USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=34 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 9 ASN : amide:sc= -0.309 K(o=-0.31,f=-5.6!) USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0277) USER MOD Single : A 26 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0572 (180deg=-0.357) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -167:sc= 0 (180deg=-0.164) USER MOD Single : A 39 ASN : amide:sc= 1.2 K(o=1.2,f=-0.047) USER MOD Single : A 40 CYS SG : rot -79:sc= -0.992! USER MOD Single : A 42 THR OG1 : rot 106:sc= -0.934! USER MOD Single : A 43 HIS : no HD1:sc=-0.00873 X(o=-0.0087,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0109 (180deg=-0.168) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00428 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0.0419 X(o=0.042,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.835) USER MOD Single : A 67 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.5!) USER MOD Single : A 68 SER OG : rot 84:sc= 1.32 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -0.0172 (180deg=-0.0505) USER MOD Single : B 8 SER OG : rot 19:sc= 0.36 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.14 USER MOD Single : B 11 GLN :FLIP amide:sc= -0.0543 F(o=-1.4!,f=-0.054) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 25 LYS NZ :NH3+ -171:sc= -0.0147 (180deg=-0.147) USER MOD Single : B 26 HIS :FLIP no HE2:sc= -1.64! F(o=-2.4,f=-1.6!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00244 USER MOD Single : B 33 SER OG : rot 70:sc= 1.17 USER MOD Single : B 35 MET CE :methyl 149:sc= -0.355 (180deg=-1.25) USER MOD Single : B 39 ASN : amide:sc= -0.0348 K(o=-0.035,f=-0.82) USER MOD Single : B 40 CYS SG : rot 180:sc= -0.549 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.048 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) 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 :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0.952) USER MOD Single : B 67 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.28) USER MOD Single : B 68 SER OG : rot 180:sc=-0.00178 USER MOD Single : B 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.038) USER MOD Single : B 71 SER OG : rot 89:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -2.732 19.706 -1.961 1.00 0.00 N ATOM 121 CA SER A 8 -1.416 20.303 -2.058 1.00 0.00 C ATOM 122 C SER A 8 -0.367 19.202 -2.137 1.00 0.00 C ATOM 123 O SER A 8 -0.426 18.231 -1.383 1.00 0.00 O ATOM 124 CB SER A 8 -1.152 21.209 -0.852 1.00 0.00 C ATOM 125 OG SER A 8 0.153 21.761 -0.894 1.00 0.00 O ATOM 0 HA SER A 8 -1.363 20.913 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.888 22.013 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.277 20.638 0.068 1.00 0.00 H new ATOM 0 HG SER A 8 0.290 22.336 -0.112 1.00 0.00 H new ATOM 131 N ASN A 9 0.584 19.344 -3.052 1.00 0.00 N ATOM 132 CA ASN A 9 1.653 18.361 -3.188 1.00 0.00 C ATOM 133 C ASN A 9 2.545 18.373 -1.948 1.00 0.00 C ATOM 134 O ASN A 9 3.202 17.378 -1.633 1.00 0.00 O ATOM 135 CB ASN A 9 2.474 18.597 -4.465 1.00 0.00 C ATOM 136 CG ASN A 9 2.892 20.043 -4.669 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.069 20.800 -3.717 1.00 0.00 O ATOM 138 ND2 ASN A 9 3.050 20.436 -5.923 1.00 0.00 N ATOM 0 H ASN A 9 0.638 20.124 -3.707 1.00 0.00 H new ATOM 0 HA ASN A 9 1.198 17.374 -3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.367 17.972 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.890 18.273 -5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.328 21.396 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.894 19.779 -6.687 1.00 0.00 H new ATOM 145 N THR A 10 2.549 19.499 -1.242 1.00 0.00 N ATOM 146 CA THR A 10 3.248 19.604 0.028 1.00 0.00 C ATOM 147 C THR A 10 2.441 18.909 1.122 1.00 0.00 C ATOM 148 O THR A 10 2.998 18.290 2.028 1.00 0.00 O ATOM 149 CB THR A 10 3.480 21.080 0.405 1.00 0.00 C ATOM 150 OG1 THR A 10 4.022 21.783 -0.721 1.00 0.00 O ATOM 151 CG2 THR A 10 4.437 21.201 1.582 1.00 0.00 C ATOM 0 H THR A 10 2.073 20.353 -1.532 1.00 0.00 H new ATOM 0 HA THR A 10 4.218 19.118 -0.071 1.00 0.00 H new ATOM 0 HB THR A 10 2.522 21.514 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.168 22.722 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.582 22.253 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.020 20.683 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.396 20.754 1.319 1.00 0.00 H new ATOM 159 N GLN A 11 1.119 19.007 1.014 1.00 0.00 N ATOM 160 CA GLN A 11 0.209 18.333 1.936 1.00 0.00 C ATOM 161 C GLN A 11 0.394 16.822 1.856 1.00 0.00 C ATOM 162 O GLN A 11 0.471 16.143 2.879 1.00 0.00 O ATOM 163 CB GLN A 11 -1.241 18.703 1.609 1.00 0.00 C ATOM 164 CG GLN A 11 -2.281 17.893 2.366 1.00 0.00 C ATOM 165 CD GLN A 11 -3.696 18.266 1.967 1.00 0.00 C ATOM 166 OE1 GLN A 11 -3.944 18.679 0.834 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.634 18.113 2.890 1.00 0.00 N ATOM 0 H GLN A 11 0.650 19.552 0.290 1.00 0.00 H new ATOM 0 HA GLN A 11 0.438 18.659 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.392 19.760 1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.404 18.572 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.120 16.831 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.153 18.050 3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.386 17.768 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.604 18.340 2.673 1.00 0.00 H new ATOM 176 N VAL A 12 0.467 16.304 0.633 1.00 0.00 N ATOM 177 CA VAL A 12 0.689 14.878 0.418 1.00 0.00 C ATOM 178 C VAL A 12 2.019 14.456 1.035 1.00 0.00 C ATOM 179 O VAL A 12 2.099 13.443 1.728 1.00 0.00 O ATOM 180 CB VAL A 12 0.691 14.520 -1.086 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.801 13.014 -1.288 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.555 15.056 -1.770 1.00 0.00 C ATOM 0 H VAL A 12 0.376 16.850 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.132 14.344 0.897 1.00 0.00 H new ATOM 0 HB VAL A 12 1.563 14.990 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.800 12.789 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.728 12.654 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.046 12.520 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.532 14.792 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.440 14.620 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.588 16.141 -1.667 1.00 0.00 H new ATOM 192 N GLU A 13 3.054 15.252 0.789 1.00 0.00 N ATOM 193 CA GLU A 13 4.373 14.993 1.353 1.00 0.00 C ATOM 194 C GLU A 13 4.317 14.982 2.879 1.00 0.00 C ATOM 195 O GLU A 13 4.833 14.065 3.522 1.00 0.00 O ATOM 196 CB GLU A 13 5.371 16.044 0.861 1.00 0.00 C ATOM 197 CG GLU A 13 6.759 15.895 1.460 1.00 0.00 C ATOM 198 CD GLU A 13 7.748 16.887 0.890 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.599 18.097 1.141 1.00 0.00 O ATOM 200 OE2 GLU A 13 8.681 16.458 0.179 1.00 0.00 O ATOM 0 H GLU A 13 3.004 16.084 0.201 1.00 0.00 H new ATOM 0 HA GLU A 13 4.705 14.010 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.445 15.982 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.987 17.036 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.700 16.026 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.121 14.883 1.281 1.00 0.00 H new ATOM 207 N SER A 14 3.673 15.996 3.448 1.00 0.00 N ATOM 208 CA SER A 14 3.531 16.106 4.893 1.00 0.00 C ATOM 209 C SER A 14 2.752 14.916 5.450 1.00 0.00 C ATOM 210 O SER A 14 3.067 14.405 6.525 1.00 0.00 O ATOM 211 CB SER A 14 2.827 17.418 5.250 1.00 0.00 C ATOM 212 OG SER A 14 2.710 17.581 6.653 1.00 0.00 O ATOM 0 H SER A 14 3.239 16.757 2.925 1.00 0.00 H new ATOM 0 HA SER A 14 4.524 16.103 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.383 18.256 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.836 17.435 4.797 1.00 0.00 H new ATOM 0 HG SER A 14 2.258 18.428 6.847 1.00 0.00 H new ATOM 218 N LEU A 15 1.738 14.480 4.708 1.00 0.00 N ATOM 219 CA LEU A 15 0.933 13.335 5.106 1.00 0.00 C ATOM 220 C LEU A 15 1.787 12.076 5.155 1.00 0.00 C ATOM 221 O LEU A 15 1.799 11.370 6.160 1.00 0.00 O ATOM 222 CB LEU A 15 -0.243 13.146 4.138 1.00 0.00 C ATOM 223 CG LEU A 15 -1.170 11.968 4.447 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.729 12.086 5.853 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.301 11.912 3.434 1.00 0.00 C ATOM 0 H LEU A 15 1.456 14.906 3.825 1.00 0.00 H new ATOM 0 HA LEU A 15 0.535 13.522 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.836 14.060 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.155 13.018 3.131 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.593 11.046 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.386 11.240 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.909 12.089 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.294 13.014 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.954 11.070 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.874 12.838 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.887 11.788 2.433 1.00 0.00 H new ATOM 237 N ILE A 16 2.513 11.816 4.072 1.00 0.00 N ATOM 238 CA ILE A 16 3.376 10.642 3.987 1.00 0.00 C ATOM 239 C ILE A 16 4.425 10.658 5.097 1.00 0.00 C ATOM 240 O ILE A 16 4.713 9.628 5.707 1.00 0.00 O ATOM 241 CB ILE A 16 4.083 10.556 2.613 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.046 10.501 1.487 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.001 9.341 2.554 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.649 10.525 0.098 1.00 0.00 C ATOM 0 H ILE A 16 2.521 12.404 3.239 1.00 0.00 H new ATOM 0 HA ILE A 16 2.739 9.766 4.106 1.00 0.00 H new ATOM 0 HB ILE A 16 4.694 11.449 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.450 9.595 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.365 11.345 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.488 9.300 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.758 9.418 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.415 8.435 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.853 10.483 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.221 11.443 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.308 9.666 -0.028 1.00 0.00 H new ATOM 256 N ALA A 17 4.976 11.839 5.363 1.00 0.00 N ATOM 257 CA ALA A 17 5.968 12.007 6.418 1.00 0.00 C ATOM 258 C ALA A 17 5.418 11.536 7.760 1.00 0.00 C ATOM 259 O ALA A 17 6.082 10.795 8.484 1.00 0.00 O ATOM 260 CB ALA A 17 6.412 13.460 6.498 1.00 0.00 C ATOM 0 H ALA A 17 4.750 12.697 4.859 1.00 0.00 H new ATOM 0 HA ALA A 17 6.835 11.393 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.153 13.571 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.851 13.759 5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.551 14.092 6.715 1.00 0.00 H new ATOM 266 N GLU A 18 4.195 11.947 8.069 1.00 0.00 N ATOM 267 CA GLU A 18 3.541 11.558 9.314 1.00 0.00 C ATOM 268 C GLU A 18 3.367 10.046 9.387 1.00 0.00 C ATOM 269 O GLU A 18 3.582 9.433 10.435 1.00 0.00 O ATOM 270 CB GLU A 18 2.178 12.237 9.422 1.00 0.00 C ATOM 271 CG GLU A 18 2.257 13.733 9.664 1.00 0.00 C ATOM 272 CD GLU A 18 2.694 14.075 11.073 1.00 0.00 C ATOM 273 OE1 GLU A 18 3.908 14.093 11.344 1.00 0.00 O ATOM 274 OE2 GLU A 18 1.810 14.337 11.917 1.00 0.00 O ATOM 0 H GLU A 18 3.632 12.553 7.472 1.00 0.00 H new ATOM 0 HA GLU A 18 4.172 11.875 10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.618 12.056 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.616 11.776 10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.956 14.175 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.282 14.180 9.472 1.00 0.00 H new ATOM 281 N ILE A 19 2.983 9.458 8.261 1.00 0.00 N ATOM 282 CA ILE A 19 2.777 8.019 8.168 1.00 0.00 C ATOM 283 C ILE A 19 4.082 7.276 8.449 1.00 0.00 C ATOM 284 O ILE A 19 4.109 6.297 9.203 1.00 0.00 O ATOM 285 CB ILE A 19 2.248 7.624 6.772 1.00 0.00 C ATOM 286 CG1 ILE A 19 1.032 8.475 6.406 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.875 6.153 6.749 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.553 8.282 4.985 1.00 0.00 C ATOM 0 H ILE A 19 2.807 9.962 7.392 1.00 0.00 H new ATOM 0 HA ILE A 19 2.034 7.739 8.915 1.00 0.00 H new ATOM 0 HB ILE A 19 3.036 7.801 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.216 8.238 7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.278 9.526 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.503 5.887 5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.754 5.551 6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.099 5.963 7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.312 8.920 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.352 8.548 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.273 7.239 4.834 1.00 0.00 H new ATOM 300 N LEU A 20 5.163 7.768 7.851 1.00 0.00 N ATOM 301 CA LEU A 20 6.489 7.189 8.041 1.00 0.00 C ATOM 302 C LEU A 20 6.911 7.269 9.505 1.00 0.00 C ATOM 303 O LEU A 20 7.482 6.321 10.044 1.00 0.00 O ATOM 304 CB LEU A 20 7.523 7.906 7.162 1.00 0.00 C ATOM 305 CG LEU A 20 7.313 7.774 5.649 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.352 8.595 4.898 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.385 6.314 5.228 1.00 0.00 C ATOM 0 H LEU A 20 5.145 8.573 7.225 1.00 0.00 H new ATOM 0 HA LEU A 20 6.441 6.140 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.520 8.965 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.512 7.520 7.408 1.00 0.00 H new ATOM 0 HG LEU A 20 6.323 8.156 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.191 8.492 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.260 9.644 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.350 8.238 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.234 6.238 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.363 5.909 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.610 5.748 5.744 1.00 0.00 H new ATOM 319 N VAL A 21 6.618 8.396 10.148 1.00 0.00 N ATOM 320 CA VAL A 21 6.988 8.592 11.547 1.00 0.00 C ATOM 321 C VAL A 21 6.241 7.617 12.454 1.00 0.00 C ATOM 322 O VAL A 21 6.774 7.165 13.462 1.00 0.00 O ATOM 323 CB VAL A 21 6.726 10.039 12.019 1.00 0.00 C ATOM 324 CG1 VAL A 21 7.119 10.210 13.482 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.490 11.027 11.155 1.00 0.00 C ATOM 0 H VAL A 21 6.128 9.184 9.725 1.00 0.00 H new ATOM 0 HA VAL A 21 8.059 8.399 11.615 1.00 0.00 H new ATOM 0 HB VAL A 21 5.659 10.239 11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.926 11.237 13.793 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.533 9.528 14.098 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.179 9.988 13.602 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.294 12.041 11.502 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.558 10.820 11.224 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.167 10.929 10.118 1.00 0.00 H new ATOM 335 N VAL A 22 5.008 7.285 12.095 1.00 0.00 N ATOM 336 CA VAL A 22 4.240 6.312 12.863 1.00 0.00 C ATOM 337 C VAL A 22 4.903 4.937 12.799 1.00 0.00 C ATOM 338 O VAL A 22 5.031 4.251 13.815 1.00 0.00 O ATOM 339 CB VAL A 22 2.771 6.232 12.391 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.052 5.052 13.027 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.052 7.523 12.736 1.00 0.00 C ATOM 0 H VAL A 22 4.521 7.670 11.285 1.00 0.00 H new ATOM 0 HA VAL A 22 4.228 6.649 13.899 1.00 0.00 H new ATOM 0 HB VAL A 22 2.766 6.088 11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.021 5.022 12.676 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.557 4.126 12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.063 5.161 14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.016 7.463 12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.077 7.676 13.815 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.546 8.358 12.240 1.00 0.00 H new ATOM 351 N LEU A 23 5.333 4.535 11.608 1.00 0.00 N ATOM 352 CA LEU A 23 6.127 3.317 11.465 1.00 0.00 C ATOM 353 C LEU A 23 7.459 3.441 12.212 1.00 0.00 C ATOM 354 O LEU A 23 7.961 2.457 12.751 1.00 0.00 O ATOM 355 CB LEU A 23 6.379 3.003 9.989 1.00 0.00 C ATOM 356 CG LEU A 23 5.122 2.778 9.147 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.495 2.563 7.690 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.336 1.586 9.674 1.00 0.00 C ATOM 0 H LEU A 23 5.148 5.028 10.734 1.00 0.00 H new ATOM 0 HA LEU A 23 5.559 2.496 11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.948 3.823 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.004 2.112 9.925 1.00 0.00 H new ATOM 0 HG LEU A 23 4.493 3.666 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.591 2.404 7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.021 3.441 7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.141 1.689 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.445 1.439 9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.958 0.692 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.042 1.772 10.707 1.00 0.00 H new ATOM 370 N GLU A 24 8.019 4.650 12.244 1.00 0.00 N ATOM 371 CA GLU A 24 9.234 4.927 13.017 1.00 0.00 C ATOM 372 C GLU A 24 8.991 4.666 14.502 1.00 0.00 C ATOM 373 O GLU A 24 9.806 4.039 15.171 1.00 0.00 O ATOM 374 CB GLU A 24 9.683 6.378 12.790 1.00 0.00 C ATOM 375 CG GLU A 24 10.751 6.874 13.760 1.00 0.00 C ATOM 376 CD GLU A 24 12.055 6.108 13.664 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.718 6.178 12.607 1.00 0.00 O ATOM 378 OE2 GLU A 24 12.447 5.464 14.665 1.00 0.00 O ATOM 0 H GLU A 24 7.650 5.458 11.742 1.00 0.00 H new ATOM 0 HA GLU A 24 10.027 4.260 12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.064 6.471 11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.812 7.029 12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.943 7.930 13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.369 6.800 14.778 1.00 0.00 H new ATOM 385 N LYS A 25 7.849 5.131 15.004 1.00 0.00 N ATOM 386 CA LYS A 25 7.457 4.891 16.393 1.00 0.00 C ATOM 387 C LYS A 25 7.304 3.394 16.657 1.00 0.00 C ATOM 388 O LYS A 25 7.411 2.931 17.793 1.00 0.00 O ATOM 389 CB LYS A 25 6.136 5.602 16.706 1.00 0.00 C ATOM 390 CG LYS A 25 6.182 7.106 16.501 1.00 0.00 C ATOM 391 CD LYS A 25 4.798 7.722 16.610 1.00 0.00 C ATOM 392 CE LYS A 25 4.835 9.226 16.383 1.00 0.00 C ATOM 393 NZ LYS A 25 5.504 9.948 17.498 1.00 0.00 N ATOM 0 H LYS A 25 7.176 5.678 14.468 1.00 0.00 H new ATOM 0 HA LYS A 25 8.240 5.288 17.039 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.351 5.183 16.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.859 5.395 17.740 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.842 7.556 17.243 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.605 7.329 15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.135 7.259 15.879 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.382 7.512 17.596 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.358 9.438 15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.817 9.599 16.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.446 10.973 17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.032 9.715 18.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.503 9.662 17.547 1.00 0.00 H new ATOM 407 N HIS A 26 7.049 2.644 15.593 1.00 0.00 N ATOM 408 CA HIS A 26 6.893 1.199 15.686 1.00 0.00 C ATOM 409 C HIS A 26 8.248 0.511 15.628 1.00 0.00 C ATOM 410 O HIS A 26 8.442 -0.544 16.228 1.00 0.00 O ATOM 411 CB HIS A 26 6.001 0.681 14.551 1.00 0.00 C ATOM 412 CG HIS A 26 4.589 1.170 14.623 1.00 0.00 C ATOM 413 ND1 HIS A 26 3.744 1.213 13.532 1.00 0.00 N ATOM 414 CD2 HIS A 26 3.870 1.633 15.668 1.00 0.00 C ATOM 415 CE1 HIS A 26 2.568 1.680 13.911 1.00 0.00 C ATOM 416 NE2 HIS A 26 2.619 1.940 15.202 1.00 0.00 N ATOM 0 H HIS A 26 6.945 3.016 14.649 1.00 0.00 H new ATOM 0 HA HIS A 26 6.421 0.970 16.641 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.432 0.982 13.596 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.000 -0.409 14.571 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.218 1.741 16.685 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.710 1.824 13.271 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.852 2.310 15.763 1.00 0.00 H new ATOM 425 N LYS A 27 9.181 1.131 14.908 1.00 0.00 N ATOM 426 CA LYS A 27 10.512 0.568 14.690 1.00 0.00 C ATOM 427 C LYS A 27 10.396 -0.805 14.040 1.00 0.00 C ATOM 428 O LYS A 27 11.132 -1.738 14.365 1.00 0.00 O ATOM 429 CB LYS A 27 11.294 0.504 16.006 1.00 0.00 C ATOM 430 CG LYS A 27 11.484 1.873 16.634 1.00 0.00 C ATOM 431 CD LYS A 27 12.358 1.827 17.870 1.00 0.00 C ATOM 432 CE LYS A 27 12.476 3.205 18.498 1.00 0.00 C ATOM 433 NZ LYS A 27 12.996 4.214 17.537 1.00 0.00 N ATOM 0 H LYS A 27 9.036 2.036 14.460 1.00 0.00 H new ATOM 0 HA LYS A 27 11.067 1.218 14.013 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.768 -0.144 16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.269 0.052 15.824 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.930 2.546 15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.511 2.287 16.896 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.937 1.128 18.593 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.349 1.456 17.607 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.499 3.522 18.863 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.138 3.154 19.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.284 5.069 18.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.816 3.822 17.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.252 4.457 16.853 1.00 0.00 H new ATOM 447 N ALA A 28 9.469 -0.895 13.098 1.00 0.00 N ATOM 448 CA ALA A 28 9.195 -2.134 12.393 1.00 0.00 C ATOM 449 C ALA A 28 10.246 -2.385 11.317 1.00 0.00 C ATOM 450 O ALA A 28 10.649 -1.459 10.608 1.00 0.00 O ATOM 451 CB ALA A 28 7.803 -2.080 11.773 1.00 0.00 C ATOM 0 H ALA A 28 8.887 -0.111 12.803 1.00 0.00 H new ATOM 0 HA ALA A 28 9.235 -2.958 13.106 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.603 -3.013 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.060 -1.941 12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.749 -1.248 11.071 1.00 0.00 H new ATOM 457 N PRO A 29 10.719 -3.634 11.194 1.00 0.00 N ATOM 458 CA PRO A 29 11.656 -4.023 10.138 1.00 0.00 C ATOM 459 C PRO A 29 10.998 -3.954 8.763 1.00 0.00 C ATOM 460 O PRO A 29 9.771 -3.837 8.663 1.00 0.00 O ATOM 461 CB PRO A 29 12.023 -5.474 10.481 1.00 0.00 C ATOM 462 CG PRO A 29 11.564 -5.680 11.887 1.00 0.00 C ATOM 463 CD PRO A 29 10.393 -4.761 12.077 1.00 0.00 C ATOM 0 HA PRO A 29 12.522 -3.363 10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.535 -6.173 9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.097 -5.639 10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.277 -6.718 12.056 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.360 -5.450 12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.454 -5.238 11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.291 -4.445 13.115 1.00 0.00 H new ATOM 471 N THR A 30 11.810 -4.038 7.712 1.00 0.00 N ATOM 472 CA THR A 30 11.312 -3.973 6.338 1.00 0.00 C ATOM 473 C THR A 30 10.162 -4.958 6.111 1.00 0.00 C ATOM 474 O THR A 30 9.173 -4.623 5.457 1.00 0.00 O ATOM 475 CB THR A 30 12.446 -4.257 5.330 1.00 0.00 C ATOM 476 OG1 THR A 30 13.577 -3.425 5.630 1.00 0.00 O ATOM 477 CG2 THR A 30 11.991 -3.993 3.901 1.00 0.00 C ATOM 0 H THR A 30 12.821 -4.152 7.785 1.00 0.00 H new ATOM 0 HA THR A 30 10.936 -2.962 6.178 1.00 0.00 H new ATOM 0 HB THR A 30 12.722 -5.308 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.296 -3.608 4.990 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.811 -4.202 3.214 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.145 -4.638 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.691 -2.950 3.802 1.00 0.00 H new ATOM 485 N ASP A 31 10.287 -6.157 6.679 1.00 0.00 N ATOM 486 CA ASP A 31 9.253 -7.184 6.570 1.00 0.00 C ATOM 487 C ASP A 31 7.910 -6.656 7.053 1.00 0.00 C ATOM 488 O ASP A 31 6.971 -6.497 6.273 1.00 0.00 O ATOM 489 CB ASP A 31 9.623 -8.407 7.414 1.00 0.00 C ATOM 490 CG ASP A 31 10.981 -8.979 7.079 1.00 0.00 C ATOM 491 OD1 ASP A 31 11.996 -8.417 7.548 1.00 0.00 O ATOM 492 OD2 ASP A 31 11.038 -10.005 6.372 1.00 0.00 O ATOM 0 H ASP A 31 11.101 -6.442 7.223 1.00 0.00 H new ATOM 0 HA ASP A 31 9.179 -7.464 5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.603 -8.131 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.867 -9.179 7.272 1.00 0.00 H new ATOM 497 N LEU A 32 7.837 -6.367 8.349 1.00 0.00 N ATOM 498 CA LEU A 32 6.592 -5.942 8.981 1.00 0.00 C ATOM 499 C LEU A 32 6.093 -4.625 8.392 1.00 0.00 C ATOM 500 O LEU A 32 4.889 -4.380 8.342 1.00 0.00 O ATOM 501 CB LEU A 32 6.788 -5.812 10.496 1.00 0.00 C ATOM 502 CG LEU A 32 5.528 -5.480 11.304 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.438 -6.512 11.054 1.00 0.00 C ATOM 504 CD2 LEU A 32 5.861 -5.400 12.787 1.00 0.00 C ATOM 0 H LEU A 32 8.632 -6.420 8.986 1.00 0.00 H new ATOM 0 HA LEU A 32 5.835 -6.702 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.202 -6.748 10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.531 -5.037 10.682 1.00 0.00 H new ATOM 0 HG LEU A 32 5.154 -4.509 10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.554 -6.256 11.638 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.183 -6.522 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.796 -7.498 11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.958 -5.164 13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.258 -6.358 13.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.606 -4.621 12.951 1.00 0.00 H new ATOM 516 N SER A 33 7.018 -3.789 7.941 1.00 0.00 N ATOM 517 CA SER A 33 6.662 -2.521 7.322 1.00 0.00 C ATOM 518 C SER A 33 5.860 -2.763 6.042 1.00 0.00 C ATOM 519 O SER A 33 4.773 -2.214 5.871 1.00 0.00 O ATOM 520 CB SER A 33 7.922 -1.704 7.021 1.00 0.00 C ATOM 521 OG SER A 33 7.596 -0.401 6.573 1.00 0.00 O ATOM 0 H SER A 33 8.021 -3.967 7.993 1.00 0.00 H new ATOM 0 HA SER A 33 6.042 -1.954 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.538 -1.639 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.516 -2.214 6.262 1.00 0.00 H new ATOM 0 HG SER A 33 8.420 0.098 6.390 1.00 0.00 H new ATOM 527 N LEU A 34 6.385 -3.608 5.160 1.00 0.00 N ATOM 528 CA LEU A 34 5.698 -3.937 3.912 1.00 0.00 C ATOM 529 C LEU A 34 4.391 -4.671 4.200 1.00 0.00 C ATOM 530 O LEU A 34 3.376 -4.446 3.533 1.00 0.00 O ATOM 531 CB LEU A 34 6.592 -4.793 3.013 1.00 0.00 C ATOM 532 CG LEU A 34 7.881 -4.117 2.540 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.724 -5.092 1.737 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.565 -2.879 1.713 1.00 0.00 C ATOM 0 H LEU A 34 7.282 -4.077 5.284 1.00 0.00 H new ATOM 0 HA LEU A 34 5.472 -3.006 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.855 -5.704 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.017 -5.095 2.138 1.00 0.00 H new ATOM 0 HG LEU A 34 8.449 -3.806 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.638 -4.597 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.980 -5.950 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.160 -5.430 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.494 -2.413 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.976 -3.164 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.998 -2.172 2.318 1.00 0.00 H new ATOM 546 N MET A 35 4.421 -5.539 5.209 1.00 0.00 N ATOM 547 CA MET A 35 3.236 -6.286 5.622 1.00 0.00 C ATOM 548 C MET A 35 2.136 -5.335 6.074 1.00 0.00 C ATOM 549 O MET A 35 0.962 -5.524 5.746 1.00 0.00 O ATOM 550 CB MET A 35 3.580 -7.259 6.754 1.00 0.00 C ATOM 551 CG MET A 35 4.579 -8.334 6.351 1.00 0.00 C ATOM 552 SD MET A 35 3.895 -9.541 5.203 1.00 0.00 S ATOM 553 CE MET A 35 2.849 -10.489 6.305 1.00 0.00 C ATOM 0 H MET A 35 5.257 -5.743 5.757 1.00 0.00 H new ATOM 0 HA MET A 35 2.879 -6.856 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.984 -6.696 7.595 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.664 -7.738 7.101 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.449 -7.861 5.895 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.929 -8.850 7.245 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.536 -11.408 5.809 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.404 -10.737 7.210 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.970 -9.901 6.568 1.00 0.00 H new ATOM 563 N ALA A 36 2.522 -4.308 6.823 1.00 0.00 N ATOM 564 CA ALA A 36 1.580 -3.302 7.287 1.00 0.00 C ATOM 565 C ALA A 36 0.994 -2.532 6.110 1.00 0.00 C ATOM 566 O ALA A 36 -0.221 -2.350 6.019 1.00 0.00 O ATOM 567 CB ALA A 36 2.255 -2.345 8.263 1.00 0.00 C ATOM 0 H ALA A 36 3.485 -4.152 7.121 1.00 0.00 H new ATOM 0 HA ALA A 36 0.767 -3.810 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.534 -1.600 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.627 -2.904 9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.088 -1.847 7.767 1.00 0.00 H new ATOM 573 N LEU A 37 1.859 -2.098 5.204 1.00 0.00 N ATOM 574 CA LEU A 37 1.428 -1.350 4.030 1.00 0.00 C ATOM 575 C LEU A 37 0.407 -2.141 3.217 1.00 0.00 C ATOM 576 O LEU A 37 -0.655 -1.627 2.878 1.00 0.00 O ATOM 577 CB LEU A 37 2.630 -0.970 3.156 1.00 0.00 C ATOM 578 CG LEU A 37 3.250 0.403 3.443 1.00 0.00 C ATOM 579 CD1 LEU A 37 2.250 1.507 3.148 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.735 0.496 4.883 1.00 0.00 C ATOM 0 H LEU A 37 2.866 -2.251 5.259 1.00 0.00 H new ATOM 0 HA LEU A 37 0.949 -0.434 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.401 -1.730 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.320 -0.998 2.111 1.00 0.00 H new ATOM 0 HG LEU A 37 4.113 0.527 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.705 2.475 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.957 1.462 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.369 1.377 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.170 1.480 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.895 0.345 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.489 -0.271 5.063 1.00 0.00 H new ATOM 592 N GLY A 38 0.714 -3.403 2.944 1.00 0.00 N ATOM 593 CA GLY A 38 -0.170 -4.232 2.142 1.00 0.00 C ATOM 594 C GLY A 38 -1.564 -4.364 2.731 1.00 0.00 C ATOM 595 O GLY A 38 -2.554 -4.380 1.999 1.00 0.00 O ATOM 0 H GLY A 38 1.562 -3.870 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.244 -3.809 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.269 -5.224 2.037 1.00 0.00 H new ATOM 599 N ASN A 39 -1.651 -4.443 4.052 1.00 0.00 N ATOM 600 CA ASN A 39 -2.935 -4.646 4.713 1.00 0.00 C ATOM 601 C ASN A 39 -3.745 -3.356 4.777 1.00 0.00 C ATOM 602 O ASN A 39 -4.935 -3.350 4.462 1.00 0.00 O ATOM 603 CB ASN A 39 -2.742 -5.200 6.124 1.00 0.00 C ATOM 604 CG ASN A 39 -2.502 -6.699 6.142 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.441 -7.487 6.246 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.245 -7.106 6.056 1.00 0.00 N ATOM 0 H ASN A 39 -0.854 -4.370 4.684 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.489 -5.371 4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.898 -4.696 6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.624 -4.971 6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.029 -8.103 6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.492 -6.423 5.971 1.00 0.00 H new ATOM 613 N CYS A 40 -3.101 -2.263 5.177 1.00 0.00 N ATOM 614 CA CYS A 40 -3.801 -0.994 5.349 1.00 0.00 C ATOM 615 C CYS A 40 -4.309 -0.459 4.015 1.00 0.00 C ATOM 616 O CYS A 40 -5.411 0.084 3.941 1.00 0.00 O ATOM 617 CB CYS A 40 -2.907 0.040 6.045 1.00 0.00 C ATOM 618 SG CYS A 40 -1.313 0.318 5.246 1.00 0.00 S ATOM 0 H CYS A 40 -2.103 -2.230 5.387 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.665 -1.178 5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.443 0.988 6.096 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.732 -0.283 7.071 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.499 -0.648 5.553 1.00 0.00 H new ATOM 624 N VAL A 41 -3.512 -0.631 2.960 1.00 0.00 N ATOM 625 CA VAL A 41 -3.916 -0.204 1.624 1.00 0.00 C ATOM 626 C VAL A 41 -5.139 -0.983 1.163 1.00 0.00 C ATOM 627 O VAL A 41 -6.121 -0.393 0.715 1.00 0.00 O ATOM 628 CB VAL A 41 -2.781 -0.375 0.586 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.262 -0.010 -0.811 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.574 0.469 0.964 1.00 0.00 C ATOM 0 H VAL A 41 -2.588 -1.061 3.006 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.155 0.857 1.692 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.485 -1.424 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.446 -0.139 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.092 -0.658 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.593 1.029 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.788 0.334 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.862 1.520 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.206 0.160 1.942 1.00 0.00 H new ATOM 640 N THR A 42 -5.094 -2.303 1.311 1.00 0.00 N ATOM 641 CA THR A 42 -6.189 -3.152 0.863 1.00 0.00 C ATOM 642 C THR A 42 -7.467 -2.835 1.636 1.00 0.00 C ATOM 643 O THR A 42 -8.559 -2.820 1.069 1.00 0.00 O ATOM 644 CB THR A 42 -5.838 -4.645 1.025 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.605 -4.926 0.351 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.935 -5.534 0.457 1.00 0.00 C ATOM 0 H THR A 42 -4.314 -2.805 1.736 1.00 0.00 H new ATOM 0 HA THR A 42 -6.353 -2.948 -0.195 1.00 0.00 H new ATOM 0 HB THR A 42 -5.739 -4.856 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.890 -5.039 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.659 -6.580 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.870 -5.338 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.063 -5.321 -0.604 1.00 0.00 H new ATOM 654 N HIS A 43 -7.314 -2.546 2.924 1.00 0.00 N ATOM 655 CA HIS A 43 -8.446 -2.221 3.787 1.00 0.00 C ATOM 656 C HIS A 43 -9.169 -0.962 3.299 1.00 0.00 C ATOM 657 O HIS A 43 -10.371 -0.810 3.512 1.00 0.00 O ATOM 658 CB HIS A 43 -7.963 -2.040 5.235 1.00 0.00 C ATOM 659 CG HIS A 43 -9.057 -1.766 6.228 1.00 0.00 C ATOM 660 ND1 HIS A 43 -9.670 -2.753 6.976 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.629 -0.601 6.613 1.00 0.00 C ATOM 662 CE1 HIS A 43 -10.568 -2.204 7.772 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.563 -0.900 7.574 1.00 0.00 N ATOM 0 H HIS A 43 -6.410 -2.530 3.397 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.157 -3.047 3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.429 -2.939 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.248 -1.218 5.266 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.394 0.383 6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.201 -2.734 8.469 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.156 -0.224 8.056 1.00 0.00 H new ATOM 672 N LEU A 44 -8.438 -0.074 2.634 1.00 0.00 N ATOM 673 CA LEU A 44 -9.011 1.173 2.141 1.00 0.00 C ATOM 674 C LEU A 44 -10.086 0.901 1.092 1.00 0.00 C ATOM 675 O LEU A 44 -11.251 1.267 1.274 1.00 0.00 O ATOM 676 CB LEU A 44 -7.916 2.071 1.559 1.00 0.00 C ATOM 677 CG LEU A 44 -6.861 2.551 2.559 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.786 3.361 1.851 1.00 0.00 C ATOM 679 CD2 LEU A 44 -7.513 3.377 3.653 1.00 0.00 C ATOM 0 H LEU A 44 -7.447 -0.195 2.424 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.476 1.688 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.413 1.529 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.387 2.944 1.107 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.391 1.679 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.044 3.694 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.302 2.742 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.240 4.228 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.752 3.712 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.005 4.243 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.251 2.769 4.177 1.00 0.00 H new ATOM 691 N LEU A 45 -9.708 0.233 0.004 1.00 0.00 N ATOM 692 CA LEU A 45 -10.664 -0.047 -1.066 1.00 0.00 C ATOM 693 C LEU A 45 -11.570 -1.223 -0.703 1.00 0.00 C ATOM 694 O LEU A 45 -12.536 -1.522 -1.404 1.00 0.00 O ATOM 695 CB LEU A 45 -9.977 -0.241 -2.448 1.00 0.00 C ATOM 696 CG LEU A 45 -8.942 -1.382 -2.639 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.750 -1.233 -1.713 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.573 -2.758 -2.486 1.00 0.00 C ATOM 0 H LEU A 45 -8.765 -0.119 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.295 0.836 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.766 -0.390 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.479 0.696 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.579 -1.295 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.053 -2.054 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.250 -0.285 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.089 -1.253 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.812 -3.525 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.002 -2.853 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.358 -2.883 -3.232 1.00 0.00 H new ATOM 710 N GLU A 46 -11.260 -1.877 0.402 1.00 0.00 N ATOM 711 CA GLU A 46 -12.087 -2.955 0.912 1.00 0.00 C ATOM 712 C GLU A 46 -13.300 -2.392 1.645 1.00 0.00 C ATOM 713 O GLU A 46 -14.413 -2.906 1.524 1.00 0.00 O ATOM 714 CB GLU A 46 -11.255 -3.848 1.843 1.00 0.00 C ATOM 715 CG GLU A 46 -12.047 -4.912 2.583 1.00 0.00 C ATOM 716 CD GLU A 46 -12.185 -4.610 4.066 1.00 0.00 C ATOM 717 OE1 GLU A 46 -11.223 -4.868 4.822 1.00 0.00 O ATOM 718 OE2 GLU A 46 -13.258 -4.128 4.484 1.00 0.00 O ATOM 0 H GLU A 46 -10.435 -1.678 0.967 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.446 -3.557 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.478 -4.337 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.751 -3.216 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.039 -4.996 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.558 -5.878 2.456 1.00 0.00 H new ATOM 725 N ARG A 47 -13.086 -1.309 2.375 1.00 0.00 N ATOM 726 CA ARG A 47 -14.110 -0.769 3.257 1.00 0.00 C ATOM 727 C ARG A 47 -14.879 0.387 2.611 1.00 0.00 C ATOM 728 O ARG A 47 -15.985 0.714 3.037 1.00 0.00 O ATOM 729 CB ARG A 47 -13.459 -0.306 4.565 1.00 0.00 C ATOM 730 CG ARG A 47 -14.443 -0.031 5.690 1.00 0.00 C ATOM 731 CD ARG A 47 -15.276 -1.261 6.021 1.00 0.00 C ATOM 732 NE ARG A 47 -14.447 -2.449 6.233 1.00 0.00 N ATOM 733 CZ ARG A 47 -14.118 -2.930 7.429 1.00 0.00 C ATOM 734 NH1 ARG A 47 -14.508 -2.304 8.535 1.00 0.00 N ATOM 735 NH2 ARG A 47 -13.385 -4.033 7.511 1.00 0.00 N ATOM 0 H ARG A 47 -12.211 -0.785 2.374 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.832 -1.560 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.752 -1.067 4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.885 0.600 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.900 0.291 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.102 0.789 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.867 -1.068 6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.979 -1.451 5.210 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.099 -2.940 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.062 -1.450 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.253 -2.677 9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.078 -4.506 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.129 -4.408 8.424 1.00 0.00 H new ATOM 749 N LYS A 48 -14.307 1.005 1.587 1.00 0.00 N ATOM 750 CA LYS A 48 -14.939 2.166 0.967 1.00 0.00 C ATOM 751 C LYS A 48 -15.343 1.913 -0.482 1.00 0.00 C ATOM 752 O LYS A 48 -16.025 2.738 -1.087 1.00 0.00 O ATOM 753 CB LYS A 48 -14.021 3.384 1.069 1.00 0.00 C ATOM 754 CG LYS A 48 -14.220 4.171 2.351 1.00 0.00 C ATOM 755 CD LYS A 48 -15.508 4.974 2.295 1.00 0.00 C ATOM 756 CE LYS A 48 -16.013 5.341 3.682 1.00 0.00 C ATOM 757 NZ LYS A 48 -16.538 4.159 4.417 1.00 0.00 N ATOM 0 H LYS A 48 -13.418 0.728 1.171 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.860 2.363 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.983 3.056 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.199 4.039 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.248 3.489 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.375 4.841 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.343 5.883 1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.272 4.398 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.203 5.793 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.799 6.091 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.123 4.478 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.115 3.579 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.743 3.592 4.776 1.00 0.00 H new ATOM 771 N VAL A 49 -14.951 0.774 -1.029 1.00 0.00 N ATOM 772 CA VAL A 49 -15.267 0.462 -2.413 1.00 0.00 C ATOM 773 C VAL A 49 -16.029 -0.860 -2.511 1.00 0.00 C ATOM 774 O VAL A 49 -15.607 -1.867 -1.939 1.00 0.00 O ATOM 775 CB VAL A 49 -13.987 0.392 -3.280 1.00 0.00 C ATOM 776 CG1 VAL A 49 -14.329 0.087 -4.730 1.00 0.00 C ATOM 777 CG2 VAL A 49 -13.197 1.692 -3.183 1.00 0.00 C ATOM 0 H VAL A 49 -14.417 0.055 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.898 1.266 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.367 -0.418 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.413 0.043 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.844 -0.872 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.976 0.871 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.301 1.620 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.814 2.520 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.910 1.867 -2.146 1.00 0.00 H new ATOM 787 N PRO A 50 -17.174 -0.859 -3.219 1.00 0.00 N ATOM 788 CA PRO A 50 -17.964 -2.072 -3.471 1.00 0.00 C ATOM 789 C PRO A 50 -17.129 -3.170 -4.121 1.00 0.00 C ATOM 790 O PRO A 50 -16.190 -2.883 -4.858 1.00 0.00 O ATOM 791 CB PRO A 50 -19.061 -1.596 -4.427 1.00 0.00 C ATOM 792 CG PRO A 50 -19.177 -0.135 -4.171 1.00 0.00 C ATOM 793 CD PRO A 50 -17.797 0.334 -3.815 1.00 0.00 C ATOM 0 HA PRO A 50 -18.350 -2.508 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.796 -1.796 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.004 -2.108 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -19.551 0.387 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.878 0.065 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -17.250 0.676 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.824 1.167 -3.112 1.00 0.00 H new ATOM 801 N SER A 51 -17.488 -4.417 -3.857 1.00 0.00 N ATOM 802 CA SER A 51 -16.693 -5.565 -4.280 1.00 0.00 C ATOM 803 C SER A 51 -16.445 -5.573 -5.792 1.00 0.00 C ATOM 804 O SER A 51 -15.341 -5.886 -6.248 1.00 0.00 O ATOM 805 CB SER A 51 -17.395 -6.856 -3.859 1.00 0.00 C ATOM 806 OG SER A 51 -17.835 -6.775 -2.512 1.00 0.00 O ATOM 0 H SER A 51 -18.335 -4.664 -3.345 1.00 0.00 H new ATOM 0 HA SER A 51 -15.720 -5.492 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.246 -7.042 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.714 -7.699 -3.974 1.00 0.00 H new ATOM 0 HG SER A 51 -18.283 -7.610 -2.263 1.00 0.00 H new ATOM 812 N GLU A 52 -17.466 -5.205 -6.553 1.00 0.00 N ATOM 813 CA GLU A 52 -17.389 -5.195 -8.010 1.00 0.00 C ATOM 814 C GLU A 52 -16.290 -4.253 -8.509 1.00 0.00 C ATOM 815 O GLU A 52 -15.612 -4.542 -9.498 1.00 0.00 O ATOM 816 CB GLU A 52 -18.740 -4.786 -8.608 1.00 0.00 C ATOM 817 CG GLU A 52 -19.853 -5.819 -8.426 1.00 0.00 C ATOM 818 CD GLU A 52 -20.205 -6.082 -6.972 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.157 -5.128 -6.161 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.525 -7.244 -6.636 1.00 0.00 O ATOM 0 H GLU A 52 -18.368 -4.906 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.140 -6.205 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.055 -3.847 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.609 -4.596 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.745 -5.477 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.548 -6.756 -8.893 1.00 0.00 H new ATOM 827 N SER A 53 -16.109 -3.134 -7.826 1.00 0.00 N ATOM 828 CA SER A 53 -15.087 -2.168 -8.209 1.00 0.00 C ATOM 829 C SER A 53 -13.821 -2.358 -7.379 1.00 0.00 C ATOM 830 O SER A 53 -12.752 -1.864 -7.729 1.00 0.00 O ATOM 831 CB SER A 53 -15.627 -0.746 -8.057 1.00 0.00 C ATOM 832 OG SER A 53 -16.774 -0.560 -8.872 1.00 0.00 O ATOM 0 H SER A 53 -16.654 -2.871 -7.005 1.00 0.00 H new ATOM 0 HA SER A 53 -14.828 -2.333 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.880 -0.556 -7.014 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.856 -0.027 -8.334 1.00 0.00 H new ATOM 0 HG SER A 53 -17.109 0.355 -8.762 1.00 0.00 H new ATOM 838 N ARG A 54 -13.955 -3.097 -6.287 1.00 0.00 N ATOM 839 CA ARG A 54 -12.850 -3.402 -5.391 1.00 0.00 C ATOM 840 C ARG A 54 -11.729 -4.100 -6.155 1.00 0.00 C ATOM 841 O ARG A 54 -10.548 -3.821 -5.947 1.00 0.00 O ATOM 842 CB ARG A 54 -13.374 -4.288 -4.263 1.00 0.00 C ATOM 843 CG ARG A 54 -12.454 -4.414 -3.066 1.00 0.00 C ATOM 844 CD ARG A 54 -13.158 -5.127 -1.923 1.00 0.00 C ATOM 845 NE ARG A 54 -14.364 -4.416 -1.509 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.439 -5.001 -0.986 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.460 -6.312 -0.796 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.491 -4.263 -0.654 1.00 0.00 N ATOM 0 H ARG A 54 -14.843 -3.506 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.442 -2.483 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.332 -3.892 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.564 -5.284 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.556 -4.964 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.133 -3.424 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.419 -6.140 -2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.478 -5.217 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.384 -3.403 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.650 -6.877 -1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.286 -6.756 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.472 -3.254 -0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.318 -4.705 -0.253 1.00 0.00 H new ATOM 862 N GLN A 55 -12.123 -4.993 -7.058 1.00 0.00 N ATOM 863 CA GLN A 55 -11.179 -5.702 -7.915 1.00 0.00 C ATOM 864 C GLN A 55 -10.473 -4.728 -8.858 1.00 0.00 C ATOM 865 O GLN A 55 -9.276 -4.843 -9.113 1.00 0.00 O ATOM 866 CB GLN A 55 -11.919 -6.764 -8.736 1.00 0.00 C ATOM 867 CG GLN A 55 -12.757 -7.714 -7.898 1.00 0.00 C ATOM 868 CD GLN A 55 -13.597 -8.646 -8.749 1.00 0.00 C ATOM 869 OE1 GLN A 55 -14.730 -8.328 -9.109 1.00 0.00 O ATOM 870 NE2 GLN A 55 -13.048 -9.799 -9.088 1.00 0.00 N ATOM 0 H GLN A 55 -13.099 -5.244 -7.216 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.432 -6.183 -7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.565 -6.266 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.191 -7.342 -9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.102 -8.303 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.410 -7.137 -7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.106 -10.028 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.566 -10.460 -9.667 1.00 0.00 H new ATOM 879 N ALA A 56 -11.227 -3.751 -9.347 1.00 0.00 N ATOM 880 CA ALA A 56 -10.716 -2.801 -10.327 1.00 0.00 C ATOM 881 C ALA A 56 -9.758 -1.802 -9.691 1.00 0.00 C ATOM 882 O ALA A 56 -8.757 -1.417 -10.298 1.00 0.00 O ATOM 883 CB ALA A 56 -11.869 -2.076 -10.999 1.00 0.00 C ATOM 0 H ALA A 56 -12.199 -3.596 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.158 -3.360 -11.078 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.477 -1.368 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.510 -2.800 -11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.448 -1.539 -10.248 1.00 0.00 H new ATOM 889 N VAL A 57 -10.067 -1.374 -8.471 1.00 0.00 N ATOM 890 CA VAL A 57 -9.211 -0.434 -7.757 1.00 0.00 C ATOM 891 C VAL A 57 -7.849 -1.060 -7.487 1.00 0.00 C ATOM 892 O VAL A 57 -6.813 -0.424 -7.684 1.00 0.00 O ATOM 893 CB VAL A 57 -9.839 0.027 -6.424 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.906 0.977 -5.683 1.00 0.00 C ATOM 895 CG2 VAL A 57 -11.187 0.686 -6.668 1.00 0.00 C ATOM 0 H VAL A 57 -10.900 -1.662 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.096 0.442 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.993 -0.853 -5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.371 1.288 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.965 0.470 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.714 1.854 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.614 1.004 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.056 1.553 -7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.859 -0.026 -7.147 1.00 0.00 H new ATOM 905 N ALA A 58 -7.861 -2.318 -7.061 1.00 0.00 N ATOM 906 CA ALA A 58 -6.628 -3.048 -6.796 1.00 0.00 C ATOM 907 C ALA A 58 -5.769 -3.143 -8.054 1.00 0.00 C ATOM 908 O ALA A 58 -4.556 -2.943 -8.004 1.00 0.00 O ATOM 909 CB ALA A 58 -6.940 -4.439 -6.265 1.00 0.00 C ATOM 0 H ALA A 58 -8.712 -2.854 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.066 -2.500 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.009 -4.972 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.509 -4.356 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.526 -4.987 -7.003 1.00 0.00 H new ATOM 915 N GLU A 59 -6.410 -3.432 -9.181 1.00 0.00 N ATOM 916 CA GLU A 59 -5.717 -3.548 -10.460 1.00 0.00 C ATOM 917 C GLU A 59 -5.058 -2.220 -10.842 1.00 0.00 C ATOM 918 O GLU A 59 -3.870 -2.172 -11.168 1.00 0.00 O ATOM 919 CB GLU A 59 -6.705 -3.974 -11.551 1.00 0.00 C ATOM 920 CG GLU A 59 -6.050 -4.290 -12.886 1.00 0.00 C ATOM 921 CD GLU A 59 -5.288 -5.599 -12.874 1.00 0.00 C ATOM 922 OE1 GLU A 59 -4.202 -5.661 -12.265 1.00 0.00 O ATOM 923 OE2 GLU A 59 -5.768 -6.575 -13.491 1.00 0.00 O ATOM 0 H GLU A 59 -7.416 -3.591 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.938 -4.304 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.252 -4.852 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.437 -3.179 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.816 -4.328 -13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.369 -3.481 -13.151 1.00 0.00 H new ATOM 930 N GLN A 60 -5.835 -1.142 -10.776 1.00 0.00 N ATOM 931 CA GLN A 60 -5.348 0.186 -11.147 1.00 0.00 C ATOM 932 C GLN A 60 -4.253 0.663 -10.194 1.00 0.00 C ATOM 933 O GLN A 60 -3.308 1.339 -10.608 1.00 0.00 O ATOM 934 CB GLN A 60 -6.505 1.187 -11.169 1.00 0.00 C ATOM 935 CG GLN A 60 -7.523 0.906 -12.266 1.00 0.00 C ATOM 936 CD GLN A 60 -8.769 1.765 -12.151 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.843 2.862 -12.709 1.00 0.00 O ATOM 938 NE2 GLN A 60 -9.760 1.264 -11.433 1.00 0.00 N ATOM 0 H GLN A 60 -6.807 -1.161 -10.468 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.917 0.119 -12.146 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.009 1.171 -10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.105 2.192 -11.303 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.059 1.077 -13.237 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.808 -0.145 -12.229 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.657 0.352 -10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.627 1.789 -11.324 1.00 0.00 H new ATOM 947 N PHE A 61 -4.382 0.304 -8.922 1.00 0.00 N ATOM 948 CA PHE A 61 -3.378 0.653 -7.927 1.00 0.00 C ATOM 949 C PHE A 61 -2.087 -0.115 -8.191 1.00 0.00 C ATOM 950 O PHE A 61 -0.994 0.453 -8.145 1.00 0.00 O ATOM 951 CB PHE A 61 -3.897 0.348 -6.516 1.00 0.00 C ATOM 952 CG PHE A 61 -2.923 0.696 -5.423 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.843 1.990 -4.933 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.089 -0.273 -4.884 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.950 2.311 -3.929 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.193 0.042 -3.882 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.124 1.335 -3.402 1.00 0.00 C ATOM 0 H PHE A 61 -5.172 -0.228 -8.557 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.172 1.721 -7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.824 0.898 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.140 -0.713 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.486 2.756 -5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.141 -1.287 -5.253 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.897 3.323 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.547 -0.722 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.426 1.584 -2.616 1.00 0.00 H new ATOM 967 N ALA A 62 -2.227 -1.403 -8.483 1.00 0.00 N ATOM 968 CA ALA A 62 -1.084 -2.263 -8.754 1.00 0.00 C ATOM 969 C ALA A 62 -0.276 -1.743 -9.935 1.00 0.00 C ATOM 970 O ALA A 62 0.952 -1.686 -9.879 1.00 0.00 O ATOM 971 CB ALA A 62 -1.544 -3.690 -9.012 1.00 0.00 C ATOM 0 H ALA A 62 -3.129 -1.876 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.439 -2.256 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.678 -4.321 -9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.071 -4.066 -8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.213 -3.707 -9.873 1.00 0.00 H new ATOM 977 N LYS A 63 -0.972 -1.351 -10.994 1.00 0.00 N ATOM 978 CA LYS A 63 -0.319 -0.804 -12.176 1.00 0.00 C ATOM 979 C LYS A 63 0.424 0.482 -11.841 1.00 0.00 C ATOM 980 O LYS A 63 1.582 0.655 -12.221 1.00 0.00 O ATOM 981 CB LYS A 63 -1.341 -0.555 -13.289 1.00 0.00 C ATOM 982 CG LYS A 63 -1.493 -1.719 -14.259 1.00 0.00 C ATOM 983 CD LYS A 63 -1.768 -3.034 -13.545 1.00 0.00 C ATOM 984 CE LYS A 63 -1.971 -4.169 -14.534 1.00 0.00 C ATOM 985 NZ LYS A 63 -2.139 -5.477 -13.850 1.00 0.00 N ATOM 0 H LYS A 63 -1.989 -1.402 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 63 0.408 -1.536 -12.529 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.310 -0.342 -12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.047 0.334 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.307 -1.507 -14.952 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.585 -1.814 -14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.936 -3.271 -12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.655 -2.932 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.849 -3.964 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.117 -4.219 -15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.506 -6.177 -14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.220 -5.798 -13.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.808 -5.373 -13.061 1.00 0.00 H new ATOM 999 N ALA A 64 -0.240 1.372 -11.109 1.00 0.00 N ATOM 1000 CA ALA A 64 0.369 2.631 -10.706 1.00 0.00 C ATOM 1001 C ALA A 64 1.625 2.382 -9.879 1.00 0.00 C ATOM 1002 O ALA A 64 2.669 2.985 -10.124 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.624 3.475 -9.921 1.00 0.00 C ATOM 0 H ALA A 64 -1.198 1.243 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 64 0.654 3.176 -11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.152 4.413 -9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.494 3.686 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.938 2.932 -9.029 1.00 0.00 H new ATOM 1009 N LEU A 65 1.516 1.476 -8.914 1.00 0.00 N ATOM 1010 CA LEU A 65 2.642 1.116 -8.061 1.00 0.00 C ATOM 1011 C LEU A 65 3.777 0.537 -8.898 1.00 0.00 C ATOM 1012 O LEU A 65 4.924 0.980 -8.802 1.00 0.00 O ATOM 1013 CB LEU A 65 2.197 0.092 -7.014 1.00 0.00 C ATOM 1014 CG LEU A 65 3.220 -0.225 -5.923 1.00 0.00 C ATOM 1015 CD1 LEU A 65 3.322 0.930 -4.941 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.846 -1.511 -5.205 1.00 0.00 C ATOM 0 H LEU A 65 0.653 0.975 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 65 2.999 2.014 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.287 0.458 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.939 -0.835 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 65 4.195 -0.364 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.054 0.689 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.635 1.831 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.350 1.100 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.584 -1.723 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.863 -1.400 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.823 -2.333 -5.920 1.00 0.00 H new ATOM 1028 N ALA A 66 3.442 -0.440 -9.734 1.00 0.00 N ATOM 1029 CA ALA A 66 4.423 -1.107 -10.581 1.00 0.00 C ATOM 1030 C ALA A 66 5.146 -0.114 -11.482 1.00 0.00 C ATOM 1031 O ALA A 66 6.376 -0.094 -11.532 1.00 0.00 O ATOM 1032 CB ALA A 66 3.754 -2.187 -11.416 1.00 0.00 C ATOM 0 H ALA A 66 2.490 -0.790 -9.843 1.00 0.00 H new ATOM 0 HA ALA A 66 5.165 -1.571 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.499 -2.676 -12.043 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.294 -2.924 -10.757 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.988 -1.737 -12.047 1.00 0.00 H new ATOM 1038 N GLN A 67 4.383 0.719 -12.181 1.00 0.00 N ATOM 1039 CA GLN A 67 4.960 1.705 -13.089 1.00 0.00 C ATOM 1040 C GLN A 67 5.834 2.706 -12.343 1.00 0.00 C ATOM 1041 O GLN A 67 6.835 3.178 -12.877 1.00 0.00 O ATOM 1042 CB GLN A 67 3.865 2.433 -13.869 1.00 0.00 C ATOM 1043 CG GLN A 67 3.640 1.880 -15.272 1.00 0.00 C ATOM 1044 CD GLN A 67 3.273 0.405 -15.284 1.00 0.00 C ATOM 1045 OE1 GLN A 67 4.146 -0.465 -15.345 1.00 0.00 O ATOM 1046 NE2 GLN A 67 1.983 0.119 -15.242 1.00 0.00 N ATOM 0 H GLN A 67 3.364 0.732 -12.137 1.00 0.00 H new ATOM 0 HA GLN A 67 5.592 1.168 -13.796 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.931 2.372 -13.310 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.124 3.489 -13.942 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.846 2.449 -15.757 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.544 2.027 -15.863 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.295 0.871 -15.192 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.675 -0.853 -15.260 1.00 0.00 H new ATOM 1055 N SER A 68 5.472 3.013 -11.103 1.00 0.00 N ATOM 1056 CA SER A 68 6.269 3.916 -10.285 1.00 0.00 C ATOM 1057 C SER A 68 7.624 3.285 -9.963 1.00 0.00 C ATOM 1058 O SER A 68 8.651 3.965 -9.949 1.00 0.00 O ATOM 1059 CB SER A 68 5.518 4.276 -9.002 1.00 0.00 C ATOM 1060 OG SER A 68 4.265 4.873 -9.300 1.00 0.00 O ATOM 0 H SER A 68 4.636 2.651 -10.645 1.00 0.00 H new ATOM 0 HA SER A 68 6.444 4.834 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.365 3.379 -8.402 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.119 4.961 -8.404 1.00 0.00 H new ATOM 0 HG SER A 68 3.599 4.172 -9.461 1.00 0.00 H new ATOM 1066 N VAL A 69 7.624 1.976 -9.727 1.00 0.00 N ATOM 1067 CA VAL A 69 8.864 1.239 -9.514 1.00 0.00 C ATOM 1068 C VAL A 69 9.631 1.115 -10.828 1.00 0.00 C ATOM 1069 O VAL A 69 10.851 1.264 -10.859 1.00 0.00 O ATOM 1070 CB VAL A 69 8.604 -0.173 -8.937 1.00 0.00 C ATOM 1071 CG1 VAL A 69 9.912 -0.923 -8.719 1.00 0.00 C ATOM 1072 CG2 VAL A 69 7.818 -0.078 -7.639 1.00 0.00 C ATOM 0 H VAL A 69 6.780 1.405 -9.679 1.00 0.00 H new ATOM 0 HA VAL A 69 9.455 1.798 -8.788 1.00 0.00 H new ATOM 0 HB VAL A 69 8.013 -0.733 -9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.701 -1.912 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.436 -1.025 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.537 -0.369 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.643 -1.079 -7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.385 0.504 -6.912 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.862 0.410 -7.828 1.00 0.00 H new ATOM 1082 N LYS A 70 8.906 0.863 -11.917 1.00 0.00 N ATOM 1083 CA LYS A 70 9.514 0.770 -13.242 1.00 0.00 C ATOM 1084 C LYS A 70 10.149 2.093 -13.648 1.00 0.00 C ATOM 1085 O LYS A 70 11.099 2.113 -14.425 1.00 0.00 O ATOM 1086 CB LYS A 70 8.488 0.347 -14.297 1.00 0.00 C ATOM 1087 CG LYS A 70 8.061 -1.105 -14.194 1.00 0.00 C ATOM 1088 CD LYS A 70 7.207 -1.512 -15.382 1.00 0.00 C ATOM 1089 CE LYS A 70 6.845 -2.990 -15.336 1.00 0.00 C ATOM 1090 NZ LYS A 70 5.973 -3.324 -14.181 1.00 0.00 N ATOM 0 H LYS A 70 7.896 0.720 -11.907 1.00 0.00 H new ATOM 0 HA LYS A 70 10.291 0.008 -13.186 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.606 0.982 -14.207 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.907 0.523 -15.288 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.943 -1.743 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.501 -1.258 -13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.295 -0.914 -15.396 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.744 -1.297 -16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.339 -3.266 -16.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.758 -3.583 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.672 -4.317 -14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.500 -3.182 -13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.136 -2.707 -14.188 1.00 0.00 H new ATOM 1392 N SER B 8 2.283 -11.352 15.706 1.00 0.00 N ATOM 1393 CA SER B 8 0.985 -11.401 16.361 1.00 0.00 C ATOM 1394 C SER B 8 -0.050 -10.590 15.589 1.00 0.00 C ATOM 1395 O SER B 8 0.245 -9.498 15.093 1.00 0.00 O ATOM 1396 CB SER B 8 1.116 -10.859 17.783 1.00 0.00 C ATOM 1397 OG SER B 8 2.278 -11.378 18.405 1.00 0.00 O ATOM 0 HA SER B 8 0.648 -12.437 16.390 1.00 0.00 H new ATOM 0 HB2 SER B 8 1.163 -9.770 17.761 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.234 -11.128 18.364 1.00 0.00 H new ATOM 0 HG SER B 8 2.893 -11.714 17.720 1.00 0.00 H new ATOM 1403 N ASN B 9 -1.259 -11.131 15.498 1.00 0.00 N ATOM 1404 CA ASN B 9 -2.348 -10.480 14.782 1.00 0.00 C ATOM 1405 C ASN B 9 -2.647 -9.113 15.385 1.00 0.00 C ATOM 1406 O ASN B 9 -2.760 -8.121 14.666 1.00 0.00 O ATOM 1407 CB ASN B 9 -3.606 -11.359 14.806 1.00 0.00 C ATOM 1408 CG ASN B 9 -4.807 -10.682 14.167 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -5.581 -10.002 14.838 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -4.975 -10.871 12.866 1.00 0.00 N ATOM 0 H ASN B 9 -1.511 -12.027 15.915 1.00 0.00 H new ATOM 0 HA ASN B 9 -2.040 -10.340 13.746 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -3.401 -12.294 14.284 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -3.845 -11.616 15.838 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -5.769 -10.445 12.387 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -4.311 -11.442 12.344 1.00 0.00 H new ATOM 1417 N THR B 10 -2.740 -9.067 16.710 1.00 0.00 N ATOM 1418 CA THR B 10 -3.029 -7.831 17.421 1.00 0.00 C ATOM 1419 C THR B 10 -1.941 -6.785 17.176 1.00 0.00 C ATOM 1420 O THR B 10 -2.210 -5.584 17.156 1.00 0.00 O ATOM 1421 CB THR B 10 -3.157 -8.102 18.928 1.00 0.00 C ATOM 1422 OG1 THR B 10 -3.123 -9.521 19.160 1.00 0.00 O ATOM 1423 CG2 THR B 10 -4.458 -7.525 19.471 1.00 0.00 C ATOM 0 H THR B 10 -2.618 -9.879 17.315 1.00 0.00 H new ATOM 0 HA THR B 10 -3.973 -7.441 17.042 1.00 0.00 H new ATOM 0 HB THR B 10 -2.325 -7.622 19.443 1.00 0.00 H new ATOM 0 HG1 THR B 10 -3.203 -9.697 20.121 1.00 0.00 H new ATOM 0 HG21 THR B 10 -4.528 -7.728 20.540 1.00 0.00 H new ATOM 0 HG22 THR B 10 -4.476 -6.448 19.305 1.00 0.00 H new ATOM 0 HG23 THR B 10 -5.302 -7.985 18.958 1.00 0.00 H new ATOM 1431 N GLN B 11 -0.715 -7.255 16.970 1.00 0.00 N ATOM 1432 CA GLN B 11 0.409 -6.373 16.682 1.00 0.00 C ATOM 1433 C GLN B 11 0.210 -5.698 15.333 1.00 0.00 C ATOM 1434 O GLN B 11 0.198 -4.473 15.239 1.00 0.00 O ATOM 1435 CB GLN B 11 1.720 -7.166 16.684 1.00 0.00 C ATOM 1436 CG GLN B 11 2.947 -6.332 16.345 1.00 0.00 C ATOM 1437 CD GLN B 11 4.198 -7.177 16.188 1.00 0.00 C ATOM 1438 OE1 GLN B 11 4.031 -8.405 15.719 1.00 0.00 O flip ATOM 1439 NE2 GLN B 11 5.306 -6.730 16.477 1.00 0.00 N flip ATOM 0 H GLN B 11 -0.475 -8.246 16.997 1.00 0.00 H new ATOM 0 HA GLN B 11 0.461 -5.608 17.457 1.00 0.00 H new ATOM 0 HB2 GLN B 11 1.859 -7.616 17.667 1.00 0.00 H new ATOM 0 HB3 GLN B 11 1.640 -7.984 15.968 1.00 0.00 H new ATOM 0 HG2 GLN B 11 2.765 -5.783 15.421 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.108 -5.592 17.129 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.395 -5.779 16.836 1.00 0.00 H new ATOM 0 HE22 GLN B 11 6.137 -7.310 16.358 1.00 0.00 H new ATOM 1448 N VAL B 12 0.027 -6.511 14.297 1.00 0.00 N ATOM 1449 CA VAL B 12 -0.152 -6.002 12.944 1.00 0.00 C ATOM 1450 C VAL B 12 -1.386 -5.110 12.865 1.00 0.00 C ATOM 1451 O VAL B 12 -1.340 -4.028 12.282 1.00 0.00 O ATOM 1452 CB VAL B 12 -0.272 -7.153 11.919 1.00 0.00 C ATOM 1453 CG1 VAL B 12 -0.400 -6.610 10.502 1.00 0.00 C ATOM 1454 CG2 VAL B 12 0.924 -8.090 12.023 1.00 0.00 C ATOM 0 H VAL B 12 -0.001 -7.528 14.371 1.00 0.00 H new ATOM 0 HA VAL B 12 0.731 -5.414 12.697 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.176 -7.717 12.150 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.483 -7.440 9.800 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.290 -5.985 10.431 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.481 -6.016 10.259 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.821 -8.894 11.294 1.00 0.00 H new ATOM 0 HG22 VAL B 12 1.840 -7.534 11.824 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.968 -8.514 13.026 1.00 0.00 H new ATOM 1464 N GLU B 13 -2.475 -5.559 13.484 1.00 0.00 N ATOM 1465 CA GLU B 13 -3.717 -4.796 13.515 1.00 0.00 C ATOM 1466 C GLU B 13 -3.496 -3.427 14.160 1.00 0.00 C ATOM 1467 O GLU B 13 -3.976 -2.411 13.657 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.792 -5.576 14.279 1.00 0.00 C ATOM 1469 CG GLU B 13 -6.136 -4.870 14.359 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.772 -4.635 13.001 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -7.105 -5.623 12.310 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.979 -3.461 12.633 1.00 0.00 O ATOM 0 H GLU B 13 -2.521 -6.453 13.973 1.00 0.00 H new ATOM 0 HA GLU B 13 -4.053 -4.640 12.490 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.931 -6.545 13.800 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.435 -5.769 15.291 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -6.814 -5.463 14.972 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.006 -3.912 14.862 1.00 0.00 H new ATOM 1479 N SER B 14 -2.748 -3.400 15.260 1.00 0.00 N ATOM 1480 CA SER B 14 -2.466 -2.154 15.956 1.00 0.00 C ATOM 1481 C SER B 14 -1.678 -1.207 15.055 1.00 0.00 C ATOM 1482 O SER B 14 -1.915 0.002 15.050 1.00 0.00 O ATOM 1483 CB SER B 14 -1.694 -2.422 17.247 1.00 0.00 C ATOM 1484 OG SER B 14 -1.466 -1.223 17.968 1.00 0.00 O ATOM 0 H SER B 14 -2.328 -4.227 15.686 1.00 0.00 H new ATOM 0 HA SER B 14 -3.415 -1.682 16.212 1.00 0.00 H new ATOM 0 HB2 SER B 14 -2.252 -3.122 17.868 1.00 0.00 H new ATOM 0 HB3 SER B 14 -0.740 -2.895 17.012 1.00 0.00 H new ATOM 0 HG SER B 14 -0.972 -1.424 18.790 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.737 -1.763 14.297 1.00 0.00 N ATOM 1491 CA LEU B 15 0.027 -0.974 13.342 1.00 0.00 C ATOM 1492 C LEU B 15 -0.891 -0.418 12.264 1.00 0.00 C ATOM 1493 O LEU B 15 -0.862 0.777 11.980 1.00 0.00 O ATOM 1494 CB LEU B 15 1.150 -1.803 12.709 1.00 0.00 C ATOM 1495 CG LEU B 15 2.496 -1.759 13.442 1.00 0.00 C ATOM 1496 CD1 LEU B 15 2.389 -2.352 14.837 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.564 -2.481 12.637 1.00 0.00 C ATOM 0 H LEU B 15 -0.488 -2.752 14.327 1.00 0.00 H new ATOM 0 HA LEU B 15 0.485 -0.144 13.880 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.822 -2.841 12.649 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.301 -1.457 11.687 1.00 0.00 H new ATOM 0 HG LEU B 15 2.783 -0.713 13.547 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.361 -2.305 15.328 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.661 -1.786 15.418 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.068 -3.391 14.767 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.513 -2.440 13.172 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.272 -3.522 12.496 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.674 -2.000 11.665 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.714 -1.289 11.690 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.664 -0.896 10.652 1.00 0.00 C ATOM 1511 C ILE B 16 -3.552 0.245 11.132 1.00 0.00 C ATOM 1512 O ILE B 16 -3.710 1.256 10.443 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.556 -2.085 10.225 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.702 -3.229 9.679 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -4.587 -1.651 9.191 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -1.760 -2.811 8.576 1.00 0.00 C ATOM 0 H ILE B 16 -1.743 -2.280 11.928 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.080 -0.565 9.793 1.00 0.00 H new ATOM 0 HB ILE B 16 -4.089 -2.439 11.107 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -2.123 -3.660 10.496 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -3.359 -4.015 9.305 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -5.201 -2.506 8.908 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.222 -0.873 9.615 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -4.077 -1.263 8.309 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.188 -3.675 8.239 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -2.333 -2.408 7.741 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -1.078 -2.048 8.950 1.00 0.00 H new ATOM 1528 N ALA B 17 -4.108 0.075 12.327 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.999 1.062 12.918 1.00 0.00 C ATOM 1530 C ALA B 17 -4.346 2.440 12.976 1.00 0.00 C ATOM 1531 O ALA B 17 -4.934 3.424 12.536 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.426 0.623 14.311 1.00 0.00 C ATOM 0 H ALA B 17 -3.953 -0.748 12.910 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.881 1.136 12.282 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.092 1.371 14.740 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.947 -0.333 14.248 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.545 0.515 14.944 1.00 0.00 H new ATOM 1538 N GLU B 18 -3.117 2.500 13.484 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.445 3.781 13.689 1.00 0.00 C ATOM 1540 C GLU B 18 -2.156 4.493 12.376 1.00 0.00 C ATOM 1541 O GLU B 18 -2.206 5.720 12.312 1.00 0.00 O ATOM 1542 CB GLU B 18 -1.146 3.605 14.467 1.00 0.00 C ATOM 1543 CG GLU B 18 -1.358 3.288 15.935 1.00 0.00 C ATOM 1544 CD GLU B 18 -0.098 3.479 16.745 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.701 2.527 16.851 1.00 0.00 O ATOM 1546 OE2 GLU B 18 0.109 4.596 17.267 1.00 0.00 O ATOM 0 H GLU B 18 -2.570 1.684 13.759 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.131 4.398 14.270 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.564 2.804 14.011 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.555 4.517 14.382 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.145 3.928 16.334 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.702 2.259 16.037 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.862 3.731 11.335 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.568 4.319 10.035 1.00 0.00 C ATOM 1555 C ILE B 19 -2.842 4.920 9.439 1.00 0.00 C ATOM 1556 O ILE B 19 -2.824 6.000 8.835 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.969 3.278 9.064 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.124 2.465 9.759 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.387 3.976 7.847 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.640 1.303 8.938 1.00 0.00 C ATOM 0 H ILE B 19 -1.820 2.712 11.362 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.826 5.104 10.179 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.765 2.603 8.748 1.00 0.00 H new ATOM 0 HG12 ILE B 19 0.957 3.126 9.999 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.265 2.085 10.704 1.00 0.00 H new ATOM 0 HG21 ILE B 19 0.033 3.234 7.168 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.173 4.532 7.336 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.397 4.664 8.163 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.412 0.776 9.499 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.180 0.619 8.719 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.060 1.676 8.004 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.955 4.227 9.649 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.260 4.721 9.229 1.00 0.00 C ATOM 1574 C LEU B 20 -5.642 5.941 10.061 1.00 0.00 C ATOM 1575 O LEU B 20 -6.300 6.860 9.571 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.319 3.624 9.377 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.044 2.338 8.590 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.123 1.302 8.866 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -5.951 2.628 7.101 1.00 0.00 C ATOM 0 H LEU B 20 -3.979 3.317 10.110 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.208 5.009 8.179 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.411 3.371 10.433 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.281 4.026 9.060 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.087 1.934 8.919 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.911 0.396 8.299 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -7.139 1.068 9.931 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.093 1.699 8.567 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.755 1.701 6.561 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.891 3.058 6.755 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.140 3.333 6.918 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.214 5.944 11.322 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.425 7.085 12.203 1.00 0.00 C ATOM 1593 C VAL B 21 -4.733 8.321 11.642 1.00 0.00 C ATOM 1594 O VAL B 21 -5.260 9.423 11.734 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.920 6.809 13.641 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -4.925 8.081 14.478 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.774 5.742 14.310 1.00 0.00 C ATOM 0 H VAL B 21 -4.718 5.165 11.755 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.500 7.259 12.255 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.894 6.449 13.571 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.566 7.857 15.482 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.273 8.823 14.017 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -5.940 8.475 14.535 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.405 5.561 15.319 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.809 6.081 14.357 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.721 4.819 13.733 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.559 8.130 11.050 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.840 9.226 10.412 1.00 0.00 C ATOM 1609 C VAL B 22 -3.686 9.833 9.302 1.00 0.00 C ATOM 1610 O VAL B 22 -3.921 11.045 9.278 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.492 8.766 9.822 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.774 9.926 9.147 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.622 8.160 10.904 1.00 0.00 C ATOM 0 H VAL B 22 -3.086 7.228 10.999 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.640 9.970 11.183 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.690 8.004 9.068 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.175 9.578 8.738 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.394 10.319 8.341 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.587 10.713 9.878 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.326 7.840 10.472 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.435 8.903 11.679 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.130 7.300 11.341 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.137 8.980 8.392 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.033 9.401 7.315 1.00 0.00 C ATOM 1625 C LEU B 23 -6.233 10.180 7.860 1.00 0.00 C ATOM 1626 O LEU B 23 -6.513 11.296 7.419 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.523 8.181 6.535 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.432 7.368 5.843 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -5.028 6.142 5.176 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.700 8.228 4.826 1.00 0.00 C ATOM 0 H LEU B 23 -3.898 7.989 8.376 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.472 10.059 6.651 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.063 7.526 7.219 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.237 8.514 5.782 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.715 7.035 6.594 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.237 5.573 4.687 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.512 5.518 5.927 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.763 6.453 4.434 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.925 7.636 4.340 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.406 8.586 4.077 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.243 9.079 5.331 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.919 9.595 8.837 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.120 10.197 9.412 1.00 0.00 C ATOM 1644 C GLU B 24 -7.792 11.509 10.133 1.00 0.00 C ATOM 1645 O GLU B 24 -8.550 12.476 10.062 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.784 9.216 10.384 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.125 9.693 10.924 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.713 8.751 11.956 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.435 7.805 11.570 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -10.475 8.965 13.163 1.00 0.00 O ATOM 0 H GLU B 24 -6.662 8.698 9.250 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.809 10.421 8.598 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.926 8.260 9.879 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -8.109 9.037 11.221 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -10.002 10.680 11.369 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.826 9.802 10.097 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.648 11.539 10.802 1.00 0.00 N ATOM 1658 CA LYS B 25 -6.229 12.704 11.577 1.00 0.00 C ATOM 1659 C LYS B 25 -5.914 13.885 10.662 1.00 0.00 C ATOM 1660 O LYS B 25 -5.953 15.037 11.084 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.002 12.350 12.428 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.593 13.427 13.425 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.424 12.976 14.289 1.00 0.00 C ATOM 1664 CE LYS B 25 -3.755 11.709 15.067 1.00 0.00 C ATOM 1665 NZ LYS B 25 -4.927 11.894 15.963 1.00 0.00 N ATOM 0 H LYS B 25 -5.986 10.763 10.825 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.049 12.995 12.233 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.207 11.428 12.972 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -4.161 12.149 11.764 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -4.320 14.336 12.888 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.442 13.676 14.062 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.553 12.799 13.659 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.158 13.771 14.985 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.958 10.897 14.368 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.890 11.411 15.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.025 11.064 16.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -4.789 12.745 16.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -5.788 12.002 15.390 1.00 0.00 H new ATOM 1679 N HIS B 26 -5.605 13.597 9.407 1.00 0.00 N ATOM 1680 CA HIS B 26 -5.310 14.651 8.447 1.00 0.00 C ATOM 1681 C HIS B 26 -6.466 14.829 7.475 1.00 0.00 C ATOM 1682 O HIS B 26 -6.359 15.592 6.511 1.00 0.00 O ATOM 1683 CB HIS B 26 -4.018 14.358 7.680 1.00 0.00 C ATOM 1684 CG HIS B 26 -2.789 14.425 8.531 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.146 13.460 9.221 1.00 0.00 N flip ATOM 1686 CD2 HIS B 26 -2.092 15.589 8.766 1.00 0.00 C flip ATOM 1687 CE1 HIS B 26 -1.087 14.047 9.861 1.00 0.00 C flip ATOM 1688 NE2 HIS B 26 -1.075 15.335 9.568 1.00 0.00 N flip ATOM 0 H HIS B 26 -5.552 12.650 9.031 1.00 0.00 H new ATOM 0 HA HIS B 26 -5.172 15.577 9.005 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -4.087 13.366 7.233 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.922 15.070 6.861 1.00 0.00 H new ATOM 0 HD1 HIS B 26 -2.402 12.473 9.259 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.339 16.558 8.358 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.379 13.540 10.500 1.00 0.00 H new ATOM 1697 N LYS B 27 -7.564 14.118 7.739 1.00 0.00 N ATOM 1698 CA LYS B 27 -8.778 14.208 6.926 1.00 0.00 C ATOM 1699 C LYS B 27 -8.489 13.898 5.464 1.00 0.00 C ATOM 1700 O LYS B 27 -8.945 14.604 4.565 1.00 0.00 O ATOM 1701 CB LYS B 27 -9.406 15.597 7.048 1.00 0.00 C ATOM 1702 CG LYS B 27 -9.808 15.963 8.463 1.00 0.00 C ATOM 1703 CD LYS B 27 -10.442 17.339 8.510 1.00 0.00 C ATOM 1704 CE LYS B 27 -10.839 17.719 9.923 1.00 0.00 C ATOM 1705 NZ LYS B 27 -11.482 19.056 9.971 1.00 0.00 N ATOM 0 H LYS B 27 -7.637 13.466 8.520 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.481 13.465 7.302 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -8.699 16.339 6.677 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.285 15.646 6.406 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.509 15.223 8.849 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -8.932 15.940 9.111 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -9.743 18.077 8.116 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.321 17.358 7.866 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -11.524 16.971 10.322 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -9.956 17.716 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -11.740 19.282 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -10.819 19.773 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -12.338 19.051 9.381 1.00 0.00 H new ATOM 1719 N ALA B 28 -7.727 12.845 5.234 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.383 12.439 3.884 1.00 0.00 C ATOM 1721 C ALA B 28 -8.485 11.567 3.293 1.00 0.00 C ATOM 1722 O ALA B 28 -8.816 10.519 3.849 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.053 11.698 3.876 1.00 0.00 C ATOM 0 H ALA B 28 -7.334 12.254 5.966 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.284 13.332 3.268 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -5.809 11.400 2.856 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.270 12.352 4.260 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.127 10.811 4.505 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.081 12.000 2.171 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.110 11.222 1.470 1.00 0.00 C ATOM 1731 C PRO B 29 -9.549 9.907 0.929 1.00 0.00 C ATOM 1732 O PRO B 29 -8.335 9.692 0.945 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.539 12.140 0.320 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.405 13.088 0.139 1.00 0.00 C ATOM 1735 CD PRO B 29 -8.811 13.285 1.502 1.00 0.00 C ATOM 0 HA PRO B 29 -10.934 10.941 2.126 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.726 11.571 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.461 12.669 0.561 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.666 12.685 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.750 14.035 -0.277 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.743 13.496 1.450 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.276 14.119 2.028 1.00 0.00 H new ATOM 1743 N THR B 30 -10.426 9.041 0.437 1.00 0.00 N ATOM 1744 CA THR B 30 -10.018 7.734 -0.064 1.00 0.00 C ATOM 1745 C THR B 30 -8.988 7.877 -1.188 1.00 0.00 C ATOM 1746 O THR B 30 -8.025 7.109 -1.264 1.00 0.00 O ATOM 1747 CB THR B 30 -11.244 6.942 -0.563 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.289 7.021 0.416 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.893 5.479 -0.803 1.00 0.00 C ATOM 0 H THR B 30 -11.428 9.221 0.374 1.00 0.00 H new ATOM 0 HA THR B 30 -9.556 7.186 0.757 1.00 0.00 H new ATOM 0 HB THR B 30 -11.574 7.377 -1.506 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.070 6.520 0.101 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.776 4.946 -1.154 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.106 5.412 -1.554 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.545 5.031 0.128 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.182 8.885 -2.033 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.248 9.182 -3.121 1.00 0.00 C ATOM 1759 C ASP B 31 -6.856 9.489 -2.573 1.00 0.00 C ATOM 1760 O ASP B 31 -5.867 8.873 -2.973 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.762 10.379 -3.929 1.00 0.00 C ATOM 1762 CG ASP B 31 -7.855 10.765 -5.089 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -6.880 11.510 -4.871 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -8.139 10.354 -6.235 1.00 0.00 O ATOM 0 H ASP B 31 -9.982 9.515 -1.987 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.179 8.307 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.754 10.147 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.872 11.236 -3.264 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.794 10.428 -1.632 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.522 10.870 -1.067 1.00 0.00 C ATOM 1771 C LEU B 32 -4.901 9.770 -0.211 1.00 0.00 C ATOM 1772 O LEU B 32 -3.678 9.663 -0.115 1.00 0.00 O ATOM 1773 CB LEU B 32 -5.720 12.150 -0.243 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.436 12.811 0.272 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.475 13.088 -0.876 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -4.763 14.099 1.009 1.00 0.00 C ATOM 0 H LEU B 32 -7.612 10.898 -1.244 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.838 11.089 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.260 12.874 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.355 11.916 0.611 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.952 12.124 0.966 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.571 13.557 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.215 12.150 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.950 13.755 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.841 14.556 1.369 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.270 14.787 0.332 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.413 13.879 1.856 1.00 0.00 H new ATOM 1788 N SER B 33 -5.750 8.951 0.403 1.00 0.00 N ATOM 1789 CA SER B 33 -5.281 7.825 1.199 1.00 0.00 C ATOM 1790 C SER B 33 -4.508 6.838 0.329 1.00 0.00 C ATOM 1791 O SER B 33 -3.365 6.496 0.632 1.00 0.00 O ATOM 1792 CB SER B 33 -6.458 7.121 1.877 1.00 0.00 C ATOM 1793 OG SER B 33 -7.133 7.998 2.759 1.00 0.00 O ATOM 0 H SER B 33 -6.765 9.047 0.364 1.00 0.00 H new ATOM 0 HA SER B 33 -4.612 8.207 1.970 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.152 6.755 1.121 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.098 6.252 2.427 1.00 0.00 H new ATOM 0 HG SER B 33 -7.604 8.684 2.241 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.129 6.403 -0.765 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.489 5.480 -1.697 1.00 0.00 C ATOM 1801 C LEU B 34 -3.225 6.100 -2.280 1.00 0.00 C ATOM 1802 O LEU B 34 -2.211 5.425 -2.453 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.450 5.107 -2.829 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.713 4.358 -2.398 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.675 4.232 -3.566 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.364 2.979 -1.854 1.00 0.00 C ATOM 0 H LEU B 34 -6.076 6.676 -1.027 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.220 4.577 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.748 6.020 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.913 4.493 -3.551 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.195 4.929 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.569 3.697 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.953 5.226 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.194 3.683 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.277 2.465 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.859 2.400 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.706 3.084 -0.991 1.00 0.00 H new ATOM 1818 N MET B 35 -3.303 7.393 -2.566 1.00 0.00 N ATOM 1819 CA MET B 35 -2.187 8.138 -3.133 1.00 0.00 C ATOM 1820 C MET B 35 -0.983 8.115 -2.191 1.00 0.00 C ATOM 1821 O MET B 35 0.126 7.763 -2.590 1.00 0.00 O ATOM 1822 CB MET B 35 -2.614 9.587 -3.394 1.00 0.00 C ATOM 1823 CG MET B 35 -1.676 10.354 -4.313 1.00 0.00 C ATOM 1824 SD MET B 35 -1.728 9.760 -6.015 1.00 0.00 S ATOM 1825 CE MET B 35 -3.471 9.955 -6.379 1.00 0.00 C ATOM 0 H MET B 35 -4.141 7.954 -2.412 1.00 0.00 H new ATOM 0 HA MET B 35 -1.898 7.667 -4.072 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.613 9.587 -3.830 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.682 10.112 -2.441 1.00 0.00 H new ATOM 0 HG2 MET B 35 -1.939 11.412 -4.294 1.00 0.00 H new ATOM 0 HG3 MET B 35 -0.657 10.272 -3.935 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.599 10.173 -7.439 1.00 0.00 H new ATOM 0 HE2 MET B 35 -4.000 9.035 -6.131 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.876 10.777 -5.788 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.216 8.478 -0.936 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.147 8.563 0.053 1.00 0.00 C ATOM 1837 C ALA B 36 0.426 7.188 0.384 1.00 0.00 C ATOM 1838 O ALA B 36 1.646 7.007 0.413 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.652 9.238 1.319 1.00 0.00 C ATOM 0 H ALA B 36 -2.140 8.719 -0.577 1.00 0.00 H new ATOM 0 HA ALA B 36 0.654 9.162 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA B 36 0.156 9.295 2.048 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -0.998 10.244 1.082 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.477 8.660 1.736 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.453 6.226 0.633 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.030 4.874 0.982 1.00 0.00 C ATOM 1847 C LEU B 37 0.736 4.227 -0.166 1.00 0.00 C ATOM 1848 O LEU B 37 1.698 3.493 0.058 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.235 4.008 1.373 1.00 0.00 C ATOM 1850 CG LEU B 37 -1.658 4.078 2.850 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -0.560 3.537 3.749 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.009 5.498 3.252 1.00 0.00 C ATOM 0 H LEU B 37 -1.464 6.356 0.600 1.00 0.00 H new ATOM 0 HA LEU B 37 0.637 4.946 1.841 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.085 4.302 0.757 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.008 2.970 1.128 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.547 3.459 2.970 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.880 3.596 4.789 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.357 2.498 3.490 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.345 4.129 3.614 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.304 5.517 4.301 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.142 6.142 3.108 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.834 5.857 2.637 1.00 0.00 H new ATOM 1864 N GLY B 38 0.311 4.513 -1.392 1.00 0.00 N ATOM 1865 CA GLY B 38 0.999 3.993 -2.556 1.00 0.00 C ATOM 1866 C GLY B 38 2.432 4.472 -2.631 1.00 0.00 C ATOM 1867 O GLY B 38 3.354 3.669 -2.753 1.00 0.00 O ATOM 0 H GLY B 38 -0.499 5.097 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.982 2.903 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.467 4.298 -3.457 1.00 0.00 H new ATOM 1871 N ASN B 39 2.618 5.784 -2.524 1.00 0.00 N ATOM 1872 CA ASN B 39 3.951 6.378 -2.580 1.00 0.00 C ATOM 1873 C ASN B 39 4.816 5.887 -1.427 1.00 0.00 C ATOM 1874 O ASN B 39 6.034 5.775 -1.557 1.00 0.00 O ATOM 1875 CB ASN B 39 3.869 7.902 -2.536 1.00 0.00 C ATOM 1876 CG ASN B 39 3.214 8.494 -3.768 1.00 0.00 C ATOM 1877 OD1 ASN B 39 3.305 7.940 -4.865 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.548 9.626 -3.592 1.00 0.00 N ATOM 0 H ASN B 39 1.862 6.457 -2.398 1.00 0.00 H new ATOM 0 HA ASN B 39 4.406 6.071 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.308 8.205 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.874 8.312 -2.433 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.085 10.073 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN B 39 2.499 10.050 -2.666 1.00 0.00 H new ATOM 1885 N CYS B 40 4.178 5.600 -0.297 1.00 0.00 N ATOM 1886 CA CYS B 40 4.884 5.092 0.872 1.00 0.00 C ATOM 1887 C CYS B 40 5.544 3.751 0.560 1.00 0.00 C ATOM 1888 O CYS B 40 6.715 3.542 0.879 1.00 0.00 O ATOM 1889 CB CYS B 40 3.925 4.948 2.059 1.00 0.00 C ATOM 1890 SG CYS B 40 4.702 4.334 3.572 1.00 0.00 S ATOM 0 H CYS B 40 3.172 5.711 -0.167 1.00 0.00 H new ATOM 0 HA CYS B 40 5.662 5.808 1.138 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.472 5.918 2.265 1.00 0.00 H new ATOM 0 HB3 CYS B 40 3.117 4.272 1.779 1.00 0.00 H new ATOM 0 HG CYS B 40 3.810 4.250 4.514 1.00 0.00 H new ATOM 1896 N VAL B 41 4.793 2.857 -0.079 1.00 0.00 N ATOM 1897 CA VAL B 41 5.305 1.536 -0.436 1.00 0.00 C ATOM 1898 C VAL B 41 6.496 1.656 -1.383 1.00 0.00 C ATOM 1899 O VAL B 41 7.556 1.065 -1.146 1.00 0.00 O ATOM 1900 CB VAL B 41 4.224 0.665 -1.115 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.766 -0.721 -1.425 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.980 0.570 -0.247 1.00 0.00 C ATOM 0 H VAL B 41 3.827 3.024 -0.360 1.00 0.00 H new ATOM 0 HA VAL B 41 5.613 1.058 0.494 1.00 0.00 H new ATOM 0 HB VAL B 41 3.947 1.143 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.989 -1.317 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.621 -0.636 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL B 41 5.078 -1.205 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL B 41 2.234 -0.048 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL B 41 3.239 0.122 0.712 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.573 1.568 -0.083 1.00 0.00 H new ATOM 1912 N THR B 42 6.318 2.432 -2.446 1.00 0.00 N ATOM 1913 CA THR B 42 7.357 2.620 -3.446 1.00 0.00 C ATOM 1914 C THR B 42 8.618 3.217 -2.821 1.00 0.00 C ATOM 1915 O THR B 42 9.735 2.835 -3.169 1.00 0.00 O ATOM 1916 CB THR B 42 6.860 3.540 -4.577 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.439 3.424 -4.701 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.505 3.163 -5.901 1.00 0.00 C ATOM 0 H THR B 42 5.456 2.944 -2.636 1.00 0.00 H new ATOM 0 HA THR B 42 7.599 1.641 -3.859 1.00 0.00 H new ATOM 0 HB THR B 42 7.132 4.566 -4.330 1.00 0.00 H new ATOM 0 HG1 THR B 42 5.124 4.011 -5.420 1.00 0.00 H new ATOM 0 HG21 THR B 42 7.140 3.826 -6.685 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.588 3.260 -5.819 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.251 2.132 -6.149 1.00 0.00 H new ATOM 1926 N HIS B 43 8.427 4.138 -1.880 1.00 0.00 N ATOM 1927 CA HIS B 43 9.538 4.814 -1.213 1.00 0.00 C ATOM 1928 C HIS B 43 10.339 3.840 -0.349 1.00 0.00 C ATOM 1929 O HIS B 43 11.564 3.939 -0.262 1.00 0.00 O ATOM 1930 CB HIS B 43 9.006 5.969 -0.355 1.00 0.00 C ATOM 1931 CG HIS B 43 10.075 6.806 0.281 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.874 7.667 -0.433 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.468 6.918 1.573 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.708 8.275 0.386 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.485 7.841 1.614 1.00 0.00 N ATOM 0 H HIS B 43 7.505 4.436 -1.560 1.00 0.00 H new ATOM 0 HA HIS B 43 10.205 5.211 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.380 6.610 -0.976 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.366 5.561 0.427 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.058 6.381 2.415 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.450 9.006 0.101 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.984 8.141 2.452 1.00 0.00 H new ATOM 1944 N LEU B 44 9.642 2.908 0.289 1.00 0.00 N ATOM 1945 CA LEU B 44 10.293 1.912 1.133 1.00 0.00 C ATOM 1946 C LEU B 44 11.147 0.977 0.288 1.00 0.00 C ATOM 1947 O LEU B 44 12.320 0.742 0.592 1.00 0.00 O ATOM 1948 CB LEU B 44 9.251 1.107 1.915 1.00 0.00 C ATOM 1949 CG LEU B 44 8.403 1.917 2.895 1.00 0.00 C ATOM 1950 CD1 LEU B 44 7.345 1.034 3.534 1.00 0.00 C ATOM 1951 CD2 LEU B 44 9.283 2.556 3.962 1.00 0.00 C ATOM 0 H LEU B 44 8.627 2.820 0.239 1.00 0.00 H new ATOM 0 HA LEU B 44 10.937 2.432 1.842 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.586 0.616 1.204 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.764 0.320 2.468 1.00 0.00 H new ATOM 0 HG LEU B 44 7.902 2.712 2.343 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.749 1.625 4.229 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.697 0.623 2.759 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.828 0.219 4.072 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.662 3.129 4.651 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.812 1.777 4.512 1.00 0.00 H new ATOM 0 HD23 LEU B 44 10.006 3.220 3.488 1.00 0.00 H new ATOM 1963 N LEU B 45 10.557 0.465 -0.785 1.00 0.00 N ATOM 1964 CA LEU B 45 11.260 -0.428 -1.698 1.00 0.00 C ATOM 1965 C LEU B 45 12.452 0.270 -2.337 1.00 0.00 C ATOM 1966 O LEU B 45 13.510 -0.332 -2.518 1.00 0.00 O ATOM 1967 CB LEU B 45 10.310 -0.911 -2.796 1.00 0.00 C ATOM 1968 CG LEU B 45 9.263 -1.933 -2.358 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.260 -2.178 -3.477 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.937 -3.234 -1.957 1.00 0.00 C ATOM 0 H LEU B 45 9.589 0.654 -1.045 1.00 0.00 H new ATOM 0 HA LEU B 45 11.621 -1.280 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.795 -0.046 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.904 -1.347 -3.600 1.00 0.00 H new ATOM 0 HG LEU B 45 8.727 -1.537 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.521 -2.909 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.760 -1.243 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.781 -2.558 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU B 45 9.181 -3.955 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.492 -3.633 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.623 -3.049 -1.130 1.00 0.00 H new ATOM 1982 N GLU B 46 12.270 1.544 -2.664 1.00 0.00 N ATOM 1983 CA GLU B 46 13.275 2.321 -3.380 1.00 0.00 C ATOM 1984 C GLU B 46 14.582 2.432 -2.595 1.00 0.00 C ATOM 1985 O GLU B 46 15.668 2.433 -3.176 1.00 0.00 O ATOM 1986 CB GLU B 46 12.724 3.715 -3.681 1.00 0.00 C ATOM 1987 CG GLU B 46 13.622 4.553 -4.568 1.00 0.00 C ATOM 1988 CD GLU B 46 13.120 5.972 -4.715 1.00 0.00 C ATOM 1989 OE1 GLU B 46 13.124 6.713 -3.708 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.725 6.358 -5.833 1.00 0.00 O ATOM 0 H GLU B 46 11.423 2.067 -2.441 1.00 0.00 H new ATOM 0 HA GLU B 46 13.499 1.800 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU B 46 11.750 3.614 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU B 46 12.564 4.243 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU B 46 14.629 4.567 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU B 46 13.691 4.090 -5.553 1.00 0.00 H new ATOM 1997 N ARG B 47 14.488 2.523 -1.279 1.00 0.00 N ATOM 1998 CA ARG B 47 15.680 2.704 -0.465 1.00 0.00 C ATOM 1999 C ARG B 47 16.231 1.366 0.032 1.00 0.00 C ATOM 2000 O ARG B 47 17.439 1.135 0.003 1.00 0.00 O ATOM 2001 CB ARG B 47 15.401 3.630 0.722 1.00 0.00 C ATOM 2002 CG ARG B 47 16.626 3.848 1.596 1.00 0.00 C ATOM 2003 CD ARG B 47 16.356 4.794 2.753 1.00 0.00 C ATOM 2004 NE ARG B 47 17.501 4.853 3.658 1.00 0.00 N ATOM 2005 CZ ARG B 47 17.544 5.568 4.780 1.00 0.00 C ATOM 2006 NH1 ARG B 47 16.533 6.367 5.108 1.00 0.00 N ATOM 2007 NH2 ARG B 47 18.610 5.496 5.565 1.00 0.00 N ATOM 0 H ARG B 47 13.613 2.476 -0.757 1.00 0.00 H new ATOM 0 HA ARG B 47 16.434 3.168 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG B 47 15.048 4.592 0.352 1.00 0.00 H new ATOM 0 HB3 ARG B 47 14.599 3.207 1.327 1.00 0.00 H new ATOM 0 HG2 ARG B 47 16.964 2.888 1.987 1.00 0.00 H new ATOM 0 HG3 ARG B 47 17.437 4.247 0.986 1.00 0.00 H new ATOM 0 HD2 ARG B 47 16.139 5.791 2.369 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.473 4.464 3.299 1.00 0.00 H new ATOM 0 HE ARG B 47 18.327 4.307 3.413 1.00 0.00 H new ATOM 0 HH11 ARG B 47 15.718 6.435 4.498 1.00 0.00 H new ATOM 0 HH12 ARG B 47 16.572 6.912 5.969 1.00 0.00 H new ATOM 0 HH21 ARG B 47 19.393 4.895 5.308 1.00 0.00 H new ATOM 0 HH22 ARG B 47 18.647 6.042 6.426 1.00 0.00 H new ATOM 2021 N LYS B 48 15.346 0.481 0.472 1.00 0.00 N ATOM 2022 CA LYS B 48 15.775 -0.754 1.119 1.00 0.00 C ATOM 2023 C LYS B 48 16.139 -1.853 0.125 1.00 0.00 C ATOM 2024 O LYS B 48 17.156 -2.523 0.286 1.00 0.00 O ATOM 2025 CB LYS B 48 14.696 -1.259 2.078 1.00 0.00 C ATOM 2026 CG LYS B 48 14.687 -0.535 3.414 1.00 0.00 C ATOM 2027 CD LYS B 48 16.023 -0.688 4.125 1.00 0.00 C ATOM 2028 CE LYS B 48 16.009 -0.065 5.510 1.00 0.00 C ATOM 2029 NZ LYS B 48 17.341 -0.156 6.159 1.00 0.00 N ATOM 0 H LYS B 48 14.335 0.593 0.394 1.00 0.00 H new ATOM 0 HA LYS B 48 16.680 -0.512 1.676 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.720 -1.147 1.606 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.845 -2.325 2.252 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.473 0.522 3.257 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.889 -0.932 4.042 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.270 -1.746 4.207 1.00 0.00 H new ATOM 0 HD3 LYS B 48 16.807 -0.223 3.527 1.00 0.00 H new ATOM 0 HE2 LYS B 48 15.709 0.980 5.437 1.00 0.00 H new ATOM 0 HE3 LYS B 48 15.266 -0.568 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 17.298 0.278 7.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 17.615 -1.155 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 18.044 0.345 5.580 1.00 0.00 H new ATOM 2043 N VAL B 49 15.330 -2.031 -0.904 1.00 0.00 N ATOM 2044 CA VAL B 49 15.480 -3.184 -1.781 1.00 0.00 C ATOM 2045 C VAL B 49 16.120 -2.790 -3.112 1.00 0.00 C ATOM 2046 O VAL B 49 15.694 -1.830 -3.740 1.00 0.00 O ATOM 2047 CB VAL B 49 14.111 -3.847 -2.043 1.00 0.00 C ATOM 2048 CG1 VAL B 49 14.278 -5.160 -2.782 1.00 0.00 C ATOM 2049 CG2 VAL B 49 13.357 -4.060 -0.738 1.00 0.00 C ATOM 0 H VAL B 49 14.569 -1.400 -1.154 1.00 0.00 H new ATOM 0 HA VAL B 49 16.135 -3.895 -1.278 1.00 0.00 H new ATOM 0 HB VAL B 49 13.526 -3.175 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL B 49 13.299 -5.607 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.768 -4.979 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.887 -5.839 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL B 49 12.395 -4.528 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.941 -4.706 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.195 -3.099 -0.250 1.00 0.00 H new ATOM 2059 N PRO B 50 17.163 -3.520 -3.547 1.00 0.00 N ATOM 2060 CA PRO B 50 17.816 -3.293 -4.850 1.00 0.00 C ATOM 2061 C PRO B 50 16.817 -3.326 -6.012 1.00 0.00 C ATOM 2062 O PRO B 50 15.838 -4.061 -5.962 1.00 0.00 O ATOM 2063 CB PRO B 50 18.806 -4.456 -4.955 1.00 0.00 C ATOM 2064 CG PRO B 50 19.089 -4.836 -3.544 1.00 0.00 C ATOM 2065 CD PRO B 50 17.804 -4.617 -2.800 1.00 0.00 C ATOM 0 HA PRO B 50 18.286 -2.311 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.380 -5.290 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.716 -4.156 -5.475 1.00 0.00 H new ATOM 0 HG2 PRO B 50 19.409 -5.876 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.891 -4.227 -3.128 1.00 0.00 H new ATOM 0 HD2 PRO B 50 17.185 -5.514 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.983 -4.345 -1.760 1.00 0.00 H new ATOM 2073 N SER B 51 17.100 -2.543 -7.054 1.00 0.00 N ATOM 2074 CA SER B 51 16.171 -2.302 -8.164 1.00 0.00 C ATOM 2075 C SER B 51 15.523 -3.575 -8.725 1.00 0.00 C ATOM 2076 O SER B 51 14.311 -3.604 -8.958 1.00 0.00 O ATOM 2077 CB SER B 51 16.901 -1.562 -9.284 1.00 0.00 C ATOM 2078 OG SER B 51 17.502 -0.374 -8.799 1.00 0.00 O ATOM 0 H SER B 51 17.989 -2.053 -7.154 1.00 0.00 H new ATOM 0 HA SER B 51 15.357 -1.700 -7.760 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.664 -2.210 -9.716 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.199 -1.319 -10.082 1.00 0.00 H new ATOM 0 HG SER B 51 17.965 0.082 -9.533 1.00 0.00 H new ATOM 2084 N GLU B 52 16.308 -4.627 -8.927 1.00 0.00 N ATOM 2085 CA GLU B 52 15.783 -5.852 -9.525 1.00 0.00 C ATOM 2086 C GLU B 52 14.824 -6.560 -8.571 1.00 0.00 C ATOM 2087 O GLU B 52 13.740 -6.989 -8.973 1.00 0.00 O ATOM 2088 CB GLU B 52 16.908 -6.808 -9.968 1.00 0.00 C ATOM 2089 CG GLU B 52 17.952 -7.109 -8.900 1.00 0.00 C ATOM 2090 CD GLU B 52 18.976 -6.004 -8.755 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.728 -5.057 -7.992 1.00 0.00 O ATOM 2092 OE2 GLU B 52 20.031 -6.070 -9.415 1.00 0.00 O ATOM 0 H GLU B 52 17.299 -4.659 -8.689 1.00 0.00 H new ATOM 0 HA GLU B 52 15.231 -5.559 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU B 52 16.460 -7.747 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.410 -6.378 -10.835 1.00 0.00 H new ATOM 0 HG2 GLU B 52 17.453 -7.264 -7.943 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.461 -8.040 -9.148 1.00 0.00 H new ATOM 2099 N SER B 53 15.207 -6.651 -7.306 1.00 0.00 N ATOM 2100 CA SER B 53 14.369 -7.286 -6.301 1.00 0.00 C ATOM 2101 C SER B 53 13.206 -6.363 -5.942 1.00 0.00 C ATOM 2102 O SER B 53 12.133 -6.818 -5.564 1.00 0.00 O ATOM 2103 CB SER B 53 15.204 -7.627 -5.061 1.00 0.00 C ATOM 2104 OG SER B 53 14.458 -8.375 -4.113 1.00 0.00 O ATOM 0 H SER B 53 16.094 -6.293 -6.951 1.00 0.00 H new ATOM 0 HA SER B 53 13.961 -8.214 -6.701 1.00 0.00 H new ATOM 0 HB2 SER B 53 16.085 -8.195 -5.361 1.00 0.00 H new ATOM 0 HB3 SER B 53 15.561 -6.707 -4.599 1.00 0.00 H new ATOM 0 HG SER B 53 15.022 -8.575 -3.337 1.00 0.00 H new ATOM 2110 N ARG B 54 13.444 -5.063 -6.078 1.00 0.00 N ATOM 2111 CA ARG B 54 12.435 -4.032 -5.867 1.00 0.00 C ATOM 2112 C ARG B 54 11.207 -4.314 -6.725 1.00 0.00 C ATOM 2113 O ARG B 54 10.073 -4.247 -6.252 1.00 0.00 O ATOM 2114 CB ARG B 54 13.046 -2.675 -6.231 1.00 0.00 C ATOM 2115 CG ARG B 54 12.268 -1.459 -5.765 1.00 0.00 C ATOM 2116 CD ARG B 54 13.061 -0.188 -6.036 1.00 0.00 C ATOM 2117 NE ARG B 54 14.406 -0.265 -5.465 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.391 0.599 -5.709 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.174 1.676 -6.442 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.592 0.386 -5.189 1.00 0.00 N ATOM 0 H ARG B 54 14.356 -4.691 -6.342 1.00 0.00 H new ATOM 0 HA ARG B 54 12.120 -4.025 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG B 54 14.050 -2.624 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.151 -2.623 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.308 -1.414 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG B 54 12.054 -1.542 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.130 -0.023 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.534 0.668 -5.615 1.00 0.00 H new ATOM 0 HE ARG B 54 14.605 -1.039 -4.832 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.246 1.852 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.934 2.331 -6.623 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.757 -0.435 -4.607 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.351 1.043 -5.372 1.00 0.00 H new ATOM 2134 N GLN B 55 11.452 -4.651 -7.988 1.00 0.00 N ATOM 2135 CA GLN B 55 10.382 -5.011 -8.907 1.00 0.00 C ATOM 2136 C GLN B 55 9.745 -6.337 -8.500 1.00 0.00 C ATOM 2137 O GLN B 55 8.529 -6.505 -8.582 1.00 0.00 O ATOM 2138 CB GLN B 55 10.914 -5.123 -10.338 1.00 0.00 C ATOM 2139 CG GLN B 55 11.538 -3.848 -10.873 1.00 0.00 C ATOM 2140 CD GLN B 55 11.961 -3.985 -12.321 1.00 0.00 C ATOM 2141 OE1 GLN B 55 11.184 -3.716 -13.233 1.00 0.00 O ATOM 2142 NE2 GLN B 55 13.198 -4.405 -12.542 1.00 0.00 N ATOM 0 H GLN B 55 12.386 -4.682 -8.397 1.00 0.00 H new ATOM 0 HA GLN B 55 9.629 -4.224 -8.865 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.656 -5.921 -10.376 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.096 -5.417 -10.995 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.825 -3.029 -10.780 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.405 -3.586 -10.266 1.00 0.00 H new ATOM 0 HE21 GLN B 55 13.812 -4.618 -11.756 1.00 0.00 H new ATOM 0 HE22 GLN B 55 13.536 -4.515 -13.498 1.00 0.00 H new ATOM 2151 N ALA B 56 10.575 -7.275 -8.058 1.00 0.00 N ATOM 2152 CA ALA B 56 10.100 -8.599 -7.673 1.00 0.00 C ATOM 2153 C ALA B 56 9.165 -8.521 -6.472 1.00 0.00 C ATOM 2154 O ALA B 56 8.099 -9.143 -6.462 1.00 0.00 O ATOM 2155 CB ALA B 56 11.274 -9.511 -7.364 1.00 0.00 C ATOM 0 H ALA B 56 11.581 -7.143 -7.957 1.00 0.00 H new ATOM 0 HA ALA B 56 9.540 -9.012 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.904 -10.496 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.906 -9.603 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.856 -9.090 -6.544 1.00 0.00 H new ATOM 2161 N VAL B 57 9.566 -7.754 -5.464 1.00 0.00 N ATOM 2162 CA VAL B 57 8.749 -7.569 -4.276 1.00 0.00 C ATOM 2163 C VAL B 57 7.443 -6.872 -4.635 1.00 0.00 C ATOM 2164 O VAL B 57 6.378 -7.283 -4.191 1.00 0.00 O ATOM 2165 CB VAL B 57 9.480 -6.755 -3.186 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.588 -6.578 -1.963 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.790 -7.429 -2.797 1.00 0.00 C ATOM 0 H VAL B 57 10.453 -7.251 -5.448 1.00 0.00 H new ATOM 0 HA VAL B 57 8.543 -8.561 -3.874 1.00 0.00 H new ATOM 0 HB VAL B 57 9.710 -5.770 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.119 -6.002 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.679 -6.049 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.327 -7.556 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.288 -6.839 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.585 -8.428 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.435 -7.503 -3.673 1.00 0.00 H new ATOM 2177 N ALA B 58 7.530 -5.837 -5.463 1.00 0.00 N ATOM 2178 CA ALA B 58 6.348 -5.089 -5.884 1.00 0.00 C ATOM 2179 C ALA B 58 5.367 -5.985 -6.635 1.00 0.00 C ATOM 2180 O ALA B 58 4.156 -5.902 -6.432 1.00 0.00 O ATOM 2181 CB ALA B 58 6.751 -3.906 -6.747 1.00 0.00 C ATOM 0 H ALA B 58 8.407 -5.496 -5.857 1.00 0.00 H new ATOM 0 HA ALA B 58 5.848 -4.718 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.860 -3.358 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.405 -3.246 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.278 -4.264 -7.631 1.00 0.00 H new ATOM 2187 N GLU B 59 5.905 -6.845 -7.493 1.00 0.00 N ATOM 2188 CA GLU B 59 5.101 -7.781 -8.273 1.00 0.00 C ATOM 2189 C GLU B 59 4.265 -8.673 -7.353 1.00 0.00 C ATOM 2190 O GLU B 59 3.064 -8.857 -7.557 1.00 0.00 O ATOM 2191 CB GLU B 59 6.024 -8.642 -9.142 1.00 0.00 C ATOM 2192 CG GLU B 59 5.298 -9.570 -10.104 1.00 0.00 C ATOM 2193 CD GLU B 59 4.548 -8.830 -11.194 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.180 -8.053 -11.939 1.00 0.00 O ATOM 2195 OE2 GLU B 59 3.326 -9.049 -11.338 1.00 0.00 O ATOM 0 H GLU B 59 6.908 -6.914 -7.668 1.00 0.00 H new ATOM 0 HA GLU B 59 4.421 -7.216 -8.911 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.679 -7.986 -9.715 1.00 0.00 H new ATOM 0 HB3 GLU B 59 6.661 -9.240 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU B 59 6.020 -10.245 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU B 59 4.596 -10.187 -9.543 1.00 0.00 H new ATOM 2202 N GLN B 60 4.909 -9.211 -6.326 1.00 0.00 N ATOM 2203 CA GLN B 60 4.242 -10.098 -5.381 1.00 0.00 C ATOM 2204 C GLN B 60 3.386 -9.305 -4.398 1.00 0.00 C ATOM 2205 O GLN B 60 2.375 -9.802 -3.909 1.00 0.00 O ATOM 2206 CB GLN B 60 5.278 -10.924 -4.617 1.00 0.00 C ATOM 2207 CG GLN B 60 6.073 -11.875 -5.493 1.00 0.00 C ATOM 2208 CD GLN B 60 7.222 -12.536 -4.751 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.058 -12.744 -3.452 1.00 0.00 O flip ATOM 2210 NE2 GLN B 60 8.248 -12.864 -5.344 1.00 0.00 N flip ATOM 0 H GLN B 60 5.896 -9.048 -6.125 1.00 0.00 H new ATOM 0 HA GLN B 60 3.590 -10.766 -5.944 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.968 -10.247 -4.113 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.771 -11.498 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN B 60 5.407 -12.645 -5.883 1.00 0.00 H new ATOM 0 HG3 GLN B 60 6.466 -11.329 -6.351 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.337 -12.687 -6.345 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.010 -13.313 -4.835 1.00 0.00 H new ATOM 2219 N PHE B 61 3.805 -8.079 -4.112 1.00 0.00 N ATOM 2220 CA PHE B 61 3.064 -7.188 -3.226 1.00 0.00 C ATOM 2221 C PHE B 61 1.707 -6.859 -3.831 1.00 0.00 C ATOM 2222 O PHE B 61 0.670 -7.012 -3.186 1.00 0.00 O ATOM 2223 CB PHE B 61 3.861 -5.900 -2.989 1.00 0.00 C ATOM 2224 CG PHE B 61 3.209 -4.940 -2.033 1.00 0.00 C ATOM 2225 CD1 PHE B 61 3.422 -5.055 -0.668 1.00 0.00 C ATOM 2226 CD2 PHE B 61 2.402 -3.914 -2.498 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.833 -4.172 0.214 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.807 -3.029 -1.619 1.00 0.00 C ATOM 2229 CZ PHE B 61 2.029 -3.155 -0.262 1.00 0.00 C ATOM 0 H PHE B 61 4.664 -7.675 -4.485 1.00 0.00 H new ATOM 0 HA PHE B 61 2.911 -7.689 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.848 -6.162 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE B 61 4.012 -5.398 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE B 61 4.056 -5.844 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.236 -3.805 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE B 61 3.001 -4.276 1.276 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.170 -2.241 -1.992 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.574 -2.459 0.427 1.00 0.00 H new ATOM 2239 N ALA B 62 1.726 -6.415 -5.083 1.00 0.00 N ATOM 2240 CA ALA B 62 0.500 -6.115 -5.808 1.00 0.00 C ATOM 2241 C ALA B 62 -0.350 -7.369 -5.947 1.00 0.00 C ATOM 2242 O ALA B 62 -1.580 -7.314 -5.914 1.00 0.00 O ATOM 2243 CB ALA B 62 0.821 -5.537 -7.179 1.00 0.00 C ATOM 0 H ALA B 62 2.580 -6.255 -5.617 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.064 -5.372 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.107 -5.318 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.397 -4.619 -7.061 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.403 -6.259 -7.751 1.00 0.00 H new ATOM 2249 N LYS B 63 0.322 -8.504 -6.086 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.355 -9.784 -6.199 1.00 0.00 C ATOM 2251 C LYS B 63 -1.019 -10.166 -4.881 1.00 0.00 C ATOM 2252 O LYS B 63 -2.121 -10.710 -4.869 1.00 0.00 O ATOM 2253 CB LYS B 63 0.636 -10.864 -6.638 1.00 0.00 C ATOM 2254 CG LYS B 63 0.126 -11.703 -7.796 1.00 0.00 C ATOM 2255 CD LYS B 63 -0.454 -10.820 -8.889 1.00 0.00 C ATOM 2256 CE LYS B 63 0.606 -9.940 -9.538 1.00 0.00 C ATOM 2257 NZ LYS B 63 1.458 -10.687 -10.498 1.00 0.00 N ATOM 0 H LYS B 63 1.340 -8.562 -6.123 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.136 -9.697 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.576 -10.392 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.852 -11.516 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS B 63 0.940 -12.304 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -0.636 -12.397 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -0.921 -11.445 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -1.238 -10.191 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS B 63 0.120 -9.114 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS B 63 1.235 -9.504 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.407 -10.262 -10.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 1.532 -11.680 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.033 -10.643 -11.446 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.350 -9.860 -3.775 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.898 -10.120 -2.449 1.00 0.00 C ATOM 2273 C ALA B 64 -2.186 -9.336 -2.240 1.00 0.00 C ATOM 2274 O ALA B 64 -3.150 -9.846 -1.673 1.00 0.00 O ATOM 2275 CB ALA B 64 0.120 -9.771 -1.373 1.00 0.00 C ATOM 0 H ALA B 64 0.575 -9.430 -3.771 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.127 -11.183 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.306 -9.971 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA B 64 1.016 -10.376 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.380 -8.715 -1.447 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.192 -8.091 -2.709 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.383 -7.250 -2.642 1.00 0.00 C ATOM 2283 C LEU B 65 -4.511 -7.852 -3.470 1.00 0.00 C ATOM 2284 O LEU B 65 -5.634 -7.990 -2.990 1.00 0.00 O ATOM 2285 CB LEU B 65 -3.073 -5.829 -3.128 1.00 0.00 C ATOM 2286 CG LEU B 65 -2.601 -4.850 -2.049 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -1.362 -5.365 -1.339 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.335 -3.483 -2.659 1.00 0.00 C ATOM 0 H LEU B 65 -1.384 -7.642 -3.140 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.702 -7.199 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -2.307 -5.887 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.968 -5.421 -3.597 1.00 0.00 H new ATOM 0 HG LEU B 65 -3.395 -4.758 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -1.053 -4.647 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -1.585 -6.321 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.557 -5.498 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -2.000 -2.796 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.563 -3.570 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.251 -3.101 -3.110 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.197 -8.227 -4.707 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.184 -8.828 -5.600 1.00 0.00 C ATOM 2302 C ALA B 66 -5.776 -10.098 -4.995 1.00 0.00 C ATOM 2303 O ALA B 66 -6.992 -10.305 -5.024 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.559 -9.129 -6.955 1.00 0.00 C ATOM 0 H ALA B 66 -3.267 -8.125 -5.114 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.994 -8.111 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.307 -9.577 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.194 -8.204 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.728 -9.822 -6.826 1.00 0.00 H new ATOM 2310 N GLN B 67 -4.912 -10.939 -4.439 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.345 -12.178 -3.809 1.00 0.00 C ATOM 2312 C GLN B 67 -6.177 -11.894 -2.563 1.00 0.00 C ATOM 2313 O GLN B 67 -7.165 -12.577 -2.303 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.139 -13.056 -3.461 1.00 0.00 C ATOM 2315 CG GLN B 67 -3.386 -13.563 -4.681 1.00 0.00 C ATOM 2316 CD GLN B 67 -4.212 -14.517 -5.522 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -4.946 -14.104 -6.418 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -4.094 -15.804 -5.240 1.00 0.00 N ATOM 0 H GLN B 67 -3.904 -10.784 -4.412 1.00 0.00 H new ATOM 0 HA GLN B 67 -5.971 -12.717 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.455 -12.487 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -4.478 -13.909 -2.873 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -3.082 -12.715 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -2.475 -14.066 -4.358 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.474 -16.107 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -4.623 -16.494 -5.774 1.00 0.00 H new ATOM 2327 N SER B 68 -5.782 -10.879 -1.806 1.00 0.00 N ATOM 2328 CA SER B 68 -6.516 -10.481 -0.611 1.00 0.00 C ATOM 2329 C SER B 68 -7.927 -10.025 -0.979 1.00 0.00 C ATOM 2330 O SER B 68 -8.909 -10.460 -0.373 1.00 0.00 O ATOM 2331 CB SER B 68 -5.765 -9.362 0.117 1.00 0.00 C ATOM 2332 OG SER B 68 -6.405 -9.012 1.331 1.00 0.00 O ATOM 0 H SER B 68 -4.955 -10.314 -1.999 1.00 0.00 H new ATOM 0 HA SER B 68 -6.596 -11.341 0.054 1.00 0.00 H new ATOM 0 HB2 SER B 68 -4.743 -9.682 0.322 1.00 0.00 H new ATOM 0 HB3 SER B 68 -5.701 -8.486 -0.528 1.00 0.00 H new ATOM 0 HG SER B 68 -5.901 -8.297 1.772 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.021 -9.174 -1.997 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.306 -8.675 -2.469 1.00 0.00 C ATOM 2340 C VAL B 69 -10.204 -9.825 -2.917 1.00 0.00 C ATOM 2341 O VAL B 69 -11.394 -9.859 -2.600 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.125 -7.675 -3.635 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.471 -7.236 -4.194 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.321 -6.464 -3.181 1.00 0.00 C ATOM 0 H VAL B 69 -7.217 -8.815 -2.512 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.779 -8.157 -1.635 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.576 -8.182 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.313 -6.533 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.013 -8.107 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.051 -6.753 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.204 -5.772 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.844 -5.965 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.338 -6.788 -2.837 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.624 -10.780 -3.630 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.375 -11.927 -4.124 1.00 0.00 C ATOM 2356 C LYS B 70 -10.751 -12.873 -2.977 1.00 0.00 C ATOM 2357 O LYS B 70 -11.750 -13.588 -3.051 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.561 -12.658 -5.200 1.00 0.00 C ATOM 2359 CG LYS B 70 -10.309 -13.794 -5.885 1.00 0.00 C ATOM 2360 CD LYS B 70 -9.564 -14.294 -7.114 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.175 -14.817 -6.775 1.00 0.00 C ATOM 2362 NZ LYS B 70 -8.224 -16.019 -5.904 1.00 0.00 N ATOM 0 H LYS B 70 -8.635 -10.784 -3.880 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.303 -11.572 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.248 -11.937 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -8.654 -13.057 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -10.446 -14.616 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -11.303 -13.453 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -10.142 -15.087 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.478 -13.484 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.645 -15.060 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.605 -14.033 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -7.262 -16.389 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.629 -15.763 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.816 -16.748 -6.351 1.00 0.00 H new ATOM 2376 N SER B 71 -9.960 -12.856 -1.910 1.00 0.00 N ATOM 2377 CA SER B 71 -10.237 -13.681 -0.735 1.00 0.00 C ATOM 2378 C SER B 71 -11.347 -13.062 0.109 1.00 0.00 C ATOM 2379 O SER B 71 -11.986 -13.743 0.913 1.00 0.00 O ATOM 2380 CB SER B 71 -8.971 -13.858 0.106 1.00 0.00 C ATOM 2381 OG SER B 71 -7.943 -14.474 -0.651 1.00 0.00 O ATOM 0 H SER B 71 -9.121 -12.281 -1.832 1.00 0.00 H new ATOM 0 HA SER B 71 -10.569 -14.661 -1.078 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.631 -12.887 0.467 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.195 -14.464 0.984 1.00 0.00 H new ATOM 0 HG SER B 71 -7.421 -13.786 -1.115 1.00 0.00 H new