1.00 0.00 C ATOM 2189 C GLU B 59 3.964 -8.513 -7.213 1.00 0.00 C ATOM 2190 O GLU B 59 2.763 -8.764 -7.265 1.00 0.00 O ATOM 2191 CB GLU B 59 5.181 -8.001 -9.336 1.00 0.00 C ATOM 2192 CG GLU B 59 5.546 -6.965 -10.385 1.00 0.00 C ATOM 2193 CD GLU B 59 5.976 -7.596 -11.688 1.00 0.00 C ATOM 2194 OE1 GLU B 59 7.182 -7.881 -11.850 1.00 0.00 O ATOM 2195 OE2 GLU B 59 5.107 -7.824 -12.556 1.00 0.00 O ATOM 0 H GLU B 59 6.464 -6.627 -7.720 1.00 0.00 H new ATOM 0 HA GLU B 59 3.733 -6.740 -8.373 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.078 -8.552 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU B 59 4.489 -8.721 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU B 59 4.690 -6.315 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU B 59 6.351 -6.335 -10.006 1.00 0.00 H new ATOM 2202 N GLN B 60 4.798 -9.179 -6.419 1.00 0.00 N ATOM 2203 CA GLN B 60 4.310 -10.273 -5.579 1.00 0.00 C ATOM 2204 C GLN B 60 3.388 -9.748 -4.482 1.00 0.00 C ATOM 2205 O GLN B 60 2.354 -10.350 -4.188 1.00 0.00 O ATOM 2206 CB GLN B 60 5.464 -11.081 -4.974 1.00 0.00 C ATOM 2207 CG GLN B 60 6.417 -10.276 -4.108 1.00 0.00 C ATOM 2208 CD GLN B 60 7.511 -11.130 -3.499 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.920 -12.141 -4.071 1.00 0.00 O ATOM 2210 NE2 GLN B 60 7.994 -10.729 -2.333 1.00 0.00 N ATOM 0 H GLN B 60 5.797 -8.987 -6.338 1.00 0.00 H new ATOM 0 HA GLN B 60 3.737 -10.944 -6.220 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.048 -11.891 -4.376 1.00 0.00 H new ATOM 0 HB3 GLN B 60 6.031 -11.541 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.869 -9.486 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN B 60 5.855 -9.789 -3.311 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.628 -9.885 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.732 -11.264 -1.876 1.00 0.00 H new ATOM 2219 N PHE B 61 3.755 -8.618 -3.895 1.00 0.00 N ATOM 2220 CA PHE B 61 2.922 -7.969 -2.892 1.00 0.00 C ATOM 2221 C PHE B 61 1.639 -7.459 -3.537 1.00 0.00 C ATOM 2222 O PHE B 61 0.554 -7.557 -2.967 1.00 0.00 O ATOM 2223 CB PHE B 61 3.691 -6.812 -2.240 1.00 0.00 C ATOM 2224 CG PHE B 61 2.854 -5.944 -1.346 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.562 -6.335 -0.052 1.00 0.00 C ATOM 2226 CD2 PHE B 61 2.351 -4.735 -1.808 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.791 -5.536 0.768 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.579 -3.933 -0.993 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.296 -4.335 0.295 1.00 0.00 C ATOM 0 H PHE B 61 4.628 -8.130 -4.097 1.00 0.00 H new ATOM 0 HA PHE B 61 2.662 -8.692 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.518 -7.221 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE B 61 4.127 -6.193 -3.024 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.941 -7.275 0.321 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.567 -4.419 -2.818 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.575 -5.849 1.779 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.197 -2.993 -1.363 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.688 -3.712 0.934 1.00 0.00 H new ATOM 2239 N ALA B 62 1.784 -6.940 -4.745 1.00 0.00 N ATOM 2240 CA ALA B 62 0.666 -6.390 -5.494 1.00 0.00 C ATOM 2241 C ALA B 62 -0.318 -7.485 -5.871 1.00 0.00 C ATOM 2242 O ALA B 62 -1.535 -7.304 -5.781 1.00 0.00 O ATOM 2243 CB ALA B 62 1.175 -5.678 -6.734 1.00 0.00 C ATOM 0 H ALA B 62 2.678 -6.888 -5.233 1.00 0.00 H new ATOM 0 HA ALA B 62 0.143 -5.669 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.332 -5.268 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.843 -4.869 -6.440 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.716 -6.385 -7.363 1.00 0.00 H new ATOM 2249 N LYS B 63 0.217 -8.622 -6.299 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.602 -9.775 -6.622 1.00 0.00 C ATOM 2251 C LYS B 63 -1.368 -10.235 -5.393 1.00 0.00 C ATOM 2252 O LYS B 63 -2.571 -10.460 -5.460 1.00 0.00 O ATOM 2253 CB LYS B 63 0.252 -10.923 -7.163 1.00 0.00 C ATOM 2254 CG LYS B 63 -0.550 -12.179 -7.471 1.00 0.00 C ATOM 2255 CD LYS B 63 0.345 -13.319 -7.933 1.00 0.00 C ATOM 2256 CE LYS B 63 0.986 -13.028 -9.279 1.00 0.00 C ATOM 2257 NZ LYS B 63 -0.025 -12.875 -10.356 1.00 0.00 N ATOM 0 H LYS B 63 1.218 -8.767 -6.430 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.309 -9.480 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.759 -10.593 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS B 63 1.026 -11.165 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -1.101 -12.486 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.288 -11.960 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.124 -13.493 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -0.241 -14.236 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.580 -12.117 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS B 63 1.671 -13.836 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 0.444 -12.932 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -0.732 -13.633 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -0.495 -11.952 -10.262 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.665 -10.353 -4.271 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.277 -10.789 -3.019 1.00 0.00 C ATOM 2273 C ALA B 64 -2.392 -9.839 -2.596 1.00 0.00 C ATOM 2274 O ALA B 64 -3.447 -10.274 -2.140 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.223 -10.886 -1.928 1.00 0.00 C ATOM 0 H ALA B 64 0.333 -10.152 -4.203 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.715 -11.775 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.690 -11.212 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.540 -11.606 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.238 -9.909 -1.779 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.146 -8.544 -2.763 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.132 -7.516 -2.444 1.00 0.00 C ATOM 2283 C LEU B 65 -4.402 -7.716 -3.275 1.00 0.00 C ATOM 2284 O LEU B 65 -5.494 -7.947 -2.742 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.545 -6.131 -2.738 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.381 -4.940 -2.270 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -3.133 -4.666 -0.796 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -3.072 -3.706 -3.106 1.00 0.00 C ATOM 0 H LEU B 65 -1.264 -8.178 -3.121 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.386 -7.592 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.563 -6.067 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.392 -6.043 -3.814 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.435 -5.184 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.735 -3.815 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.408 -5.544 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.078 -4.442 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.677 -2.869 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.016 -3.455 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.302 -3.908 -4.152 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.242 -7.655 -4.592 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.370 -7.747 -5.507 1.00 0.00 C ATOM 2302 C ALA B 66 -6.030 -9.121 -5.449 1.00 0.00 C ATOM 2303 O ALA B 66 -7.238 -9.240 -5.645 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.929 -7.429 -6.927 1.00 0.00 C ATOM 0 H ALA B 66 -3.338 -7.542 -5.050 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.111 -7.011 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.784 -7.502 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.524 -6.418 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.162 -8.139 -7.237 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.243 -10.154 -5.169 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.771 -11.512 -5.101 1.00 0.00 C ATOM 2312 C GLN B 67 -6.457 -11.754 -3.759 1.00 0.00 C ATOM 2313 O GLN B 67 -7.309 -12.633 -3.640 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.664 -12.544 -5.334 1.00 0.00 C ATOM 2315 CG GLN B 67 -5.180 -13.965 -5.491 1.00 0.00 C ATOM 2316 CD GLN B 67 -4.097 -14.948 -5.897 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -3.138 -14.591 -6.583 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -4.249 -16.193 -5.480 1.00 0.00 N ATOM 0 H GLN B 67 -4.242 -10.078 -4.986 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.511 -11.627 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -4.105 -12.269 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.966 -12.510 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.624 -14.290 -4.550 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.973 -13.977 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.059 -16.446 -4.913 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -3.557 -16.901 -5.725 1.00 0.00 H new ATOM 2327 N SER B 68 -6.093 -10.967 -2.750 1.00 0.00 N ATOM 2328 CA SER B 68 -6.795 -11.006 -1.480 1.00 0.00 C ATOM 2329 C SER B 68 -8.222 -10.530 -1.707 1.00 0.00 C ATOM 2330 O SER B 68 -9.182 -11.100 -1.179 1.00 0.00 O ATOM 2331 CB SER B 68 -6.091 -10.125 -0.442 1.00 0.00 C ATOM 2332 OG SER B 68 -6.686 -10.263 0.838 1.00 0.00 O ATOM 0 H SER B 68 -5.322 -10.301 -2.790 1.00 0.00 H new ATOM 0 HA SER B 68 -6.800 -12.025 -1.093 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.037 -10.396 -0.387 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.136 -9.082 -0.756 1.00 0.00 H new ATOM 0 HG SER B 68 -6.216 -9.691 1.480 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.346 -9.494 -2.529 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.647 -9.014 -2.964 1.00 0.00 C ATOM 2340 C VAL B 69 -10.308 -10.037 -3.887 1.00 0.00 C ATOM 2341 O VAL B 69 -11.504 -10.305 -3.778 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.536 -7.664 -3.700 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.918 -7.135 -4.051 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.774 -6.654 -2.856 1.00 0.00 C ATOM 0 H VAL B 69 -7.557 -8.970 -2.907 1.00 0.00 H new ATOM 0 HA VAL B 69 -10.257 -8.873 -2.072 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.982 -7.821 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.822 -6.181 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.428 -7.850 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.496 -6.994 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.707 -5.708 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -9.298 -6.499 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.771 -7.030 -2.656 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.512 -10.627 -4.781 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.006 -11.654 -5.701 1.00 0.00 C ATOM 2356 C LYS B 70 -10.559 -12.855 -4.941 1.00 0.00 C ATOM 2357 O LYS B 70 -11.390 -13.591 -5.461 1.00 0.00 O ATOM 2358 CB LYS B 70 -8.907 -12.136 -6.657 1.00 0.00 C ATOM 2359 CG LYS B 70 -8.521 -11.142 -7.739 1.00 0.00 C ATOM 2360 CD LYS B 70 -7.624 -11.793 -8.781 1.00 0.00 C ATOM 2361 CE LYS B 70 -7.250 -10.827 -9.894 1.00 0.00 C ATOM 2362 NZ LYS B 70 -6.324 -9.765 -9.423 1.00 0.00 N ATOM 0 H LYS B 70 -8.521 -10.411 -4.888 1.00 0.00 H new ATOM 0 HA LYS B 70 -10.804 -11.192 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.019 -12.379 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.238 -13.059 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.419 -10.754 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.006 -10.292 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.717 -12.161 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.132 -12.658 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -6.784 -11.378 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -8.154 -10.368 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -6.281 -9.003 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -6.668 -9.380 -8.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -5.374 -10.167 -9.289 1.00 0.00 H new ATOM 2376 N SER B 71 -10.102 -13.046 -3.712 1.00 0.00 N ATOM 2377 CA SER B 71 -10.547 -14.168 -2.904 1.00 0.00 C ATOM 2378 C SER B 71 -12.011 -13.982 -2.490 1.00 0.00 C ATOM 2379 O SER B 71 -12.699 -14.945 -2.148 1.00 0.00 O ATOM 2380 CB SER B 71 -9.649 -14.324 -1.673 1.00 0.00 C ATOM 2381 OG SER B 71 -9.779 -15.616 -1.101 1.00 0.00 O ATOM 0 H SER B 71 -9.423 -12.438 -3.254 1.00 0.00 H new ATOM 0 HA SER B 71 -10.475 -15.078 -3.499 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.610 -14.151 -1.954 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.909 -13.568 -0.932 1.00 0.00 H new ATOM 0 HG SER B 71 -9.194 -15.688 -0.318 1.00 0.00 H new