USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=35 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 48 LYS NZ :NH3+ -158:sc= -0.0773 (180deg=-0.448) USER MOD Set 1.2: B 30 THR OG1 : rot 180:sc= -1.26 USER MOD Set 2.1: A 40 CYS SG : rot 13:sc= -1.21 USER MOD Set 2.2: A 43 HIS : no HE2:sc= -3.75! C(o=-5!,f=-9.9!) USER MOD Single : A 8 SER OG : rot 22:sc= 0.375 USER MOD Single : A 9 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.04) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0865 F(o=-1.6!,f=-0.086) USER MOD Single : A 14 SER OG : rot 96:sc= 1.18 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 1.15 (180deg=1.12) USER MOD Single : A 26 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00261) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 33 SER OG : rot 73:sc= 1.17 USER MOD Single : A 35 MET CE :methyl -164:sc= -0.133 (180deg=-0.57) USER MOD Single : A 39 ASN : amide:sc= 1.11 K(o=1.1,f=-0.036) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0048 USER MOD Single : A 53 SER OG : rot 78:sc= 1.24 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0134 F(o=-1.3!,f=-0.013) USER MOD Single : A 60 GLN :FLIP amide:sc=-0.00758 F(o=-0.98,f=-0.0076) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0469 (180deg=-0.228) USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 68 SER OG : rot 64:sc= 1.25 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.199 K(o=-0.2,f=-3.7!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN :FLIP amide:sc= -0.619 F(o=-1.3!,f=-0.62) USER MOD Single : B 14 SER OG : rot 82:sc= 1.26 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-5.3!) USER MOD Single : B 27 LYS NZ :NH3+ -119:sc= -0.467 (180deg=-2.14!) USER MOD Single : B 33 SER OG : rot 10:sc= 0.143 USER MOD Single : B 35 MET CE :methyl -143:sc= -0.135 (180deg=-0.867) USER MOD Single : B 39 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.2!) USER MOD Single : B 40 CYS SG : rot 170:sc= -0.387 USER MOD Single : B 42 THR OG1 : rot 75:sc= 0.946 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=0.000254 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 60 GLN : amide:sc= -0.0451 K(o=-0.045,f=-1.1) USER MOD Single : B 63 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.962) USER MOD Single : B 67 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 68 SER OG : rot 95:sc= 1.24 USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -2.805 19.502 -1.766 1.00 0.00 N ATOM 121 CA SER A 8 -1.625 19.903 -2.511 1.00 0.00 C ATOM 122 C SER A 8 -0.519 18.861 -2.348 1.00 0.00 C ATOM 123 O SER A 8 -0.577 18.036 -1.434 1.00 0.00 O ATOM 124 CB SER A 8 -1.159 21.265 -2.004 1.00 0.00 C ATOM 125 OG SER A 8 -2.262 22.144 -1.835 1.00 0.00 O ATOM 0 HA SER A 8 -1.866 19.976 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.635 21.145 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.448 21.697 -2.709 1.00 0.00 H new ATOM 0 HG SER A 8 -3.084 21.621 -1.732 1.00 0.00 H new ATOM 131 N ASN A 9 0.489 18.896 -3.218 1.00 0.00 N ATOM 132 CA ASN A 9 1.580 17.927 -3.142 1.00 0.00 C ATOM 133 C ASN A 9 2.299 18.039 -1.801 1.00 0.00 C ATOM 134 O ASN A 9 2.800 17.048 -1.278 1.00 0.00 O ATOM 135 CB ASN A 9 2.577 18.084 -4.302 1.00 0.00 C ATOM 136 CG ASN A 9 3.189 19.470 -4.392 1.00 0.00 C ATOM 137 OD1 ASN A 9 4.168 19.776 -3.712 1.00 0.00 O ATOM 138 ND2 ASN A 9 2.648 20.302 -5.268 1.00 0.00 N ATOM 0 H ASN A 9 0.573 19.575 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 9 1.138 16.934 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.375 17.350 -4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.069 17.858 -5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.043 21.234 -5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.836 20.012 -5.813 1.00 0.00 H new ATOM 145 N THR A 10 2.325 19.245 -1.241 1.00 0.00 N ATOM 146 CA THR A 10 2.876 19.455 0.091 1.00 0.00 C ATOM 147 C THR A 10 2.053 18.694 1.134 1.00 0.00 C ATOM 148 O THR A 10 2.606 18.042 2.019 1.00 0.00 O ATOM 149 CB THR A 10 2.905 20.954 0.451 1.00 0.00 C ATOM 150 OG1 THR A 10 3.540 21.695 -0.600 1.00 0.00 O ATOM 151 CG2 THR A 10 3.648 21.189 1.759 1.00 0.00 C ATOM 0 H THR A 10 1.971 20.090 -1.690 1.00 0.00 H new ATOM 0 HA THR A 10 3.899 19.078 0.091 1.00 0.00 H new ATOM 0 HB THR A 10 1.876 21.294 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.554 22.647 -0.367 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.653 22.255 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.150 20.647 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.674 20.834 1.664 1.00 0.00 H new ATOM 159 N GLN A 11 0.728 18.762 1.002 1.00 0.00 N ATOM 160 CA GLN A 11 -0.177 18.064 1.910 1.00 0.00 C ATOM 161 C GLN A 11 0.042 16.557 1.815 1.00 0.00 C ATOM 162 O GLN A 11 0.242 15.881 2.823 1.00 0.00 O ATOM 163 CB GLN A 11 -1.636 18.387 1.566 1.00 0.00 C ATOM 164 CG GLN A 11 -2.645 17.756 2.517 1.00 0.00 C ATOM 165 CD GLN A 11 -2.833 18.554 3.793 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.774 19.871 3.679 1.00 0.00 O flip ATOM 167 NE2 GLN A 11 -3.064 17.993 4.867 1.00 0.00 N flip ATOM 0 H GLN A 11 0.258 19.296 0.271 1.00 0.00 H new ATOM 0 HA GLN A 11 0.033 18.398 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.771 19.469 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.844 18.047 0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.605 17.661 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.317 16.748 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.101 16.975 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.218 18.547 5.709 1.00 0.00 H new ATOM 176 N VAL A 12 0.015 16.047 0.586 1.00 0.00 N ATOM 177 CA VAL A 12 0.174 14.618 0.334 1.00 0.00 C ATOM 178 C VAL A 12 1.517 14.122 0.858 1.00 0.00 C ATOM 179 O VAL A 12 1.582 13.140 1.596 1.00 0.00 O ATOM 180 CB VAL A 12 0.082 14.292 -1.175 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.093 12.786 -1.407 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.155 14.927 -1.794 1.00 0.00 C ATOM 0 H VAL A 12 -0.117 16.607 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.638 14.113 0.858 1.00 0.00 H new ATOM 0 HB VAL A 12 0.959 14.715 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.027 12.582 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.018 12.364 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.758 12.333 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.197 14.683 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.047 14.544 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.108 16.009 -1.672 1.00 0.00 H new ATOM 192 N GLU A 13 2.581 14.823 0.487 1.00 0.00 N ATOM 193 CA GLU A 13 3.932 14.433 0.865 1.00 0.00 C ATOM 194 C GLU A 13 4.097 14.453 2.383 1.00 0.00 C ATOM 195 O GLU A 13 4.739 13.574 2.957 1.00 0.00 O ATOM 196 CB GLU A 13 4.948 15.365 0.206 1.00 0.00 C ATOM 197 CG GLU A 13 6.380 14.869 0.278 1.00 0.00 C ATOM 198 CD GLU A 13 7.350 15.832 -0.369 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.536 15.761 -1.602 1.00 0.00 O ATOM 200 OE2 GLU A 13 7.928 16.666 0.353 1.00 0.00 O ATOM 0 H GLU A 13 2.533 15.670 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 13 4.109 13.415 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.674 15.502 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.889 16.344 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.659 14.720 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.452 13.898 -0.213 1.00 0.00 H new ATOM 207 N SER A 14 3.500 15.447 3.032 1.00 0.00 N ATOM 208 CA SER A 14 3.557 15.548 4.485 1.00 0.00 C ATOM 209 C SER A 14 2.741 14.436 5.139 1.00 0.00 C ATOM 210 O SER A 14 3.103 13.934 6.204 1.00 0.00 O ATOM 211 CB SER A 14 3.059 16.917 4.946 1.00 0.00 C ATOM 212 OG SER A 14 3.858 17.955 4.400 1.00 0.00 O ATOM 0 H SER A 14 2.973 16.192 2.576 1.00 0.00 H new ATOM 0 HA SER A 14 4.596 15.435 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.021 17.053 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.081 16.969 6.035 1.00 0.00 H new ATOM 0 HG SER A 14 3.430 18.307 3.592 1.00 0.00 H new ATOM 218 N LEU A 15 1.644 14.049 4.498 1.00 0.00 N ATOM 219 CA LEU A 15 0.828 12.945 4.986 1.00 0.00 C ATOM 220 C LEU A 15 1.624 11.646 4.913 1.00 0.00 C ATOM 221 O LEU A 15 1.643 10.860 5.862 1.00 0.00 O ATOM 222 CB LEU A 15 -0.461 12.828 4.165 1.00 0.00 C ATOM 223 CG LEU A 15 -1.467 11.799 4.683 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.934 12.172 6.080 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.653 11.687 3.739 1.00 0.00 C ATOM 0 H LEU A 15 1.300 14.483 3.641 1.00 0.00 H new ATOM 0 HA LEU A 15 0.556 13.137 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.945 13.804 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.198 12.572 3.139 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.973 10.828 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.649 11.430 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.078 12.202 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.410 13.152 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.357 10.950 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.148 12.655 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.306 11.376 2.754 1.00 0.00 H new ATOM 237 N ILE A 16 2.296 11.445 3.785 1.00 0.00 N ATOM 238 CA ILE A 16 3.160 10.286 3.595 1.00 0.00 C ATOM 239 C ILE A 16 4.296 10.303 4.612 1.00 0.00 C ATOM 240 O ILE A 16 4.611 9.288 5.229 1.00 0.00 O ATOM 241 CB ILE A 16 3.754 10.254 2.170 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.633 10.257 1.129 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.644 9.029 1.988 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.121 10.438 -0.292 1.00 0.00 C ATOM 0 H ILE A 16 2.258 12.074 2.983 1.00 0.00 H new ATOM 0 HA ILE A 16 2.550 9.394 3.738 1.00 0.00 H new ATOM 0 HB ILE A 16 4.364 11.146 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.083 9.318 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.931 11.056 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.053 9.024 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.460 9.061 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.056 8.125 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.270 10.430 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.645 11.390 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.800 9.625 -0.550 1.00 0.00 H new ATOM 256 N ALA A 17 4.898 11.469 4.798 1.00 0.00 N ATOM 257 CA ALA A 17 5.981 11.622 5.757 1.00 0.00 C ATOM 258 C ALA A 17 5.508 11.315 7.174 1.00 0.00 C ATOM 259 O ALA A 17 6.266 10.798 7.989 1.00 0.00 O ATOM 260 CB ALA A 17 6.558 13.028 5.686 1.00 0.00 C ATOM 0 H ALA A 17 4.654 12.323 4.297 1.00 0.00 H new ATOM 0 HA ALA A 17 6.762 10.907 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.367 13.126 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.943 13.213 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.777 13.754 5.914 1.00 0.00 H new ATOM 266 N GLU A 18 4.242 11.606 7.456 1.00 0.00 N ATOM 267 CA GLU A 18 3.707 11.435 8.800 1.00 0.00 C ATOM 268 C GLU A 18 3.468 9.960 9.103 1.00 0.00 C ATOM 269 O GLU A 18 3.760 9.491 10.203 1.00 0.00 O ATOM 270 CB GLU A 18 2.417 12.238 8.978 1.00 0.00 C ATOM 271 CG GLU A 18 1.959 12.332 10.425 1.00 0.00 C ATOM 272 CD GLU A 18 0.840 13.331 10.619 1.00 0.00 C ATOM 273 OE1 GLU A 18 1.057 14.531 10.347 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.265 12.926 11.040 1.00 0.00 O ATOM 0 H GLU A 18 3.571 11.960 6.774 1.00 0.00 H new ATOM 0 HA GLU A 18 4.444 11.814 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.567 13.244 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.627 11.779 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.626 11.350 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.805 12.614 11.052 1.00 0.00 H new ATOM 281 N ILE A 19 2.956 9.222 8.124 1.00 0.00 N ATOM 282 CA ILE A 19 2.747 7.790 8.300 1.00 0.00 C ATOM 283 C ILE A 19 4.088 7.058 8.324 1.00 0.00 C ATOM 284 O ILE A 19 4.215 5.992 8.930 1.00 0.00 O ATOM 285 CB ILE A 19 1.818 7.192 7.217 1.00 0.00 C ATOM 286 CG1 ILE A 19 2.350 7.482 5.814 1.00 0.00 C ATOM 287 CG2 ILE A 19 0.405 7.736 7.378 1.00 0.00 C ATOM 288 CD1 ILE A 19 1.428 7.029 4.702 1.00 0.00 C ATOM 0 H ILE A 19 2.681 9.586 7.212 1.00 0.00 H new ATOM 0 HA ILE A 19 2.246 7.651 9.258 1.00 0.00 H new ATOM 0 HB ILE A 19 1.794 6.110 7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.522 8.554 5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.316 6.992 5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.239 7.308 6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.022 7.469 8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.419 8.821 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.875 7.270 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.275 5.952 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.469 7.538 4.794 1.00 0.00 H new ATOM 300 N LEU A 20 5.093 7.649 7.680 1.00 0.00 N ATOM 301 CA LEU A 20 6.460 7.150 7.776 1.00 0.00 C ATOM 302 C LEU A 20 6.978 7.334 9.198 1.00 0.00 C ATOM 303 O LEU A 20 7.684 6.476 9.730 1.00 0.00 O ATOM 304 CB LEU A 20 7.382 7.873 6.787 1.00 0.00 C ATOM 305 CG LEU A 20 7.099 7.604 5.308 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.003 8.458 4.431 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.285 6.128 4.988 1.00 0.00 C ATOM 0 H LEU A 20 4.985 8.472 7.088 1.00 0.00 H new ATOM 0 HA LEU A 20 6.456 6.089 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.307 8.946 6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.412 7.586 7.000 1.00 0.00 H new ATOM 0 HG LEU A 20 6.063 7.872 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.789 8.255 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.823 9.512 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.045 8.219 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.079 5.956 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.311 5.834 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.598 5.535 5.592 1.00 0.00 H new ATOM 319 N VAL A 21 6.616 8.460 9.809 1.00 0.00 N ATOM 320 CA VAL A 21 6.945 8.717 11.208 1.00 0.00 C ATOM 321 C VAL A 21 6.311 7.656 12.098 1.00 0.00 C ATOM 322 O VAL A 21 6.913 7.204 13.065 1.00 0.00 O ATOM 323 CB VAL A 21 6.477 10.122 11.660 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.674 10.312 13.157 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.221 11.203 10.895 1.00 0.00 C ATOM 0 H VAL A 21 6.094 9.210 9.356 1.00 0.00 H new ATOM 0 HA VAL A 21 8.030 8.677 11.302 1.00 0.00 H new ATOM 0 HB VAL A 21 5.412 10.204 11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.337 11.308 13.445 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.096 9.562 13.698 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.730 10.202 13.402 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.879 12.184 11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.291 11.110 11.081 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.028 11.092 9.828 1.00 0.00 H new ATOM 335 N VAL A 22 5.094 7.256 11.754 1.00 0.00 N ATOM 336 CA VAL A 22 4.409 6.186 12.469 1.00 0.00 C ATOM 337 C VAL A 22 5.196 4.884 12.368 1.00 0.00 C ATOM 338 O VAL A 22 5.417 4.203 13.369 1.00 0.00 O ATOM 339 CB VAL A 22 2.981 5.969 11.930 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.304 4.797 12.626 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.160 7.234 12.096 1.00 0.00 C ATOM 0 H VAL A 22 4.560 7.657 10.983 1.00 0.00 H new ATOM 0 HA VAL A 22 4.340 6.487 13.514 1.00 0.00 H new ATOM 0 HB VAL A 22 3.050 5.732 10.868 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.298 4.668 12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.882 3.889 12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.246 4.994 13.696 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.154 7.068 11.712 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.106 7.497 13.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.630 8.048 11.543 1.00 0.00 H new ATOM 351 N LEU A 23 5.613 4.538 11.157 1.00 0.00 N ATOM 352 CA LEU A 23 6.444 3.357 10.948 1.00 0.00 C ATOM 353 C LEU A 23 7.743 3.440 11.750 1.00 0.00 C ATOM 354 O LEU A 23 8.089 2.502 12.474 1.00 0.00 O ATOM 355 CB LEU A 23 6.759 3.173 9.463 1.00 0.00 C ATOM 356 CG LEU A 23 5.545 2.923 8.571 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.967 2.823 7.115 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.821 1.657 9.004 1.00 0.00 C ATOM 0 H LEU A 23 5.391 5.056 10.307 1.00 0.00 H new ATOM 0 HA LEU A 23 5.879 2.494 11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.277 4.062 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.449 2.336 9.355 1.00 0.00 H new ATOM 0 HG LEU A 23 4.861 3.765 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.090 2.645 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.445 3.754 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.670 1.998 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.958 1.493 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.498 0.806 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.487 1.764 10.036 1.00 0.00 H new ATOM 370 N GLU A 24 8.439 4.570 11.645 1.00 0.00 N ATOM 371 CA GLU A 24 9.726 4.750 12.317 1.00 0.00 C ATOM 372 C GLU A 24 9.552 4.882 13.832 1.00 0.00 C ATOM 373 O GLU A 24 10.483 4.623 14.594 1.00 0.00 O ATOM 374 CB GLU A 24 10.458 5.977 11.765 1.00 0.00 C ATOM 375 CG GLU A 24 11.876 6.119 12.299 1.00 0.00 C ATOM 376 CD GLU A 24 12.575 7.367 11.811 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.444 8.421 12.468 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.273 7.298 10.775 1.00 0.00 O ATOM 0 H GLU A 24 8.134 5.376 11.100 1.00 0.00 H new ATOM 0 HA GLU A 24 10.325 3.861 12.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.491 5.914 10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.891 6.874 12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.847 6.129 13.389 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.458 5.246 12.003 1.00 0.00 H new ATOM 385 N LYS A 25 8.353 5.263 14.259 1.00 0.00 N ATOM 386 CA LYS A 25 8.022 5.387 15.680 1.00 0.00 C ATOM 387 C LYS A 25 8.344 4.088 16.415 1.00 0.00 C ATOM 388 O LYS A 25 8.783 4.095 17.562 1.00 0.00 O ATOM 389 CB LYS A 25 6.536 5.730 15.828 1.00 0.00 C ATOM 390 CG LYS A 25 6.111 6.128 17.233 1.00 0.00 C ATOM 391 CD LYS A 25 4.627 6.475 17.285 1.00 0.00 C ATOM 392 CE LYS A 25 4.274 7.602 16.319 1.00 0.00 C ATOM 393 NZ LYS A 25 2.833 7.972 16.385 1.00 0.00 N ATOM 0 H LYS A 25 7.582 5.495 13.633 1.00 0.00 H new ATOM 0 HA LYS A 25 8.620 6.185 16.120 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.296 6.546 15.146 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.946 4.869 15.515 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.320 5.311 17.924 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.699 6.984 17.564 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.038 5.590 17.042 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.358 6.768 18.300 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.882 8.477 16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.522 7.297 15.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.701 8.926 15.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.274 7.290 15.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.516 7.959 17.376 1.00 0.00 H new ATOM 407 N HIS A 26 8.136 2.976 15.724 1.00 0.00 N ATOM 408 CA HIS A 26 8.489 1.658 16.248 1.00 0.00 C ATOM 409 C HIS A 26 9.572 1.028 15.388 1.00 0.00 C ATOM 410 O HIS A 26 9.932 -0.129 15.583 1.00 0.00 O ATOM 411 CB HIS A 26 7.264 0.735 16.309 1.00 0.00 C ATOM 412 CG HIS A 26 6.325 0.873 15.150 1.00 0.00 C ATOM 413 ND1 HIS A 26 6.492 0.213 13.954 1.00 0.00 N ATOM 414 CD2 HIS A 26 5.204 1.618 15.014 1.00 0.00 C ATOM 415 CE1 HIS A 26 5.516 0.552 13.128 1.00 0.00 C ATOM 416 NE2 HIS A 26 4.720 1.402 13.748 1.00 0.00 N ATOM 0 H HIS A 26 7.722 2.958 14.792 1.00 0.00 H new ATOM 0 HA HIS A 26 8.864 1.789 17.263 1.00 0.00 H new ATOM 0 HB2 HIS A 26 7.606 -0.299 16.363 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.717 0.938 17.230 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.770 2.264 15.763 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.392 0.193 12.117 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.883 1.829 13.352 1.00 0.00 H new ATOM 425 N LYS A 27 10.076 1.828 14.445 1.00 0.00 N ATOM 426 CA LYS A 27 11.070 1.413 13.446 1.00 0.00 C ATOM 427 C LYS A 27 10.867 -0.033 12.991 1.00 0.00 C ATOM 428 O LYS A 27 11.797 -0.838 12.979 1.00 0.00 O ATOM 429 CB LYS A 27 12.504 1.664 13.950 1.00 0.00 C ATOM 430 CG LYS A 27 12.916 0.863 15.177 1.00 0.00 C ATOM 431 CD LYS A 27 14.244 1.353 15.740 1.00 0.00 C ATOM 432 CE LYS A 27 15.340 1.392 14.682 1.00 0.00 C ATOM 433 NZ LYS A 27 15.635 0.047 14.120 1.00 0.00 N ATOM 0 H LYS A 27 9.799 2.805 14.351 1.00 0.00 H new ATOM 0 HA LYS A 27 10.919 2.035 12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.199 1.440 13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.610 2.725 14.177 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.143 0.943 15.942 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.997 -0.192 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.112 2.350 16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.553 0.701 16.557 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.039 2.061 13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.248 1.807 15.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.410 0.121 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.916 -0.596 14.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.786 -0.326 13.649 1.00 0.00 H new ATOM 447 N ALA A 28 9.627 -0.349 12.628 1.00 0.00 N ATOM 448 CA ALA A 28 9.286 -1.664 12.090 1.00 0.00 C ATOM 449 C ALA A 28 10.167 -2.024 10.893 1.00 0.00 C ATOM 450 O ALA A 28 10.523 -1.157 10.091 1.00 0.00 O ATOM 451 CB ALA A 28 7.821 -1.696 11.680 1.00 0.00 C ATOM 0 H ALA A 28 8.836 0.292 12.697 1.00 0.00 H new ATOM 0 HA ALA A 28 9.462 -2.401 12.873 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.576 -2.680 11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.195 -1.492 12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.640 -0.939 10.917 1.00 0.00 H new ATOM 457 N PRO A 29 10.543 -3.306 10.768 1.00 0.00 N ATOM 458 CA PRO A 29 11.310 -3.794 9.618 1.00 0.00 C ATOM 459 C PRO A 29 10.495 -3.720 8.330 1.00 0.00 C ATOM 460 O PRO A 29 9.264 -3.653 8.373 1.00 0.00 O ATOM 461 CB PRO A 29 11.616 -5.252 9.977 1.00 0.00 C ATOM 462 CG PRO A 29 10.575 -5.630 10.974 1.00 0.00 C ATOM 463 CD PRO A 29 10.263 -4.376 11.741 1.00 0.00 C ATOM 0 HA PRO A 29 12.205 -3.199 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.571 -5.893 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.618 -5.354 10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.684 -6.017 10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.937 -6.414 11.639 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.225 -4.356 12.074 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.885 -4.283 12.631 1.00 0.00 H new ATOM 471 N THR A 30 11.180 -3.735 7.192 1.00 0.00 N ATOM 472 CA THR A 30 10.528 -3.637 5.892 1.00 0.00 C ATOM 473 C THR A 30 9.442 -4.697 5.723 1.00 0.00 C ATOM 474 O THR A 30 8.330 -4.390 5.300 1.00 0.00 O ATOM 475 CB THR A 30 11.560 -3.782 4.763 1.00 0.00 C ATOM 476 OG1 THR A 30 12.838 -4.118 5.325 1.00 0.00 O ATOM 477 CG2 THR A 30 11.667 -2.496 3.958 1.00 0.00 C ATOM 0 H THR A 30 12.196 -3.815 7.144 1.00 0.00 H new ATOM 0 HA THR A 30 10.060 -2.654 5.839 1.00 0.00 H new ATOM 0 HB THR A 30 11.235 -4.576 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.497 -4.213 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.404 -2.623 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.698 -2.260 3.519 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.976 -1.681 4.613 1.00 0.00 H new ATOM 485 N ASP A 31 9.774 -5.935 6.075 1.00 0.00 N ATOM 486 CA ASP A 31 8.843 -7.060 5.972 1.00 0.00 C ATOM 487 C ASP A 31 7.528 -6.763 6.687 1.00 0.00 C ATOM 488 O ASP A 31 6.446 -6.904 6.114 1.00 0.00 O ATOM 489 CB ASP A 31 9.484 -8.314 6.572 1.00 0.00 C ATOM 490 CG ASP A 31 8.643 -9.558 6.375 1.00 0.00 C ATOM 491 OD1 ASP A 31 7.779 -9.843 7.232 1.00 0.00 O ATOM 492 OD2 ASP A 31 8.861 -10.269 5.372 1.00 0.00 O ATOM 0 H ASP A 31 10.692 -6.189 6.439 1.00 0.00 H new ATOM 0 HA ASP A 31 8.624 -7.223 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.463 -8.468 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.648 -8.157 7.638 1.00 0.00 H new ATOM 497 N LEU A 32 7.634 -6.324 7.934 1.00 0.00 N ATOM 498 CA LEU A 32 6.463 -6.036 8.752 1.00 0.00 C ATOM 499 C LEU A 32 5.754 -4.775 8.262 1.00 0.00 C ATOM 500 O LEU A 32 4.528 -4.682 8.310 1.00 0.00 O ATOM 501 CB LEU A 32 6.874 -5.886 10.220 1.00 0.00 C ATOM 502 CG LEU A 32 5.732 -5.627 11.206 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.681 -6.724 11.114 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.275 -5.530 12.623 1.00 0.00 C ATOM 0 H LEU A 32 8.524 -6.159 8.404 1.00 0.00 H new ATOM 0 HA LEU A 32 5.766 -6.869 8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.396 -6.793 10.527 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.588 -5.066 10.296 1.00 0.00 H new ATOM 0 HG LEU A 32 5.259 -4.680 10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.879 -6.520 11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.273 -6.753 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.137 -7.686 11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.454 -5.346 13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.770 -6.464 12.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.991 -4.710 12.683 1.00 0.00 H new ATOM 516 N SER A 33 6.530 -3.814 7.780 1.00 0.00 N ATOM 517 CA SER A 33 5.968 -2.577 7.258 1.00 0.00 C ATOM 518 C SER A 33 5.148 -2.849 6.000 1.00 0.00 C ATOM 519 O SER A 33 4.047 -2.326 5.844 1.00 0.00 O ATOM 520 CB SER A 33 7.081 -1.570 6.967 1.00 0.00 C ATOM 521 OG SER A 33 7.835 -1.299 8.137 1.00 0.00 O ATOM 0 H SER A 33 7.548 -3.867 7.740 1.00 0.00 H new ATOM 0 HA SER A 33 5.305 -2.152 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.737 -1.961 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.649 -0.645 6.585 1.00 0.00 H new ATOM 0 HG SER A 33 8.402 -2.070 8.347 1.00 0.00 H new ATOM 527 N LEU A 34 5.680 -3.690 5.116 1.00 0.00 N ATOM 528 CA LEU A 34 4.970 -4.078 3.902 1.00 0.00 C ATOM 529 C LEU A 34 3.661 -4.776 4.257 1.00 0.00 C ATOM 530 O LEU A 34 2.645 -4.589 3.589 1.00 0.00 O ATOM 531 CB LEU A 34 5.842 -4.996 3.039 1.00 0.00 C ATOM 532 CG LEU A 34 7.121 -4.361 2.485 1.00 0.00 C ATOM 533 CD1 LEU A 34 7.948 -5.397 1.740 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.789 -3.194 1.568 1.00 0.00 C ATOM 0 H LEU A 34 6.601 -4.116 5.219 1.00 0.00 H new ATOM 0 HA LEU A 34 4.745 -3.177 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.118 -5.869 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.243 -5.355 2.202 1.00 0.00 H new ATOM 0 HG LEU A 34 7.706 -3.984 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.853 -4.930 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.219 -6.204 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.365 -5.801 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.712 -2.758 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.182 -3.547 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.235 -2.439 2.126 1.00 0.00 H new ATOM 546 N MET A 35 3.693 -5.570 5.322 1.00 0.00 N ATOM 547 CA MET A 35 2.499 -6.246 5.815 1.00 0.00 C ATOM 548 C MET A 35 1.460 -5.231 6.284 1.00 0.00 C ATOM 549 O MET A 35 0.296 -5.290 5.882 1.00 0.00 O ATOM 550 CB MET A 35 2.859 -7.194 6.963 1.00 0.00 C ATOM 551 CG MET A 35 1.660 -7.912 7.565 1.00 0.00 C ATOM 552 SD MET A 35 2.102 -8.939 8.981 1.00 0.00 S ATOM 553 CE MET A 35 3.234 -10.102 8.222 1.00 0.00 C ATOM 0 H MET A 35 4.537 -5.762 5.862 1.00 0.00 H new ATOM 0 HA MET A 35 2.074 -6.827 4.996 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.570 -7.936 6.600 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.362 -6.627 7.746 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.918 -7.176 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.193 -8.534 6.801 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.372 -10.959 8.882 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.825 -10.439 7.270 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.195 -9.616 8.052 1.00 0.00 H new ATOM 563 N ALA A 36 1.888 -4.300 7.127 1.00 0.00 N ATOM 564 CA ALA A 36 0.996 -3.282 7.669 1.00 0.00 C ATOM 565 C ALA A 36 0.428 -2.398 6.561 1.00 0.00 C ATOM 566 O ALA A 36 -0.784 -2.200 6.473 1.00 0.00 O ATOM 567 CB ALA A 36 1.727 -2.437 8.701 1.00 0.00 C ATOM 0 H ALA A 36 2.852 -4.229 7.452 1.00 0.00 H new ATOM 0 HA ALA A 36 0.161 -3.788 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.050 -1.681 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.075 -3.075 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.581 -1.949 8.232 1.00 0.00 H new ATOM 573 N LEU A 37 1.310 -1.885 5.710 1.00 0.00 N ATOM 574 CA LEU A 37 0.906 -1.010 4.613 1.00 0.00 C ATOM 575 C LEU A 37 -0.008 -1.741 3.636 1.00 0.00 C ATOM 576 O LEU A 37 -1.025 -1.199 3.206 1.00 0.00 O ATOM 577 CB LEU A 37 2.134 -0.462 3.874 1.00 0.00 C ATOM 578 CG LEU A 37 2.739 0.828 4.445 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.740 1.969 4.358 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.199 0.634 5.881 1.00 0.00 C ATOM 0 H LEU A 37 2.314 -2.060 5.759 1.00 0.00 H new ATOM 0 HA LEU A 37 0.353 -0.175 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.906 -1.232 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.858 -0.282 2.835 1.00 0.00 H new ATOM 0 HG LEU A 37 3.613 1.081 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.186 2.875 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.469 2.137 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.847 1.715 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.623 1.566 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.349 0.347 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.956 -0.149 5.918 1.00 0.00 H new ATOM 592 N GLY A 38 0.349 -2.978 3.305 1.00 0.00 N ATOM 593 CA GLY A 38 -0.446 -3.767 2.382 1.00 0.00 C ATOM 594 C GLY A 38 -1.865 -3.972 2.868 1.00 0.00 C ATOM 595 O GLY A 38 -2.823 -3.826 2.105 1.00 0.00 O ATOM 0 H GLY A 38 1.180 -3.450 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.466 -3.273 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.029 -4.737 2.236 1.00 0.00 H new ATOM 599 N ASN A 39 -2.008 -4.292 4.146 1.00 0.00 N ATOM 600 CA ASN A 39 -3.327 -4.482 4.730 1.00 0.00 C ATOM 601 C ASN A 39 -4.075 -3.160 4.816 1.00 0.00 C ATOM 602 O ASN A 39 -5.295 -3.131 4.719 1.00 0.00 O ATOM 603 CB ASN A 39 -3.240 -5.130 6.113 1.00 0.00 C ATOM 604 CG ASN A 39 -3.031 -6.633 6.045 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.991 -7.403 5.983 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.780 -7.065 6.059 1.00 0.00 N ATOM 0 H ASN A 39 -1.232 -4.425 4.795 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.879 -5.156 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.419 -4.678 6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.155 -4.919 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.585 -8.065 6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.011 -6.397 6.111 1.00 0.00 H new ATOM 613 N CYS A 40 -3.340 -2.066 4.980 1.00 0.00 N ATOM 614 CA CYS A 40 -3.944 -0.738 5.040 1.00 0.00 C ATOM 615 C CYS A 40 -4.494 -0.331 3.672 1.00 0.00 C ATOM 616 O CYS A 40 -5.528 0.337 3.583 1.00 0.00 O ATOM 617 CB CYS A 40 -2.920 0.291 5.529 1.00 0.00 C ATOM 618 SG CYS A 40 -3.576 1.969 5.700 1.00 0.00 S ATOM 0 H CYS A 40 -2.324 -2.071 5.074 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.773 -0.770 5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.528 -0.033 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.081 0.310 4.834 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.874 1.937 5.631 1.00 0.00 H new ATOM 624 N VAL A 41 -3.810 -0.736 2.606 1.00 0.00 N ATOM 625 CA VAL A 41 -4.295 -0.486 1.252 1.00 0.00 C ATOM 626 C VAL A 41 -5.599 -1.244 1.018 1.00 0.00 C ATOM 627 O VAL A 41 -6.610 -0.660 0.620 1.00 0.00 O ATOM 628 CB VAL A 41 -3.261 -0.901 0.180 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.810 -0.664 -1.220 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.953 -0.149 0.372 1.00 0.00 C ATOM 0 H VAL A 41 -2.922 -1.236 2.652 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.463 0.587 1.159 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.064 -1.967 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.066 -0.963 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.717 -1.253 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.041 0.394 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.241 -0.457 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.134 0.923 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.546 -0.373 1.358 1.00 0.00 H new ATOM 640 N THR A 42 -5.574 -2.542 1.300 1.00 0.00 N ATOM 641 CA THR A 42 -6.753 -3.384 1.150 1.00 0.00 C ATOM 642 C THR A 42 -7.858 -2.923 2.105 1.00 0.00 C ATOM 643 O THR A 42 -9.047 -3.017 1.798 1.00 0.00 O ATOM 644 CB THR A 42 -6.405 -4.861 1.424 1.00 0.00 C ATOM 645 OG1 THR A 42 -5.092 -5.144 0.925 1.00 0.00 O ATOM 646 CG2 THR A 42 -7.399 -5.790 0.745 1.00 0.00 C ATOM 0 H THR A 42 -4.746 -3.035 1.635 1.00 0.00 H new ATOM 0 HA THR A 42 -7.109 -3.295 0.124 1.00 0.00 H new ATOM 0 HB THR A 42 -6.446 -5.026 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.870 -6.082 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.131 -6.826 0.954 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.401 -5.591 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.379 -5.620 -0.332 1.00 0.00 H new ATOM 654 N HIS A 43 -7.437 -2.402 3.255 1.00 0.00 N ATOM 655 CA HIS A 43 -8.341 -1.831 4.248 1.00 0.00 C ATOM 656 C HIS A 43 -9.227 -0.753 3.627 1.00 0.00 C ATOM 657 O HIS A 43 -10.420 -0.688 3.898 1.00 0.00 O ATOM 658 CB HIS A 43 -7.515 -1.268 5.428 1.00 0.00 C ATOM 659 CG HIS A 43 -7.900 0.109 5.897 1.00 0.00 C ATOM 660 ND1 HIS A 43 -7.298 1.259 5.433 1.00 0.00 N ATOM 661 CD2 HIS A 43 -8.825 0.510 6.790 1.00 0.00 C ATOM 662 CE1 HIS A 43 -7.841 2.308 6.023 1.00 0.00 C ATOM 663 NE2 HIS A 43 -8.770 1.879 6.850 1.00 0.00 N ATOM 0 H HIS A 43 -6.454 -2.364 3.525 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.002 -2.613 4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.602 -1.956 6.269 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.465 -1.252 5.137 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -6.549 1.294 4.741 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.488 -0.129 7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.569 3.340 5.856 1.00 0.00 H new ATOM 672 N LEU A 44 -8.635 0.086 2.792 1.00 0.00 N ATOM 673 CA LEU A 44 -9.364 1.183 2.177 1.00 0.00 C ATOM 674 C LEU A 44 -10.296 0.667 1.093 1.00 0.00 C ATOM 675 O LEU A 44 -11.385 1.208 0.889 1.00 0.00 O ATOM 676 CB LEU A 44 -8.383 2.207 1.617 1.00 0.00 C ATOM 677 CG LEU A 44 -7.680 3.049 2.681 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.385 3.630 2.136 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.600 4.165 3.155 1.00 0.00 C ATOM 0 H LEU A 44 -7.652 0.028 2.525 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.977 1.670 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.630 1.686 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.917 2.872 0.938 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.438 2.406 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.900 4.226 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.722 2.820 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.604 4.261 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.090 4.760 3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.864 4.802 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.506 3.734 3.581 1.00 0.00 H new ATOM 691 N LEU A 45 -9.875 -0.397 0.425 1.00 0.00 N ATOM 692 CA LEU A 45 -10.699 -1.038 -0.589 1.00 0.00 C ATOM 693 C LEU A 45 -11.952 -1.630 0.044 1.00 0.00 C ATOM 694 O LEU A 45 -13.064 -1.342 -0.382 1.00 0.00 O ATOM 695 CB LEU A 45 -9.907 -2.135 -1.308 1.00 0.00 C ATOM 696 CG LEU A 45 -8.693 -1.650 -2.103 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.944 -2.830 -2.701 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.123 -0.683 -3.195 1.00 0.00 C ATOM 0 H LEU A 45 -8.965 -0.836 0.568 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.995 -0.284 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.570 -2.861 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.579 -2.660 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.023 -1.125 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.083 -2.468 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.604 -3.488 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.607 -3.382 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.247 -0.348 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.813 -1.184 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.618 0.178 -2.745 1.00 0.00 H new ATOM 710 N GLU A 46 -11.760 -2.427 1.090 1.00 0.00 N ATOM 711 CA GLU A 46 -12.866 -3.101 1.770 1.00 0.00 C ATOM 712 C GLU A 46 -13.729 -2.117 2.567 1.00 0.00 C ATOM 713 O GLU A 46 -14.822 -2.462 3.016 1.00 0.00 O ATOM 714 CB GLU A 46 -12.318 -4.181 2.709 1.00 0.00 C ATOM 715 CG GLU A 46 -11.588 -5.314 1.999 1.00 0.00 C ATOM 716 CD GLU A 46 -12.527 -6.266 1.282 1.00 0.00 C ATOM 717 OE1 GLU A 46 -13.300 -6.969 1.970 1.00 0.00 O ATOM 718 OE2 GLU A 46 -12.487 -6.326 0.035 1.00 0.00 O ATOM 0 H GLU A 46 -10.842 -2.624 1.489 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.496 -3.556 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.637 -3.716 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.144 -4.600 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.887 -4.892 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.999 -5.872 2.727 1.00 0.00 H new ATOM 725 N ARG A 47 -13.242 -0.895 2.742 1.00 0.00 N ATOM 726 CA ARG A 47 -13.947 0.098 3.547 1.00 0.00 C ATOM 727 C ARG A 47 -14.729 1.070 2.670 1.00 0.00 C ATOM 728 O ARG A 47 -15.953 1.172 2.776 1.00 0.00 O ATOM 729 CB ARG A 47 -12.953 0.877 4.418 1.00 0.00 C ATOM 730 CG ARG A 47 -13.591 1.924 5.326 1.00 0.00 C ATOM 731 CD ARG A 47 -14.175 1.317 6.597 1.00 0.00 C ATOM 732 NE ARG A 47 -15.270 0.387 6.333 1.00 0.00 N ATOM 733 CZ ARG A 47 -16.535 0.603 6.696 1.00 0.00 C ATOM 734 NH1 ARG A 47 -16.868 1.713 7.343 1.00 0.00 N ATOM 735 NH2 ARG A 47 -17.462 -0.304 6.424 1.00 0.00 N ATOM 0 H ARG A 47 -12.364 -0.567 2.339 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.653 -0.433 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.398 0.170 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.230 1.370 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.844 2.671 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.379 2.442 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.386 0.797 7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.533 2.117 7.244 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.054 -0.480 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.155 2.407 7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.837 1.872 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.207 -1.164 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.430 -0.142 6.700 1.00 0.00 H new ATOM 749 N LYS A 48 -14.018 1.775 1.801 1.00 0.00 N ATOM 750 CA LYS A 48 -14.611 2.850 1.016 1.00 0.00 C ATOM 751 C LYS A 48 -15.061 2.381 -0.360 1.00 0.00 C ATOM 752 O LYS A 48 -16.110 2.796 -0.854 1.00 0.00 O ATOM 753 CB LYS A 48 -13.608 3.991 0.843 1.00 0.00 C ATOM 754 CG LYS A 48 -13.426 4.863 2.073 1.00 0.00 C ATOM 755 CD LYS A 48 -12.294 5.856 1.866 1.00 0.00 C ATOM 756 CE LYS A 48 -12.370 7.019 2.839 1.00 0.00 C ATOM 757 NZ LYS A 48 -13.579 7.854 2.612 1.00 0.00 N ATOM 0 H LYS A 48 -13.026 1.621 1.621 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.489 3.193 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.642 3.569 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.931 4.619 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.351 5.398 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.213 4.237 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.338 5.346 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.327 6.235 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.379 6.638 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.478 7.637 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.424 8.803 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.762 7.929 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.398 7.414 3.079 1.00 0.00 H new ATOM 771 N VAL A 49 -14.269 1.518 -0.971 1.00 0.00 N ATOM 772 CA VAL A 49 -14.446 1.196 -2.379 1.00 0.00 C ATOM 773 C VAL A 49 -15.370 -0.005 -2.578 1.00 0.00 C ATOM 774 O VAL A 49 -15.079 -1.104 -2.116 1.00 0.00 O ATOM 775 CB VAL A 49 -13.085 0.910 -3.052 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.241 0.791 -4.558 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.074 1.993 -2.705 1.00 0.00 C ATOM 0 H VAL A 49 -13.498 1.028 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.908 2.066 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.714 -0.041 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.270 0.590 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.925 -0.025 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.640 1.723 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.123 1.772 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.442 2.959 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.932 2.026 -1.625 1.00 0.00 H new ATOM 787 N PRO A 50 -16.504 0.197 -3.265 1.00 0.00 N ATOM 788 CA PRO A 50 -17.423 -0.893 -3.612 1.00 0.00 C ATOM 789 C PRO A 50 -16.733 -1.963 -4.462 1.00 0.00 C ATOM 790 O PRO A 50 -15.772 -1.670 -5.171 1.00 0.00 O ATOM 791 CB PRO A 50 -18.540 -0.198 -4.398 1.00 0.00 C ATOM 792 CG PRO A 50 -17.979 1.123 -4.804 1.00 0.00 C ATOM 793 CD PRO A 50 -16.987 1.499 -3.745 1.00 0.00 C ATOM 0 HA PRO A 50 -17.792 -1.420 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.831 -0.785 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.433 -0.074 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.500 1.059 -5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.766 1.873 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -16.177 2.106 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.450 2.077 -2.945 1.00 0.00 H new ATOM 801 N SER A 51 -17.239 -3.190 -4.394 1.00 0.00 N ATOM 802 CA SER A 51 -16.563 -4.362 -4.954 1.00 0.00 C ATOM 803 C SER A 51 -16.190 -4.215 -6.436 1.00 0.00 C ATOM 804 O SER A 51 -15.101 -4.628 -6.839 1.00 0.00 O ATOM 805 CB SER A 51 -17.440 -5.598 -4.764 1.00 0.00 C ATOM 806 OG SER A 51 -17.898 -5.691 -3.426 1.00 0.00 O ATOM 0 H SER A 51 -18.131 -3.403 -3.949 1.00 0.00 H new ATOM 0 HA SER A 51 -15.624 -4.465 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.292 -5.552 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.875 -6.493 -5.022 1.00 0.00 H new ATOM 0 HG SER A 51 -18.459 -6.488 -3.327 1.00 0.00 H new ATOM 812 N GLU A 52 -17.067 -3.631 -7.251 1.00 0.00 N ATOM 813 CA GLU A 52 -16.799 -3.559 -8.688 1.00 0.00 C ATOM 814 C GLU A 52 -15.642 -2.599 -8.972 1.00 0.00 C ATOM 815 O GLU A 52 -14.798 -2.860 -9.832 1.00 0.00 O ATOM 816 CB GLU A 52 -18.057 -3.168 -9.491 1.00 0.00 C ATOM 817 CG GLU A 52 -18.412 -1.684 -9.479 1.00 0.00 C ATOM 818 CD GLU A 52 -18.849 -1.179 -8.123 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.050 -1.291 -7.801 1.00 0.00 O ATOM 820 OE2 GLU A 52 -17.997 -0.655 -7.383 1.00 0.00 O ATOM 0 H GLU A 52 -17.947 -3.211 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.508 -4.556 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.918 -3.482 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.905 -3.729 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.547 -1.109 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.210 -1.504 -10.199 1.00 0.00 H new ATOM 827 N SER A 53 -15.590 -1.509 -8.220 1.00 0.00 N ATOM 828 CA SER A 53 -14.520 -0.535 -8.349 1.00 0.00 C ATOM 829 C SER A 53 -13.286 -1.020 -7.599 1.00 0.00 C ATOM 830 O SER A 53 -12.158 -0.653 -7.923 1.00 0.00 O ATOM 831 CB SER A 53 -14.984 0.814 -7.799 1.00 0.00 C ATOM 832 OG SER A 53 -16.259 1.160 -8.321 1.00 0.00 O ATOM 0 H SER A 53 -16.284 -1.277 -7.509 1.00 0.00 H new ATOM 0 HA SER A 53 -14.263 -0.416 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.031 0.771 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.259 1.586 -8.057 1.00 0.00 H new ATOM 0 HG SER A 53 -16.954 0.656 -7.848 1.00 0.00 H new ATOM 838 N ARG A 54 -13.525 -1.864 -6.602 1.00 0.00 N ATOM 839 CA ARG A 54 -12.470 -2.448 -5.783 1.00 0.00 C ATOM 840 C ARG A 54 -11.483 -3.207 -6.662 1.00 0.00 C ATOM 841 O ARG A 54 -10.279 -3.204 -6.412 1.00 0.00 O ATOM 842 CB ARG A 54 -13.109 -3.377 -4.745 1.00 0.00 C ATOM 843 CG ARG A 54 -12.190 -3.821 -3.621 1.00 0.00 C ATOM 844 CD ARG A 54 -12.977 -4.562 -2.545 1.00 0.00 C ATOM 845 NE ARG A 54 -14.047 -3.732 -1.986 1.00 0.00 N ATOM 846 CZ ARG A 54 -14.997 -4.177 -1.162 1.00 0.00 C ATOM 847 NH1 ARG A 54 -14.955 -5.413 -0.688 1.00 0.00 N ATOM 848 NH2 ARG A 54 -15.961 -3.354 -0.770 1.00 0.00 N ATOM 0 H ARG A 54 -14.463 -2.164 -6.338 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.919 -1.662 -5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.971 -2.871 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.485 -4.263 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.408 -4.468 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.695 -2.953 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.405 -5.471 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.301 -4.870 -1.747 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.067 -2.746 -2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.191 -6.035 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.687 -5.743 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.972 -2.388 -1.099 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.691 -3.687 -0.140 1.00 0.00 H new ATOM 862 N GLN A 55 -12.006 -3.837 -7.709 1.00 0.00 N ATOM 863 CA GLN A 55 -11.176 -4.534 -8.682 1.00 0.00 C ATOM 864 C GLN A 55 -10.376 -3.538 -9.518 1.00 0.00 C ATOM 865 O GLN A 55 -9.162 -3.667 -9.664 1.00 0.00 O ATOM 866 CB GLN A 55 -12.044 -5.388 -9.606 1.00 0.00 C ATOM 867 CG GLN A 55 -12.848 -6.456 -8.885 1.00 0.00 C ATOM 868 CD GLN A 55 -13.760 -7.228 -9.820 1.00 0.00 C ATOM 869 OE1 GLN A 55 -14.239 -6.569 -10.867 1.00 0.00 O flip ATOM 870 NE2 GLN A 55 -14.038 -8.409 -9.603 1.00 0.00 N flip ATOM 0 H GLN A 55 -13.006 -3.878 -7.905 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.485 -5.178 -8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.729 -4.737 -10.149 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.405 -5.867 -10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.166 -7.150 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.446 -5.989 -8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.650 -8.883 -8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.656 -8.913 -10.239 1.00 0.00 H new ATOM 879 N ALA A 56 -11.072 -2.536 -10.051 1.00 0.00 N ATOM 880 CA ALA A 56 -10.457 -1.544 -10.929 1.00 0.00 C ATOM 881 C ALA A 56 -9.335 -0.791 -10.221 1.00 0.00 C ATOM 882 O ALA A 56 -8.250 -0.609 -10.776 1.00 0.00 O ATOM 883 CB ALA A 56 -11.509 -0.569 -11.438 1.00 0.00 C ATOM 0 H ALA A 56 -12.068 -2.390 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.020 -2.072 -11.777 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.038 0.166 -12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.271 -1.114 -11.995 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.972 -0.059 -10.593 1.00 0.00 H new ATOM 889 N VAL A 57 -9.598 -0.363 -8.991 1.00 0.00 N ATOM 890 CA VAL A 57 -8.606 0.360 -8.205 1.00 0.00 C ATOM 891 C VAL A 57 -7.395 -0.524 -7.920 1.00 0.00 C ATOM 892 O VAL A 57 -6.256 -0.066 -7.982 1.00 0.00 O ATOM 893 CB VAL A 57 -9.196 0.875 -6.871 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.130 1.578 -6.043 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.365 1.813 -7.127 1.00 0.00 C ATOM 0 H VAL A 57 -10.490 -0.504 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.295 1.221 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.557 0.014 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.568 1.931 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.322 0.881 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.735 2.426 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.765 2.164 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.025 2.666 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.144 1.283 -7.675 1.00 0.00 H new ATOM 905 N ALA A 58 -7.645 -1.796 -7.635 1.00 0.00 N ATOM 906 CA ALA A 58 -6.572 -2.738 -7.343 1.00 0.00 C ATOM 907 C ALA A 58 -5.641 -2.892 -8.541 1.00 0.00 C ATOM 908 O ALA A 58 -4.419 -2.905 -8.392 1.00 0.00 O ATOM 909 CB ALA A 58 -7.147 -4.089 -6.938 1.00 0.00 C ATOM 0 H ALA A 58 -8.581 -2.199 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.990 -2.343 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.333 -4.781 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.766 -3.969 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.755 -4.485 -7.752 1.00 0.00 H new ATOM 915 N GLU A 59 -6.222 -2.985 -9.730 1.00 0.00 N ATOM 916 CA GLU A 59 -5.438 -3.173 -10.942 1.00 0.00 C ATOM 917 C GLU A 59 -4.635 -1.924 -11.291 1.00 0.00 C ATOM 918 O GLU A 59 -3.468 -2.020 -11.677 1.00 0.00 O ATOM 919 CB GLU A 59 -6.333 -3.559 -12.116 1.00 0.00 C ATOM 920 CG GLU A 59 -7.063 -4.875 -11.923 1.00 0.00 C ATOM 921 CD GLU A 59 -7.686 -5.374 -13.205 1.00 0.00 C ATOM 922 OE1 GLU A 59 -8.755 -4.864 -13.592 1.00 0.00 O ATOM 923 OE2 GLU A 59 -7.098 -6.277 -13.839 1.00 0.00 O ATOM 0 H GLU A 59 -7.230 -2.933 -9.880 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.738 -3.986 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.066 -2.768 -12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.726 -3.620 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.366 -5.623 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.839 -4.751 -11.168 1.00 0.00 H new ATOM 930 N GLN A 60 -5.249 -0.754 -11.158 1.00 0.00 N ATOM 931 CA GLN A 60 -4.560 0.490 -11.484 1.00 0.00 C ATOM 932 C GLN A 60 -3.499 0.804 -10.436 1.00 0.00 C ATOM 933 O GLN A 60 -2.444 1.351 -10.756 1.00 0.00 O ATOM 934 CB GLN A 60 -5.543 1.656 -11.625 1.00 0.00 C ATOM 935 CG GLN A 60 -6.285 2.015 -10.347 1.00 0.00 C ATOM 936 CD GLN A 60 -7.214 3.202 -10.520 1.00 0.00 C ATOM 937 OE1 GLN A 60 -7.760 3.366 -11.716 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 -7.445 3.966 -9.583 1.00 0.00 N flip ATOM 0 H GLN A 60 -6.209 -0.640 -10.832 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.068 0.355 -12.447 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.998 2.534 -11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.273 1.408 -12.396 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.863 1.153 -10.013 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.562 2.237 -9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.006 3.808 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.075 4.757 -9.714 1.00 0.00 H new ATOM 947 N PHE A 61 -3.778 0.435 -9.190 1.00 0.00 N ATOM 948 CA PHE A 61 -2.819 0.600 -8.107 1.00 0.00 C ATOM 949 C PHE A 61 -1.585 -0.247 -8.385 1.00 0.00 C ATOM 950 O PHE A 61 -0.453 0.173 -8.135 1.00 0.00 O ATOM 951 CB PHE A 61 -3.455 0.192 -6.773 1.00 0.00 C ATOM 952 CG PHE A 61 -2.592 0.451 -5.571 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.603 1.689 -4.952 1.00 0.00 C ATOM 954 CD2 PHE A 61 -1.774 -0.544 -5.056 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.817 1.932 -3.844 1.00 0.00 C ATOM 956 CE2 PHE A 61 -0.986 -0.307 -3.947 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.006 0.933 -3.341 1.00 0.00 C ATOM 0 H PHE A 61 -4.665 0.018 -8.906 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.525 1.648 -8.044 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.395 0.730 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.697 -0.870 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.234 2.474 -5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.753 -1.515 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.836 2.902 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.355 -1.091 -3.554 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.389 1.122 -2.475 1.00 0.00 H new ATOM 967 N ALA A 62 -1.817 -1.433 -8.933 1.00 0.00 N ATOM 968 CA ALA A 62 -0.736 -2.352 -9.253 1.00 0.00 C ATOM 969 C ALA A 62 0.115 -1.799 -10.389 1.00 0.00 C ATOM 970 O ALA A 62 1.344 -1.794 -10.312 1.00 0.00 O ATOM 971 CB ALA A 62 -1.289 -3.721 -9.618 1.00 0.00 C ATOM 0 H ALA A 62 -2.747 -1.780 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.105 -2.461 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.465 -4.395 -9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.855 -4.121 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.943 -3.630 -10.485 1.00 0.00 H new ATOM 977 N LYS A 63 -0.550 -1.317 -11.434 1.00 0.00 N ATOM 978 CA LYS A 63 0.139 -0.728 -12.575 1.00 0.00 C ATOM 979 C LYS A 63 0.929 0.504 -12.146 1.00 0.00 C ATOM 980 O LYS A 63 2.051 0.720 -12.601 1.00 0.00 O ATOM 981 CB LYS A 63 -0.857 -0.356 -13.677 1.00 0.00 C ATOM 982 CG LYS A 63 -1.568 -1.550 -14.294 1.00 0.00 C ATOM 983 CD LYS A 63 -2.521 -1.117 -15.397 1.00 0.00 C ATOM 984 CE LYS A 63 -3.245 -2.303 -16.018 1.00 0.00 C ATOM 985 NZ LYS A 63 -4.074 -3.033 -15.022 1.00 0.00 N ATOM 0 H LYS A 63 -1.567 -1.323 -11.514 1.00 0.00 H new ATOM 0 HA LYS A 63 0.833 -1.470 -12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.602 0.325 -13.265 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.330 0.186 -14.462 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.832 -2.245 -14.699 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.121 -2.085 -13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.252 -0.417 -14.992 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.965 -0.586 -16.170 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.880 -1.954 -16.832 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.515 -2.986 -16.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.702 -3.699 -15.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.454 -3.558 -14.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.646 -2.353 -14.481 1.00 0.00 H new ATOM 999 N ALA A 64 0.340 1.304 -11.262 1.00 0.00 N ATOM 1000 CA ALA A 64 1.001 2.497 -10.749 1.00 0.00 C ATOM 1001 C ALA A 64 2.299 2.134 -10.037 1.00 0.00 C ATOM 1002 O ALA A 64 3.360 2.669 -10.356 1.00 0.00 O ATOM 1003 CB ALA A 64 0.074 3.260 -9.812 1.00 0.00 C ATOM 0 H ALA A 64 -0.595 1.146 -10.886 1.00 0.00 H new ATOM 0 HA ALA A 64 1.245 3.140 -11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.584 4.148 -9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.824 3.558 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.202 2.621 -8.973 1.00 0.00 H new ATOM 1009 N LEU A 65 2.210 1.206 -9.091 1.00 0.00 N ATOM 1010 CA LEU A 65 3.373 0.774 -8.324 1.00 0.00 C ATOM 1011 C LEU A 65 4.433 0.158 -9.234 1.00 0.00 C ATOM 1012 O LEU A 65 5.612 0.509 -9.160 1.00 0.00 O ATOM 1013 CB LEU A 65 2.955 -0.238 -7.255 1.00 0.00 C ATOM 1014 CG LEU A 65 3.143 0.223 -5.809 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.263 1.427 -5.512 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.837 -0.913 -4.846 1.00 0.00 C ATOM 0 H LEU A 65 1.341 0.737 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 65 3.803 1.652 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.905 -0.488 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.525 -1.155 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 65 4.183 0.519 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.411 1.740 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.529 2.246 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.217 1.160 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.976 -0.569 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.806 -1.238 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.510 -1.748 -5.042 1.00 0.00 H new ATOM 1028 N ALA A 66 3.999 -0.742 -10.108 1.00 0.00 N ATOM 1029 CA ALA A 66 4.912 -1.456 -10.994 1.00 0.00 C ATOM 1030 C ALA A 66 5.648 -0.508 -11.934 1.00 0.00 C ATOM 1031 O ALA A 66 6.850 -0.655 -12.161 1.00 0.00 O ATOM 1032 CB ALA A 66 4.158 -2.510 -11.792 1.00 0.00 C ATOM 0 H ALA A 66 3.018 -0.996 -10.223 1.00 0.00 H new ATOM 0 HA ALA A 66 5.659 -1.946 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.852 -3.035 -12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.696 -3.222 -11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.385 -2.029 -12.391 1.00 0.00 H new ATOM 1038 N GLN A 67 4.934 0.471 -12.474 1.00 0.00 N ATOM 1039 CA GLN A 67 5.524 1.394 -13.434 1.00 0.00 C ATOM 1040 C GLN A 67 6.354 2.469 -12.741 1.00 0.00 C ATOM 1041 O GLN A 67 7.189 3.113 -13.372 1.00 0.00 O ATOM 1042 CB GLN A 67 4.443 2.023 -14.312 1.00 0.00 C ATOM 1043 CG GLN A 67 3.751 1.012 -15.213 1.00 0.00 C ATOM 1044 CD GLN A 67 2.700 1.632 -16.113 1.00 0.00 C ATOM 1045 OE1 GLN A 67 2.062 2.692 -15.642 1.00 0.00 O flip ATOM 1046 NE2 GLN A 67 2.456 1.152 -17.221 1.00 0.00 N flip ATOM 0 H GLN A 67 3.951 0.646 -12.265 1.00 0.00 H new ATOM 0 HA GLN A 67 6.197 0.822 -14.073 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.700 2.504 -13.676 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.890 2.804 -14.927 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.499 0.513 -15.829 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.284 0.245 -14.595 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.971 0.334 -17.547 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.739 1.573 -17.812 1.00 0.00 H new ATOM 1055 N SER A 68 6.136 2.657 -11.445 1.00 0.00 N ATOM 1056 CA SER A 68 6.975 3.558 -10.668 1.00 0.00 C ATOM 1057 C SER A 68 8.365 2.951 -10.514 1.00 0.00 C ATOM 1058 O SER A 68 9.379 3.640 -10.641 1.00 0.00 O ATOM 1059 CB SER A 68 6.351 3.833 -9.299 1.00 0.00 C ATOM 1060 OG SER A 68 5.099 4.483 -9.436 1.00 0.00 O ATOM 0 H SER A 68 5.393 2.202 -10.915 1.00 0.00 H new ATOM 0 HA SER A 68 7.057 4.509 -11.193 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.221 2.895 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.024 4.452 -8.706 1.00 0.00 H new ATOM 0 HG SER A 68 4.469 3.887 -9.892 1.00 0.00 H new ATOM 1066 N VAL A 69 8.399 1.646 -10.273 1.00 0.00 N ATOM 1067 CA VAL A 69 9.652 0.909 -10.209 1.00 0.00 C ATOM 1068 C VAL A 69 10.276 0.824 -11.599 1.00 0.00 C ATOM 1069 O VAL A 69 11.488 0.951 -11.767 1.00 0.00 O ATOM 1070 CB VAL A 69 9.434 -0.518 -9.660 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.753 -1.273 -9.562 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.738 -0.471 -8.307 1.00 0.00 C ATOM 0 H VAL A 69 7.568 1.075 -10.118 1.00 0.00 H new ATOM 0 HA VAL A 69 10.321 1.442 -9.533 1.00 0.00 H new ATOM 0 HB VAL A 69 8.791 -1.054 -10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.571 -2.275 -9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.205 -1.345 -10.551 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.428 -0.741 -8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.593 -1.486 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.352 0.089 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.770 0.018 -8.413 1.00 0.00 H new ATOM 1082 N LYS A 70 9.426 0.646 -12.600 1.00 0.00 N ATOM 1083 CA LYS A 70 9.880 0.531 -13.979 1.00 0.00 C ATOM 1084 C LYS A 70 10.362 1.887 -14.503 1.00 0.00 C ATOM 1085 O LYS A 70 10.963 1.978 -15.576 1.00 0.00 O ATOM 1086 CB LYS A 70 8.746 -0.006 -14.857 1.00 0.00 C ATOM 1087 CG LYS A 70 9.223 -0.641 -16.153 1.00 0.00 C ATOM 1088 CD LYS A 70 8.059 -1.129 -17.006 1.00 0.00 C ATOM 1089 CE LYS A 70 7.183 -2.123 -16.256 1.00 0.00 C ATOM 1090 NZ LYS A 70 6.102 -2.676 -17.116 1.00 0.00 N ATOM 0 H LYS A 70 8.415 0.578 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 70 10.717 -0.166 -14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.177 -0.743 -14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.064 0.811 -15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.809 0.083 -16.718 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.883 -1.478 -15.926 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.455 -0.277 -17.318 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.444 -1.596 -17.912 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.801 -2.939 -15.881 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.741 -1.633 -15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.530 -3.348 -16.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.496 -1.901 -17.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.523 -3.166 -17.931 1.00 0.00 H new ATOM 1392 N SER B 8 3.780 -10.702 16.529 1.00 0.00 N ATOM 1393 CA SER B 8 2.825 -10.545 17.606 1.00 0.00 C ATOM 1394 C SER B 8 1.530 -9.969 17.047 1.00 0.00 C ATOM 1395 O SER B 8 1.544 -8.931 16.383 1.00 0.00 O ATOM 1396 CB SER B 8 3.396 -9.634 18.694 1.00 0.00 C ATOM 1397 OG SER B 8 2.508 -9.524 19.792 1.00 0.00 O ATOM 0 HA SER B 8 2.620 -11.517 18.055 1.00 0.00 H new ATOM 0 HB2 SER B 8 4.353 -10.028 19.036 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.589 -8.645 18.279 1.00 0.00 H new ATOM 0 HG SER B 8 2.900 -8.937 20.472 1.00 0.00 H new ATOM 1403 N ASN B 9 0.423 -10.656 17.302 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.881 -10.252 16.777 1.00 0.00 C ATOM 1405 C ASN B 9 -1.212 -8.822 17.184 1.00 0.00 C ATOM 1406 O ASN B 9 -1.567 -7.994 16.345 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.985 -11.199 17.269 1.00 0.00 C ATOM 1408 CG ASN B 9 -1.785 -12.637 16.820 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -0.657 -13.115 16.685 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -2.881 -13.336 16.574 1.00 0.00 N ATOM 0 H ASN B 9 0.400 -11.501 17.873 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.830 -10.305 15.689 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -2.023 -11.167 18.358 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.949 -10.843 16.906 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.809 -14.304 16.261 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.798 -12.907 16.697 1.00 0.00 H new ATOM 1417 N THR B 10 -1.068 -8.533 18.471 1.00 0.00 N ATOM 1418 CA THR B 10 -1.351 -7.206 18.995 1.00 0.00 C ATOM 1419 C THR B 10 -0.369 -6.172 18.431 1.00 0.00 C ATOM 1420 O THR B 10 -0.732 -5.015 18.213 1.00 0.00 O ATOM 1421 CB THR B 10 -1.301 -7.213 20.535 1.00 0.00 C ATOM 1422 OG1 THR B 10 -2.215 -8.202 21.032 1.00 0.00 O ATOM 1423 CG2 THR B 10 -1.665 -5.853 21.112 1.00 0.00 C ATOM 0 H THR B 10 -0.755 -9.204 19.173 1.00 0.00 H new ATOM 0 HA THR B 10 -2.356 -6.925 18.681 1.00 0.00 H new ATOM 0 HB THR B 10 -0.282 -7.448 20.842 1.00 0.00 H new ATOM 0 HG1 THR B 10 -2.186 -8.212 22.012 1.00 0.00 H new ATOM 0 HG21 THR B 10 -1.619 -5.895 22.200 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.962 -5.103 20.748 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.675 -5.585 20.802 1.00 0.00 H new ATOM 1431 N GLN B 11 0.863 -6.602 18.175 1.00 0.00 N ATOM 1432 CA GLN B 11 1.872 -5.733 17.572 1.00 0.00 C ATOM 1433 C GLN B 11 1.418 -5.277 16.188 1.00 0.00 C ATOM 1434 O GLN B 11 1.313 -4.081 15.924 1.00 0.00 O ATOM 1435 CB GLN B 11 3.214 -6.470 17.472 1.00 0.00 C ATOM 1436 CG GLN B 11 4.323 -5.676 16.790 1.00 0.00 C ATOM 1437 CD GLN B 11 4.801 -4.489 17.607 1.00 0.00 C ATOM 1438 OE1 GLN B 11 4.752 -4.611 18.924 1.00 0.00 O flip ATOM 1439 NE2 GLN B 11 5.228 -3.476 17.057 1.00 0.00 N flip ATOM 0 H GLN B 11 1.188 -7.548 18.375 1.00 0.00 H new ATOM 0 HA GLN B 11 2.000 -4.855 18.205 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.542 -6.739 18.476 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.063 -7.401 16.926 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.167 -6.338 16.595 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.965 -5.322 15.823 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.250 -3.419 16.039 1.00 0.00 H new ATOM 0 HE22 GLN B 11 5.560 -2.692 17.619 1.00 0.00 H new ATOM 1448 N VAL B 12 1.124 -6.241 15.321 1.00 0.00 N ATOM 1449 CA VAL B 12 0.712 -5.947 13.952 1.00 0.00 C ATOM 1450 C VAL B 12 -0.576 -5.127 13.935 1.00 0.00 C ATOM 1451 O VAL B 12 -0.693 -4.151 13.191 1.00 0.00 O ATOM 1452 CB VAL B 12 0.502 -7.241 13.135 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.142 -6.918 11.691 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.743 -8.117 13.191 1.00 0.00 C ATOM 0 H VAL B 12 1.164 -7.236 15.543 1.00 0.00 H new ATOM 0 HA VAL B 12 1.515 -5.369 13.494 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.328 -7.790 13.579 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.001 -7.845 11.136 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.779 -6.335 11.667 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.948 -6.342 11.235 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.575 -9.024 12.610 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.592 -7.572 12.777 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.953 -8.384 14.227 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.527 -5.524 14.775 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.805 -4.830 14.883 1.00 0.00 C ATOM 1466 C GLU B 13 -2.597 -3.351 15.207 1.00 0.00 C ATOM 1467 O GLU B 13 -3.149 -2.477 14.538 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.664 -5.483 15.967 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.025 -4.833 16.145 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.773 -5.377 17.343 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -5.448 -4.975 18.483 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.689 -6.207 17.158 1.00 0.00 O ATOM 0 H GLU B 13 -1.435 -6.329 15.395 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.316 -4.904 13.923 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.804 -6.536 15.722 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.127 -5.445 16.915 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.898 -3.756 16.258 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.620 -4.991 15.246 1.00 0.00 H new ATOM 1479 N SER B 14 -1.784 -3.083 16.223 1.00 0.00 N ATOM 1480 CA SER B 14 -1.531 -1.718 16.666 1.00 0.00 C ATOM 1481 C SER B 14 -0.810 -0.910 15.590 1.00 0.00 C ATOM 1482 O SER B 14 -1.056 0.285 15.436 1.00 0.00 O ATOM 1483 CB SER B 14 -0.712 -1.731 17.954 1.00 0.00 C ATOM 1484 OG SER B 14 -1.360 -2.501 18.953 1.00 0.00 O ATOM 0 H SER B 14 -1.288 -3.797 16.757 1.00 0.00 H new ATOM 0 HA SER B 14 -2.492 -1.240 16.856 1.00 0.00 H new ATOM 0 HB2 SER B 14 0.278 -2.142 17.757 1.00 0.00 H new ATOM 0 HB3 SER B 14 -0.569 -0.711 18.310 1.00 0.00 H new ATOM 0 HG SER B 14 -1.162 -3.451 18.814 1.00 0.00 H new ATOM 1490 N LEU B 15 0.073 -1.567 14.848 1.00 0.00 N ATOM 1491 CA LEU B 15 0.784 -0.918 13.754 1.00 0.00 C ATOM 1492 C LEU B 15 -0.192 -0.430 12.696 1.00 0.00 C ATOM 1493 O LEU B 15 -0.210 0.755 12.354 1.00 0.00 O ATOM 1494 CB LEU B 15 1.795 -1.878 13.126 1.00 0.00 C ATOM 1495 CG LEU B 15 3.231 -1.739 13.632 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.296 -1.860 15.145 1.00 0.00 C ATOM 1497 CD2 LEU B 15 4.122 -2.780 12.977 1.00 0.00 C ATOM 0 H LEU B 15 0.314 -2.549 14.984 1.00 0.00 H new ATOM 0 HA LEU B 15 1.319 -0.060 14.160 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.461 -2.900 13.306 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.792 -1.728 12.046 1.00 0.00 H new ATOM 0 HG LEU B 15 3.590 -0.746 13.361 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.330 -1.757 15.474 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.691 -1.075 15.599 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.914 -2.835 15.449 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.142 -2.670 13.346 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.754 -3.777 13.218 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.110 -2.641 11.896 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.007 -1.349 12.196 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.016 -1.020 11.201 1.00 0.00 C ATOM 1511 C ILE B 16 -2.934 0.076 11.727 1.00 0.00 C ATOM 1512 O ILE B 16 -3.172 1.075 11.051 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.857 -2.259 10.819 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.951 -3.360 10.257 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.939 -1.889 9.810 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.680 -4.651 9.947 1.00 0.00 C ATOM 0 H ILE B 16 -0.988 -2.333 12.465 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.499 -0.668 10.308 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.347 -2.634 11.718 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.473 -2.996 9.347 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.156 -3.565 10.974 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.518 -2.777 9.556 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.599 -1.137 10.243 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.475 -1.489 8.909 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.974 -5.382 9.553 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.135 -5.040 10.858 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.457 -4.461 9.206 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.409 -0.110 12.955 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.323 0.834 13.585 1.00 0.00 C ATOM 1530 C ALA B 17 -3.731 2.239 13.645 1.00 0.00 C ATOM 1531 O ALA B 17 -4.407 3.207 13.314 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.692 0.358 14.983 1.00 0.00 C ATOM 0 H ALA B 17 -3.173 -0.914 13.537 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.224 0.880 12.973 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.375 1.073 15.442 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.175 -0.617 14.920 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -3.790 0.277 15.590 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.463 2.338 14.037 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.803 3.633 14.197 1.00 0.00 C ATOM 1540 C GLU B 18 -1.790 4.400 12.878 1.00 0.00 C ATOM 1541 O GLU B 18 -2.060 5.601 12.843 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.373 3.437 14.711 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.079 4.159 16.022 1.00 0.00 C ATOM 1544 CD GLU B 18 0.040 5.665 15.867 1.00 0.00 C ATOM 1545 OE1 GLU B 18 1.161 6.146 15.595 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -0.978 6.372 16.036 1.00 0.00 O ATOM 0 H GLU B 18 -1.870 1.536 14.250 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.364 4.217 14.927 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.190 2.371 14.846 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.326 3.787 13.951 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.871 3.936 16.737 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.848 3.770 16.443 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.504 3.694 11.791 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.485 4.313 10.470 1.00 0.00 C ATOM 1555 C ILE B 19 -2.903 4.730 10.065 1.00 0.00 C ATOM 1556 O ILE B 19 -3.109 5.776 9.437 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.904 3.356 9.405 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.299 2.599 9.970 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.483 4.140 8.170 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.781 1.470 9.084 1.00 0.00 C ATOM 0 H ILE B 19 -1.283 2.698 11.797 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.844 5.193 10.525 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.676 2.638 9.127 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.118 3.301 10.126 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.036 2.194 10.947 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.075 3.456 7.426 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.349 4.655 7.753 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.277 4.872 8.445 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.636 0.981 9.551 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.022 0.746 8.948 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.077 1.870 8.114 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.882 3.913 10.451 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.284 4.210 10.175 1.00 0.00 C ATOM 1574 C LEU B 20 -5.715 5.457 10.935 1.00 0.00 C ATOM 1575 O LEU B 20 -6.483 6.272 10.428 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.190 3.038 10.572 1.00 0.00 C ATOM 1577 CG LEU B 20 -5.807 1.676 9.993 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -6.855 0.633 10.347 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -5.622 1.760 8.489 1.00 0.00 C ATOM 0 H LEU B 20 -3.728 3.040 10.956 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.382 4.378 9.103 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.197 2.961 11.659 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.209 3.270 10.262 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.857 1.374 10.434 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.566 -0.330 9.927 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.932 0.548 11.431 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -7.820 0.933 9.937 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.350 0.779 8.101 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.552 2.088 8.026 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.831 2.473 8.259 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.211 5.594 12.157 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.514 6.747 12.990 1.00 0.00 C ATOM 1593 C VAL B 21 -5.002 8.030 12.339 1.00 0.00 C ATOM 1594 O VAL B 21 -5.646 9.072 12.420 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.914 6.599 14.408 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.177 7.842 15.238 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.484 5.376 15.109 1.00 0.00 C ATOM 0 H VAL B 21 -4.587 4.915 12.593 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.598 6.803 13.086 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.837 6.472 14.303 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.746 7.714 16.231 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.722 8.706 14.753 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.252 8.000 15.327 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.048 5.291 16.105 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.566 5.477 15.194 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.247 4.482 14.532 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.857 7.945 11.671 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.318 9.090 10.941 1.00 0.00 C ATOM 1609 C VAL B 22 -4.289 9.524 9.848 1.00 0.00 C ATOM 1610 O VAL B 22 -4.588 10.713 9.699 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.948 8.776 10.306 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -1.395 9.993 9.579 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.972 8.301 11.365 1.00 0.00 C ATOM 0 H VAL B 22 -3.286 7.101 11.619 1.00 0.00 H new ATOM 0 HA VAL B 22 -3.183 9.896 11.662 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.085 7.979 9.576 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.428 9.746 9.140 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.086 10.291 8.791 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -1.274 10.815 10.285 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -0.010 8.083 10.902 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.845 9.079 12.118 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.359 7.399 11.838 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.790 8.550 9.094 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.781 8.819 8.055 1.00 0.00 C ATOM 1625 C LEU B 23 -7.067 9.370 8.669 1.00 0.00 C ATOM 1626 O LEU B 23 -7.729 10.231 8.089 1.00 0.00 O ATOM 1627 CB LEU B 23 -6.087 7.543 7.265 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.891 6.914 6.545 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -5.303 5.621 5.858 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -4.301 7.888 5.535 1.00 0.00 C ATOM 0 H LEU B 23 -4.527 7.568 9.182 1.00 0.00 H new ATOM 0 HA LEU B 23 -5.368 9.565 7.376 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.507 6.805 7.948 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.856 7.769 6.527 1.00 0.00 H new ATOM 0 HG LEU B 23 -4.127 6.683 7.287 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.441 5.187 5.351 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.679 4.918 6.601 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -6.085 5.830 5.128 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -3.452 7.423 5.034 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -5.059 8.150 4.797 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.969 8.789 6.050 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.400 8.868 9.852 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.594 9.286 10.577 1.00 0.00 C ATOM 1644 C GLU B 24 -8.463 10.745 11.028 1.00 0.00 C ATOM 1645 O GLU B 24 -9.339 11.568 10.753 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.797 8.363 11.788 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.216 8.327 12.345 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.662 9.641 12.948 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -9.998 10.124 13.888 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.676 10.201 12.474 1.00 0.00 O ATOM 0 H GLU B 24 -6.849 8.159 10.336 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.461 9.214 9.920 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.509 7.350 11.505 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -8.120 8.677 12.582 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -10.904 8.051 11.546 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.280 7.548 13.104 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.354 11.051 11.703 1.00 0.00 N ATOM 1658 CA LYS B 25 -7.096 12.389 12.243 1.00 0.00 C ATOM 1659 C LYS B 25 -7.230 13.471 11.177 1.00 0.00 C ATOM 1660 O LYS B 25 -7.905 14.477 11.385 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.694 12.454 12.862 1.00 0.00 C ATOM 1662 CG LYS B 25 -5.563 11.702 14.177 1.00 0.00 C ATOM 1663 CD LYS B 25 -4.110 11.589 14.610 1.00 0.00 C ATOM 1664 CE LYS B 25 -3.985 10.979 15.995 1.00 0.00 C ATOM 1665 NZ LYS B 25 -2.575 10.641 16.328 1.00 0.00 N ATOM 0 H LYS B 25 -6.609 10.380 11.891 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.847 12.575 13.010 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -4.975 12.049 12.150 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.428 13.498 13.024 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -6.135 12.215 14.950 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.991 10.705 14.072 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.562 10.978 13.892 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.650 12.577 14.604 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -4.375 11.677 16.736 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.597 10.079 16.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.533 10.227 17.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.210 9.955 15.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.995 11.504 16.299 1.00 0.00 H new ATOM 1679 N HIS B 26 -6.599 13.256 10.033 1.00 0.00 N ATOM 1680 CA HIS B 26 -6.613 14.251 8.965 1.00 0.00 C ATOM 1681 C HIS B 26 -7.909 14.176 8.166 1.00 0.00 C ATOM 1682 O HIS B 26 -8.262 15.123 7.457 1.00 0.00 O ATOM 1683 CB HIS B 26 -5.419 14.056 8.024 1.00 0.00 C ATOM 1684 CG HIS B 26 -4.086 14.310 8.663 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -3.455 15.534 8.627 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -3.260 13.483 9.346 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -2.300 15.450 9.264 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -2.161 14.217 9.708 1.00 0.00 N ATOM 0 H HIS B 26 -6.073 12.409 9.818 1.00 0.00 H new ATOM 0 HA HIS B 26 -6.542 15.234 9.431 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -5.437 13.036 7.639 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.532 14.722 7.168 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.435 12.440 9.565 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -1.591 16.254 9.398 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -1.363 13.865 10.237 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.617 13.056 8.315 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.799 12.751 7.513 1.00 0.00 C ATOM 1699 C LYS B 27 -9.460 12.848 6.030 1.00 0.00 C ATOM 1700 O LYS B 27 -9.829 13.805 5.348 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.977 13.670 7.861 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.284 13.245 7.205 1.00 0.00 C ATOM 1703 CD LYS B 27 -13.436 14.191 7.523 1.00 0.00 C ATOM 1704 CE LYS B 27 -13.824 14.164 8.996 1.00 0.00 C ATOM 1705 NZ LYS B 27 -13.000 15.089 9.820 1.00 0.00 N ATOM 0 H LYS B 27 -8.385 12.334 8.997 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.108 11.731 7.743 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -11.109 13.686 8.943 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.738 14.688 7.554 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.145 13.198 6.125 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.543 12.240 7.537 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.156 15.206 7.243 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.301 13.921 6.918 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.876 14.433 9.096 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.716 13.149 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.481 14.545 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.323 15.589 9.209 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.619 15.780 10.290 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.722 11.862 5.551 1.00 0.00 N ATOM 1720 CA ALA B 28 -8.264 11.858 4.175 1.00 0.00 C ATOM 1721 C ALA B 28 -9.332 11.304 3.243 1.00 0.00 C ATOM 1722 O ALA B 28 -9.928 10.260 3.517 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.979 11.051 4.051 1.00 0.00 C ATOM 0 H ALA B 28 -8.427 11.052 6.097 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.063 12.888 3.880 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.645 11.055 3.013 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -6.209 11.494 4.682 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -7.162 10.025 4.369 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.613 12.020 2.145 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.499 11.527 1.093 1.00 0.00 C ATOM 1731 C PRO B 29 -9.903 10.302 0.404 1.00 0.00 C ATOM 1732 O PRO B 29 -8.690 10.085 0.459 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.605 12.706 0.118 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.412 13.554 0.399 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.107 13.373 1.858 1.00 0.00 C ATOM 0 HA PRO B 29 -11.469 11.210 1.477 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.609 12.362 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.529 13.263 0.272 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.565 13.251 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.615 14.600 0.170 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.039 13.454 2.059 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.604 14.126 2.469 1.00 0.00 H new ATOM 1743 N THR B 30 -10.753 9.519 -0.251 1.00 0.00 N ATOM 1744 CA THR B 30 -10.345 8.248 -0.845 1.00 0.00 C ATOM 1745 C THR B 30 -9.159 8.416 -1.802 1.00 0.00 C ATOM 1746 O THR B 30 -8.229 7.606 -1.798 1.00 0.00 O ATOM 1747 CB THR B 30 -11.528 7.604 -1.590 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.699 7.667 -0.764 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.233 6.152 -1.941 1.00 0.00 C ATOM 0 H THR B 30 -11.739 9.744 -0.386 1.00 0.00 H new ATOM 0 HA THR B 30 -10.027 7.597 -0.031 1.00 0.00 H new ATOM 0 HB THR B 30 -11.691 8.153 -2.517 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.455 7.259 -1.236 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.087 5.724 -2.466 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.352 6.104 -2.581 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.049 5.587 -1.027 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.183 9.481 -2.598 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.100 9.758 -3.540 1.00 0.00 C ATOM 1759 C ASP B 31 -6.793 10.006 -2.801 1.00 0.00 C ATOM 1760 O ASP B 31 -5.748 9.462 -3.160 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.428 10.976 -4.411 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.475 10.688 -5.468 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.683 10.810 -5.167 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -9.097 10.350 -6.608 1.00 0.00 O ATOM 0 H ASP B 31 -9.939 10.166 -2.611 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.991 8.883 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.778 11.787 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.516 11.324 -4.897 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.865 10.814 -1.751 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.680 11.197 -0.999 1.00 0.00 C ATOM 1771 C LEU B 32 -5.113 10.007 -0.229 1.00 0.00 C ATOM 1772 O LEU B 32 -3.900 9.795 -0.211 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.010 12.351 -0.044 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.842 12.864 0.805 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.663 13.243 -0.075 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.278 14.058 1.640 1.00 0.00 C ATOM 0 H LEU B 32 -7.734 11.217 -1.401 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.919 11.533 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.402 13.182 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.808 12.028 0.625 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.529 12.062 1.474 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.845 13.605 0.548 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.332 12.369 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.964 14.028 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.437 14.411 2.237 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.616 14.858 0.982 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.093 13.762 2.300 1.00 0.00 H new ATOM 1788 N SER B 33 -5.990 9.222 0.385 1.00 0.00 N ATOM 1789 CA SER B 33 -5.556 8.077 1.169 1.00 0.00 C ATOM 1790 C SER B 33 -4.861 7.038 0.290 1.00 0.00 C ATOM 1791 O SER B 33 -3.817 6.504 0.661 1.00 0.00 O ATOM 1792 CB SER B 33 -6.746 7.461 1.912 1.00 0.00 C ATOM 1793 OG SER B 33 -7.854 7.271 1.047 1.00 0.00 O ATOM 0 H SER B 33 -7.000 9.358 0.354 1.00 0.00 H new ATOM 0 HA SER B 33 -4.830 8.422 1.906 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.452 6.505 2.344 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.035 8.109 2.739 1.00 0.00 H new ATOM 0 HG SER B 33 -7.577 7.431 0.121 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.418 6.778 -0.888 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.847 5.786 -1.792 1.00 0.00 C ATOM 1801 C LEU B 34 -3.523 6.277 -2.369 1.00 0.00 C ATOM 1802 O LEU B 34 -2.573 5.505 -2.512 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.828 5.455 -2.920 1.00 0.00 C ATOM 1804 CG LEU B 34 -7.106 4.737 -2.476 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -8.042 4.537 -3.658 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.772 3.400 -1.830 1.00 0.00 C ATOM 0 H LEU B 34 -6.259 7.237 -1.238 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.657 4.878 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.106 6.381 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.317 4.834 -3.655 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.610 5.359 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.945 4.025 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.309 5.506 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.544 3.936 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.693 2.905 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.245 2.771 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.139 3.565 -0.958 1.00 0.00 H new ATOM 1818 N MET B 35 -3.463 7.566 -2.682 1.00 0.00 N ATOM 1819 CA MET B 35 -2.252 8.171 -3.223 1.00 0.00 C ATOM 1820 C MET B 35 -1.118 8.105 -2.204 1.00 0.00 C ATOM 1821 O MET B 35 0.003 7.712 -2.530 1.00 0.00 O ATOM 1822 CB MET B 35 -2.518 9.625 -3.623 1.00 0.00 C ATOM 1823 CG MET B 35 -1.327 10.308 -4.277 1.00 0.00 C ATOM 1824 SD MET B 35 -1.672 12.018 -4.742 1.00 0.00 S ATOM 1825 CE MET B 35 -3.049 11.797 -5.868 1.00 0.00 C ATOM 0 H MET B 35 -4.242 8.215 -2.570 1.00 0.00 H new ATOM 0 HA MET B 35 -1.954 7.611 -4.109 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.364 9.654 -4.309 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.807 10.189 -2.736 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.480 10.286 -3.592 1.00 0.00 H new ATOM 0 HG3 MET B 35 -1.034 9.747 -5.164 1.00 0.00 H new ATOM 0 HE1 MET B 35 -2.970 12.515 -6.685 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.030 10.785 -6.272 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.985 11.957 -5.333 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.425 8.476 -0.965 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.440 8.453 0.108 1.00 0.00 C ATOM 1837 C ALA B 36 0.050 7.033 0.368 1.00 0.00 C ATOM 1838 O ALA B 36 1.252 6.797 0.499 1.00 0.00 O ATOM 1839 CB ALA B 36 -1.026 9.054 1.377 1.00 0.00 C ATOM 0 H ALA B 36 -2.350 8.797 -0.680 1.00 0.00 H new ATOM 0 HA ALA B 36 0.415 9.054 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.278 9.030 2.170 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.321 10.086 1.188 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.899 8.477 1.683 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.887 6.092 0.424 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.561 4.689 0.661 1.00 0.00 C ATOM 1847 C LEU B 37 0.361 4.143 -0.426 1.00 0.00 C ATOM 1848 O LEU B 37 1.390 3.540 -0.125 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.839 3.845 0.741 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.341 3.536 2.158 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.361 2.628 2.880 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.558 4.814 2.956 1.00 0.00 C ATOM 0 H LEU B 37 -1.883 6.277 0.308 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.036 4.627 1.614 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.630 4.364 0.199 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.663 2.902 0.223 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.299 3.024 2.070 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.731 2.418 3.884 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.257 1.693 2.329 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.391 3.120 2.947 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.914 4.563 3.955 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.617 5.360 3.032 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.299 5.436 2.453 1.00 0.00 H new ATOM 1864 N GLY B 38 -0.002 4.378 -1.683 1.00 0.00 N ATOM 1865 CA GLY B 38 0.790 3.882 -2.798 1.00 0.00 C ATOM 1866 C GLY B 38 2.218 4.386 -2.771 1.00 0.00 C ATOM 1867 O GLY B 38 3.166 3.610 -2.923 1.00 0.00 O ATOM 0 H GLY B 38 -0.833 4.905 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.793 2.792 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.320 4.183 -3.734 1.00 0.00 H new ATOM 1871 N ASN B 39 2.379 5.685 -2.561 1.00 0.00 N ATOM 1872 CA ASN B 39 3.704 6.288 -2.524 1.00 0.00 C ATOM 1873 C ASN B 39 4.479 5.830 -1.296 1.00 0.00 C ATOM 1874 O ASN B 39 5.699 5.686 -1.345 1.00 0.00 O ATOM 1875 CB ASN B 39 3.610 7.815 -2.551 1.00 0.00 C ATOM 1876 CG ASN B 39 3.162 8.348 -3.898 1.00 0.00 C ATOM 1877 OD1 ASN B 39 3.406 7.735 -4.934 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.511 9.500 -3.893 1.00 0.00 N ATOM 0 H ASN B 39 1.611 6.340 -2.414 1.00 0.00 H new ATOM 0 HA ASN B 39 4.242 5.958 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.911 8.146 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.582 8.240 -2.302 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.192 9.910 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN B 39 2.328 9.978 -3.011 1.00 0.00 H new ATOM 1885 N CYS B 40 3.770 5.588 -0.200 1.00 0.00 N ATOM 1886 CA CYS B 40 4.400 5.113 1.025 1.00 0.00 C ATOM 1887 C CYS B 40 4.986 3.718 0.820 1.00 0.00 C ATOM 1888 O CYS B 40 6.137 3.463 1.178 1.00 0.00 O ATOM 1889 CB CYS B 40 3.394 5.097 2.177 1.00 0.00 C ATOM 1890 SG CYS B 40 4.102 4.619 3.770 1.00 0.00 S ATOM 0 H CYS B 40 2.760 5.713 -0.135 1.00 0.00 H new ATOM 0 HA CYS B 40 5.209 5.798 1.279 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.951 6.088 2.272 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.586 4.409 1.930 1.00 0.00 H new ATOM 0 HG CYS B 40 3.235 4.839 4.714 1.00 0.00 H new ATOM 1896 N VAL B 41 4.192 2.828 0.228 1.00 0.00 N ATOM 1897 CA VAL B 41 4.632 1.463 -0.054 1.00 0.00 C ATOM 1898 C VAL B 41 5.850 1.475 -0.977 1.00 0.00 C ATOM 1899 O VAL B 41 6.824 0.753 -0.755 1.00 0.00 O ATOM 1900 CB VAL B 41 3.490 0.630 -0.692 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.948 -0.782 -1.033 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.285 0.580 0.236 1.00 0.00 C ATOM 0 H VAL B 41 3.236 3.029 -0.067 1.00 0.00 H new ATOM 0 HA VAL B 41 4.909 0.998 0.892 1.00 0.00 H new ATOM 0 HB VAL B 41 3.204 1.123 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.121 -1.335 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.776 -0.735 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.276 -1.288 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.493 -0.008 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.573 0.120 1.182 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.925 1.592 0.419 1.00 0.00 H new ATOM 1912 N THR B 42 5.802 2.330 -1.990 1.00 0.00 N ATOM 1913 CA THR B 42 6.898 2.461 -2.938 1.00 0.00 C ATOM 1914 C THR B 42 8.135 3.072 -2.269 1.00 0.00 C ATOM 1915 O THR B 42 9.263 2.662 -2.537 1.00 0.00 O ATOM 1916 CB THR B 42 6.478 3.326 -4.144 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.249 2.826 -4.689 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.551 3.322 -5.224 1.00 0.00 C ATOM 0 H THR B 42 5.011 2.946 -2.176 1.00 0.00 H new ATOM 0 HA THR B 42 7.150 1.461 -3.290 1.00 0.00 H new ATOM 0 HB THR B 42 6.343 4.351 -3.798 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.505 3.077 -4.103 1.00 0.00 H new ATOM 0 HG21 THR B 42 7.227 3.940 -6.061 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.479 3.722 -4.816 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.716 2.301 -5.569 1.00 0.00 H new ATOM 1926 N HIS B 43 7.914 4.035 -1.376 1.00 0.00 N ATOM 1927 CA HIS B 43 9.011 4.718 -0.688 1.00 0.00 C ATOM 1928 C HIS B 43 9.776 3.750 0.215 1.00 0.00 C ATOM 1929 O HIS B 43 10.961 3.943 0.480 1.00 0.00 O ATOM 1930 CB HIS B 43 8.473 5.900 0.128 1.00 0.00 C ATOM 1931 CG HIS B 43 9.538 6.796 0.694 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.075 7.860 0.001 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.143 6.801 1.908 1.00 0.00 C ATOM 1934 CE1 HIS B 43 10.962 8.475 0.759 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.022 7.856 1.922 1.00 0.00 N ATOM 0 H HIS B 43 6.985 4.361 -1.111 1.00 0.00 H new ATOM 0 HA HIS B 43 9.702 5.097 -1.440 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.814 6.494 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.866 5.515 0.947 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.966 6.104 2.714 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.542 9.341 0.475 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.623 8.118 2.704 1.00 0.00 H new ATOM 1944 N LEU B 44 9.090 2.715 0.688 1.00 0.00 N ATOM 1945 CA LEU B 44 9.734 1.671 1.476 1.00 0.00 C ATOM 1946 C LEU B 44 10.681 0.872 0.591 1.00 0.00 C ATOM 1947 O LEU B 44 11.793 0.518 0.996 1.00 0.00 O ATOM 1948 CB LEU B 44 8.688 0.739 2.095 1.00 0.00 C ATOM 1949 CG LEU B 44 7.689 1.412 3.038 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.659 0.406 3.529 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.410 2.053 4.215 1.00 0.00 C ATOM 0 H LEU B 44 8.090 2.577 0.540 1.00 0.00 H new ATOM 0 HA LEU B 44 10.299 2.140 2.282 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.134 0.256 1.290 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.206 -0.048 2.643 1.00 0.00 H new ATOM 0 HG LEU B 44 7.171 2.196 2.485 1.00 0.00 H new ATOM 0 HD11 LEU B 44 5.956 0.902 4.199 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.119 -0.007 2.677 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.163 -0.399 4.064 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.682 2.526 4.874 1.00 0.00 H new ATOM 0 HD22 LEU B 44 8.956 1.288 4.767 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.109 2.804 3.848 1.00 0.00 H new ATOM 1963 N LEU B 45 10.236 0.612 -0.632 1.00 0.00 N ATOM 1964 CA LEU B 45 11.042 -0.098 -1.616 1.00 0.00 C ATOM 1965 C LEU B 45 12.259 0.730 -2.007 1.00 0.00 C ATOM 1966 O LEU B 45 13.359 0.206 -2.142 1.00 0.00 O ATOM 1967 CB LEU B 45 10.203 -0.407 -2.856 1.00 0.00 C ATOM 1968 CG LEU B 45 9.017 -1.343 -2.622 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.170 -1.457 -3.879 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.504 -2.716 -2.189 1.00 0.00 C ATOM 0 H LEU B 45 9.312 0.885 -0.968 1.00 0.00 H new ATOM 0 HA LEU B 45 11.384 -1.033 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.829 0.532 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.851 -0.850 -3.613 1.00 0.00 H new ATOM 0 HG LEU B 45 8.400 -0.924 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.331 -2.127 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.793 -0.472 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.778 -1.854 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.648 -3.371 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.141 -3.138 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.073 -2.625 -1.263 1.00 0.00 H new ATOM 1982 N GLU B 46 12.050 2.034 -2.156 1.00 0.00 N ATOM 1983 CA GLU B 46 13.115 2.967 -2.525 1.00 0.00 C ATOM 1984 C GLU B 46 14.207 3.034 -1.452 1.00 0.00 C ATOM 1985 O GLU B 46 15.276 3.606 -1.679 1.00 0.00 O ATOM 1986 CB GLU B 46 12.528 4.367 -2.741 1.00 0.00 C ATOM 1987 CG GLU B 46 11.555 4.465 -3.910 1.00 0.00 C ATOM 1988 CD GLU B 46 12.183 5.058 -5.157 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.412 6.288 -5.186 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.437 4.307 -6.123 1.00 0.00 O ATOM 0 H GLU B 46 11.140 2.476 -2.025 1.00 0.00 H new ATOM 0 HA GLU B 46 13.568 2.604 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.016 4.678 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.345 5.070 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU B 46 11.172 3.471 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.701 5.075 -3.615 1.00 0.00 H new ATOM 1997 N ARG B 47 13.948 2.452 -0.289 1.00 0.00 N ATOM 1998 CA ARG B 47 14.877 2.516 0.829 1.00 0.00 C ATOM 1999 C ARG B 47 15.711 1.249 0.947 1.00 0.00 C ATOM 2000 O ARG B 47 16.921 1.263 0.725 1.00 0.00 O ATOM 2001 CB ARG B 47 14.133 2.753 2.140 1.00 0.00 C ATOM 2002 CG ARG B 47 14.018 4.213 2.545 1.00 0.00 C ATOM 2003 CD ARG B 47 15.388 4.828 2.778 1.00 0.00 C ATOM 2004 NE ARG B 47 15.305 6.115 3.463 1.00 0.00 N ATOM 2005 CZ ARG B 47 15.810 7.250 2.984 1.00 0.00 C ATOM 2006 NH1 ARG B 47 16.438 7.260 1.816 1.00 0.00 N ATOM 2007 NH2 ARG B 47 15.696 8.371 3.681 1.00 0.00 N ATOM 0 H ARG B 47 13.095 1.927 -0.095 1.00 0.00 H new ATOM 0 HA ARG B 47 15.547 3.353 0.634 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.131 2.333 2.055 1.00 0.00 H new ATOM 0 HB3 ARG B 47 14.641 2.208 2.935 1.00 0.00 H new ATOM 0 HG2 ARG B 47 13.494 4.769 1.767 1.00 0.00 H new ATOM 0 HG3 ARG B 47 13.420 4.295 3.453 1.00 0.00 H new ATOM 0 HD2 ARG B 47 15.997 4.143 3.368 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.893 4.959 1.821 1.00 0.00 H new ATOM 0 HE ARG B 47 14.830 6.146 4.365 1.00 0.00 H new ATOM 0 HH11 ARG B 47 16.535 6.397 1.282 1.00 0.00 H new ATOM 0 HH12 ARG B 47 16.824 8.131 1.452 1.00 0.00 H new ATOM 0 HH21 ARG B 47 15.222 8.364 4.584 1.00 0.00 H new ATOM 0 HH22 ARG B 47 16.083 9.241 3.315 1.00 0.00 H new ATOM 2021 N LYS B 48 15.057 0.145 1.289 1.00 0.00 N ATOM 2022 CA LYS B 48 15.777 -1.060 1.675 1.00 0.00 C ATOM 2023 C LYS B 48 15.664 -2.169 0.636 1.00 0.00 C ATOM 2024 O LYS B 48 16.149 -3.281 0.856 1.00 0.00 O ATOM 2025 CB LYS B 48 15.257 -1.566 3.027 1.00 0.00 C ATOM 2026 CG LYS B 48 15.433 -0.578 4.175 1.00 0.00 C ATOM 2027 CD LYS B 48 16.787 -0.718 4.868 1.00 0.00 C ATOM 2028 CE LYS B 48 17.953 -0.395 3.946 1.00 0.00 C ATOM 2029 NZ LYS B 48 19.259 -0.505 4.649 1.00 0.00 N ATOM 0 H LYS B 48 14.041 0.060 1.307 1.00 0.00 H new ATOM 0 HA LYS B 48 16.831 -0.793 1.751 1.00 0.00 H new ATOM 0 HB2 LYS B 48 14.198 -1.807 2.929 1.00 0.00 H new ATOM 0 HB3 LYS B 48 15.773 -2.493 3.278 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.327 0.438 3.795 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.638 -0.730 4.905 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.818 -0.055 5.733 1.00 0.00 H new ATOM 0 HD3 LYS B 48 16.896 -1.736 5.242 1.00 0.00 H new ATOM 0 HE2 LYS B 48 17.941 -1.074 3.093 1.00 0.00 H new ATOM 0 HE3 LYS B 48 17.836 0.615 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 20.029 -0.278 3.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 19.280 0.161 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 19.382 -1.475 5.003 1.00 0.00 H new ATOM 2043 N VAL B 49 15.032 -1.879 -0.489 1.00 0.00 N ATOM 2044 CA VAL B 49 14.833 -2.888 -1.517 1.00 0.00 C ATOM 2045 C VAL B 49 15.411 -2.434 -2.854 1.00 0.00 C ATOM 2046 O VAL B 49 14.841 -1.571 -3.520 1.00 0.00 O ATOM 2047 CB VAL B 49 13.337 -3.226 -1.693 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.154 -4.359 -2.691 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.700 -3.581 -0.356 1.00 0.00 C ATOM 0 H VAL B 49 14.650 -0.960 -0.713 1.00 0.00 H new ATOM 0 HA VAL B 49 15.359 -3.784 -1.188 1.00 0.00 H new ATOM 0 HB VAL B 49 12.835 -2.341 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.092 -4.580 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL B 49 13.563 -4.063 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.675 -5.247 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.646 -3.815 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.207 -4.447 0.070 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.790 -2.736 0.326 1.00 0.00 H new ATOM 2059 N PRO B 50 16.558 -2.997 -3.261 1.00 0.00 N ATOM 2060 CA PRO B 50 17.167 -2.700 -4.563 1.00 0.00 C ATOM 2061 C PRO B 50 16.198 -2.990 -5.706 1.00 0.00 C ATOM 2062 O PRO B 50 15.360 -3.883 -5.594 1.00 0.00 O ATOM 2063 CB PRO B 50 18.370 -3.647 -4.624 1.00 0.00 C ATOM 2064 CG PRO B 50 18.674 -3.975 -3.203 1.00 0.00 C ATOM 2065 CD PRO B 50 17.354 -3.964 -2.487 1.00 0.00 C ATOM 0 HA PRO B 50 17.442 -1.650 -4.665 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.137 -4.545 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.222 -3.172 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO B 50 19.155 -4.950 -3.121 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.359 -3.245 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.892 -4.951 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.463 -3.655 -1.447 1.00 0.00 H new ATOM 2073 N SER B 51 16.315 -2.240 -6.797 1.00 0.00 N ATOM 2074 CA SER B 51 15.406 -2.368 -7.934 1.00 0.00 C ATOM 2075 C SER B 51 15.344 -3.808 -8.444 1.00 0.00 C ATOM 2076 O SER B 51 14.294 -4.270 -8.891 1.00 0.00 O ATOM 2077 CB SER B 51 15.844 -1.430 -9.058 1.00 0.00 C ATOM 2078 OG SER B 51 16.051 -0.117 -8.566 1.00 0.00 O ATOM 0 H SER B 51 17.037 -1.530 -6.919 1.00 0.00 H new ATOM 0 HA SER B 51 14.406 -2.091 -7.599 1.00 0.00 H new ATOM 0 HB2 SER B 51 16.763 -1.802 -9.511 1.00 0.00 H new ATOM 0 HB3 SER B 51 15.086 -1.414 -9.841 1.00 0.00 H new ATOM 0 HG SER B 51 16.332 0.467 -9.301 1.00 0.00 H new ATOM 2084 N GLU B 52 16.471 -4.509 -8.348 1.00 0.00 N ATOM 2085 CA GLU B 52 16.557 -5.911 -8.743 1.00 0.00 C ATOM 2086 C GLU B 52 15.482 -6.741 -8.037 1.00 0.00 C ATOM 2087 O GLU B 52 14.753 -7.507 -8.669 1.00 0.00 O ATOM 2088 CB GLU B 52 17.945 -6.450 -8.393 1.00 0.00 C ATOM 2089 CG GLU B 52 18.178 -7.892 -8.807 1.00 0.00 C ATOM 2090 CD GLU B 52 19.486 -8.431 -8.274 1.00 0.00 C ATOM 2091 OE1 GLU B 52 20.537 -8.196 -8.906 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.473 -9.073 -7.202 1.00 0.00 O ATOM 0 H GLU B 52 17.347 -4.122 -7.996 1.00 0.00 H new ATOM 0 HA GLU B 52 16.393 -5.985 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU B 52 18.697 -5.821 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU B 52 18.094 -6.365 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU B 52 17.357 -8.510 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.174 -7.962 -9.895 1.00 0.00 H new ATOM 2099 N SER B 53 15.383 -6.567 -6.726 1.00 0.00 N ATOM 2100 CA SER B 53 14.416 -7.298 -5.923 1.00 0.00 C ATOM 2101 C SER B 53 13.066 -6.584 -5.931 1.00 0.00 C ATOM 2102 O SER B 53 12.016 -7.213 -5.814 1.00 0.00 O ATOM 2103 CB SER B 53 14.933 -7.417 -4.490 1.00 0.00 C ATOM 2104 OG SER B 53 16.322 -7.702 -4.474 1.00 0.00 O ATOM 0 H SER B 53 15.966 -5.921 -6.194 1.00 0.00 H new ATOM 0 HA SER B 53 14.283 -8.293 -6.347 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.742 -6.488 -3.952 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.390 -8.205 -3.968 1.00 0.00 H new ATOM 0 HG SER B 53 16.631 -7.772 -3.547 1.00 0.00 H new ATOM 2110 N ARG B 54 13.113 -5.264 -6.085 1.00 0.00 N ATOM 2111 CA ARG B 54 11.925 -4.416 -6.035 1.00 0.00 C ATOM 2112 C ARG B 54 10.882 -4.860 -7.056 1.00 0.00 C ATOM 2113 O ARG B 54 9.684 -4.824 -6.781 1.00 0.00 O ATOM 2114 CB ARG B 54 12.331 -2.963 -6.289 1.00 0.00 C ATOM 2115 CG ARG B 54 11.284 -1.937 -5.896 1.00 0.00 C ATOM 2116 CD ARG B 54 11.812 -0.526 -6.086 1.00 0.00 C ATOM 2117 NE ARG B 54 13.093 -0.335 -5.409 1.00 0.00 N ATOM 2118 CZ ARG B 54 13.940 0.649 -5.684 1.00 0.00 C ATOM 2119 NH1 ARG B 54 13.618 1.580 -6.568 1.00 0.00 N ATOM 2120 NH2 ARG B 54 15.101 0.710 -5.050 1.00 0.00 N ATOM 0 H ARG B 54 13.979 -4.750 -6.249 1.00 0.00 H new ATOM 0 HA ARG B 54 11.476 -4.505 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.249 -2.755 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG B 54 12.559 -2.843 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.386 -2.078 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG B 54 10.996 -2.085 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG B 54 11.928 -0.321 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG B 54 11.086 0.190 -5.701 1.00 0.00 H new ATOM 0 HE ARG B 54 13.352 -0.999 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG B 54 12.715 1.543 -7.041 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.273 2.334 -6.776 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.340 0.003 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG B 54 15.756 1.464 -5.257 1.00 0.00 H new ATOM 2134 N GLN B 55 11.349 -5.288 -8.224 1.00 0.00 N ATOM 2135 CA GLN B 55 10.464 -5.787 -9.272 1.00 0.00 C ATOM 2136 C GLN B 55 9.664 -6.991 -8.777 1.00 0.00 C ATOM 2137 O GLN B 55 8.452 -7.078 -8.989 1.00 0.00 O ATOM 2138 CB GLN B 55 11.273 -6.179 -10.510 1.00 0.00 C ATOM 2139 CG GLN B 55 11.996 -5.017 -11.174 1.00 0.00 C ATOM 2140 CD GLN B 55 12.912 -5.475 -12.292 1.00 0.00 C ATOM 2141 OE1 GLN B 55 14.088 -5.761 -12.072 1.00 0.00 O ATOM 2142 NE2 GLN B 55 12.376 -5.562 -13.499 1.00 0.00 N ATOM 0 H GLN B 55 12.339 -5.300 -8.470 1.00 0.00 H new ATOM 0 HA GLN B 55 9.770 -4.989 -9.536 1.00 0.00 H new ATOM 0 HB2 GLN B 55 12.006 -6.935 -10.227 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.604 -6.640 -11.237 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.263 -4.315 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.579 -4.479 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN B 55 11.396 -5.316 -13.641 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.942 -5.875 -14.287 1.00 0.00 H new ATOM 2151 N ALA B 56 10.345 -7.907 -8.098 1.00 0.00 N ATOM 2152 CA ALA B 56 9.708 -9.121 -7.606 1.00 0.00 C ATOM 2153 C ALA B 56 8.849 -8.834 -6.383 1.00 0.00 C ATOM 2154 O ALA B 56 7.783 -9.423 -6.218 1.00 0.00 O ATOM 2155 CB ALA B 56 10.746 -10.185 -7.291 1.00 0.00 C ATOM 0 H ALA B 56 11.338 -7.831 -7.876 1.00 0.00 H new ATOM 0 HA ALA B 56 9.057 -9.498 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.247 -11.083 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.307 -10.424 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.429 -9.812 -6.527 1.00 0.00 H new ATOM 2161 N VAL B 57 9.311 -7.925 -5.529 1.00 0.00 N ATOM 2162 CA VAL B 57 8.546 -7.530 -4.351 1.00 0.00 C ATOM 2163 C VAL B 57 7.243 -6.851 -4.766 1.00 0.00 C ATOM 2164 O VAL B 57 6.192 -7.088 -4.171 1.00 0.00 O ATOM 2165 CB VAL B 57 9.347 -6.587 -3.423 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.509 -6.172 -2.221 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.634 -7.251 -2.961 1.00 0.00 C ATOM 0 H VAL B 57 10.208 -7.450 -5.630 1.00 0.00 H new ATOM 0 HA VAL B 57 8.327 -8.441 -3.794 1.00 0.00 H new ATOM 0 HB VAL B 57 9.603 -5.693 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.092 -5.509 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.615 -5.652 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.219 -7.058 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.181 -6.570 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.397 -8.164 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.248 -7.496 -3.827 1.00 0.00 H new ATOM 2177 N ALA B 58 7.316 -6.022 -5.803 1.00 0.00 N ATOM 2178 CA ALA B 58 6.130 -5.368 -6.342 1.00 0.00 C ATOM 2179 C ALA B 58 5.131 -6.406 -6.842 1.00 0.00 C ATOM 2180 O ALA B 58 3.925 -6.277 -6.632 1.00 0.00 O ATOM 2181 CB ALA B 58 6.512 -4.411 -7.461 1.00 0.00 C ATOM 0 H ALA B 58 8.183 -5.788 -6.286 1.00 0.00 H new ATOM 0 HA ALA B 58 5.659 -4.793 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.615 -3.931 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.190 -3.651 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.005 -4.964 -8.260 1.00 0.00 H new ATOM 2187 N GLU B 59 5.646 -7.442 -7.494 1.00 0.00 N ATOM 2188 CA GLU B 59 4.809 -8.532 -7.977 1.00 0.00 C ATOM 2189 C GLU B 59 4.257 -9.344 -6.807 1.00 0.00 C ATOM 2190 O GLU B 59 3.100 -9.755 -6.821 1.00 0.00 O ATOM 2191 CB GLU B 59 5.604 -9.440 -8.915 1.00 0.00 C ATOM 2192 CG GLU B 59 5.020 -9.531 -10.315 1.00 0.00 C ATOM 2193 CD GLU B 59 3.573 -9.990 -10.317 1.00 0.00 C ATOM 2194 OE1 GLU B 59 3.323 -11.181 -10.034 1.00 0.00 O ATOM 2195 OE2 GLU B 59 2.681 -9.160 -10.591 1.00 0.00 O ATOM 0 H GLU B 59 6.639 -7.549 -7.700 1.00 0.00 H new ATOM 0 HA GLU B 59 3.973 -8.102 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.628 -9.072 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.651 -10.440 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU B 59 5.088 -8.556 -10.797 1.00 0.00 H new ATOM 0 HG3 GLU B 59 5.617 -10.223 -10.909 1.00 0.00 H new ATOM 2202 N GLN B 60 5.092 -9.566 -5.796 1.00 0.00 N ATOM 2203 CA GLN B 60 4.675 -10.279 -4.593 1.00 0.00 C ATOM 2204 C GLN B 60 3.532 -9.531 -3.921 1.00 0.00 C ATOM 2205 O GLN B 60 2.554 -10.130 -3.467 1.00 0.00 O ATOM 2206 CB GLN B 60 5.845 -10.406 -3.615 1.00 0.00 C ATOM 2207 CG GLN B 60 6.012 -11.801 -3.037 1.00 0.00 C ATOM 2208 CD GLN B 60 6.629 -12.766 -4.031 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.431 -12.373 -4.877 1.00 0.00 O ATOM 2210 NE2 GLN B 60 6.263 -14.031 -3.942 1.00 0.00 N ATOM 0 H GLN B 60 6.065 -9.261 -5.786 1.00 0.00 H new ATOM 0 HA GLN B 60 4.342 -11.277 -4.878 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.765 -10.122 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.702 -9.699 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.639 -11.750 -2.146 1.00 0.00 H new ATOM 0 HG3 GLN B 60 5.040 -12.180 -2.722 1.00 0.00 H new ATOM 0 HE21 GLN B 60 5.595 -14.320 -3.227 1.00 0.00 H new ATOM 0 HE22 GLN B 60 6.648 -14.720 -4.588 1.00 0.00 H new ATOM 2219 N PHE B 61 3.671 -8.213 -3.874 1.00 0.00 N ATOM 2220 CA PHE B 61 2.654 -7.347 -3.303 1.00 0.00 C ATOM 2221 C PHE B 61 1.375 -7.421 -4.129 1.00 0.00 C ATOM 2222 O PHE B 61 0.279 -7.540 -3.582 1.00 0.00 O ATOM 2223 CB PHE B 61 3.171 -5.907 -3.246 1.00 0.00 C ATOM 2224 CG PHE B 61 2.283 -4.970 -2.479 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.300 -4.966 -1.095 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.442 -4.088 -3.138 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.492 -4.103 -0.382 1.00 0.00 C ATOM 2228 CE2 PHE B 61 0.631 -3.223 -2.430 1.00 0.00 C ATOM 2229 CZ PHE B 61 0.658 -3.229 -1.050 1.00 0.00 C ATOM 0 H PHE B 61 4.489 -7.718 -4.229 1.00 0.00 H new ATOM 0 HA PHE B 61 2.430 -7.681 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.162 -5.905 -2.792 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.285 -5.532 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.953 -5.646 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.420 -4.077 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.512 -4.112 0.698 1.00 0.00 H new ATOM 0 HE2 PHE B 61 -0.023 -2.543 -2.955 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.028 -2.551 -0.494 1.00 0.00 H new ATOM 2239 N ALA B 62 1.527 -7.361 -5.450 1.00 0.00 N ATOM 2240 CA ALA B 62 0.394 -7.462 -6.363 1.00 0.00 C ATOM 2241 C ALA B 62 -0.332 -8.791 -6.184 1.00 0.00 C ATOM 2242 O ALA B 62 -1.565 -8.843 -6.203 1.00 0.00 O ATOM 2243 CB ALA B 62 0.856 -7.299 -7.804 1.00 0.00 C ATOM 0 H ALA B 62 2.428 -7.242 -5.912 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.304 -6.659 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.002 -7.377 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.325 -6.323 -7.928 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.576 -8.080 -8.046 1.00 0.00 H new ATOM 2249 N LYS B 63 0.439 -9.862 -6.011 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.122 -11.179 -5.739 1.00 0.00 C ATOM 2251 C LYS B 63 -0.980 -11.141 -4.479 1.00 0.00 C ATOM 2252 O LYS B 63 -2.183 -11.407 -4.529 1.00 0.00 O ATOM 2253 CB LYS B 63 0.988 -12.224 -5.573 1.00 0.00 C ATOM 2254 CG LYS B 63 1.729 -12.569 -6.857 1.00 0.00 C ATOM 2255 CD LYS B 63 2.776 -13.645 -6.609 1.00 0.00 C ATOM 2256 CE LYS B 63 3.409 -14.142 -7.902 1.00 0.00 C ATOM 2257 NZ LYS B 63 4.237 -13.101 -8.566 1.00 0.00 N ATOM 0 H LYS B 63 1.458 -9.841 -6.055 1.00 0.00 H new ATOM 0 HA LYS B 63 -0.743 -11.460 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.708 -11.858 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.553 -13.136 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.019 -12.913 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS B 63 2.208 -11.675 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.553 -13.249 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS B 63 2.316 -14.483 -6.086 1.00 0.00 H new ATOM 0 HE2 LYS B 63 4.028 -15.013 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.625 -14.468 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 4.924 -13.556 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 3.623 -12.468 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 4.744 -12.549 -7.845 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.356 -10.776 -3.364 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.021 -10.762 -2.066 1.00 0.00 C ATOM 2273 C ALA B 64 -2.247 -9.854 -2.066 1.00 0.00 C ATOM 2274 O ALA B 64 -3.324 -10.255 -1.624 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.044 -10.325 -0.985 1.00 0.00 C ATOM 0 H ALA B 64 0.620 -10.483 -3.334 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.363 -11.776 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.549 -10.318 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.795 -11.020 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.324 -9.324 -1.210 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.080 -8.641 -2.580 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.139 -7.638 -2.562 1.00 0.00 C ATOM 2283 C LEU B 65 -4.374 -8.134 -3.315 1.00 0.00 C ATOM 2284 O LEU B 65 -5.477 -8.180 -2.765 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.632 -6.338 -3.195 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.222 -5.048 -2.624 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.747 -4.833 -1.196 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.837 -3.859 -3.491 1.00 0.00 C ATOM 0 H LEU B 65 -1.214 -8.326 -3.018 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.420 -7.453 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.548 -6.300 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.842 -6.370 -4.264 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.308 -5.139 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.176 -3.911 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.064 -5.672 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.659 -4.762 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.265 -2.949 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.751 -3.768 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.219 -4.007 -4.501 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.175 -8.537 -4.567 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.281 -8.952 -5.422 1.00 0.00 C ATOM 2302 C ALA B 66 -5.945 -10.224 -4.905 1.00 0.00 C ATOM 2303 O ALA B 66 -7.171 -10.341 -4.924 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.805 -9.146 -6.852 1.00 0.00 C ATOM 0 H ALA B 66 -3.258 -8.585 -5.011 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.027 -8.158 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.644 -9.456 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.398 -8.208 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.031 -9.914 -6.877 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.140 -11.171 -4.430 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.673 -12.434 -3.925 1.00 0.00 C ATOM 2312 C GLN B 67 -6.485 -12.217 -2.650 1.00 0.00 C ATOM 2313 O GLN B 67 -7.441 -12.946 -2.386 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.549 -13.447 -3.683 1.00 0.00 C ATOM 2315 CG GLN B 67 -3.931 -13.980 -4.968 1.00 0.00 C ATOM 2316 CD GLN B 67 -2.791 -14.949 -4.721 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -1.630 -14.551 -4.629 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -3.110 -16.230 -4.622 1.00 0.00 N ATOM 0 H GLN B 67 -4.124 -11.090 -4.384 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.339 -12.840 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.771 -12.978 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -4.941 -14.282 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -4.702 -14.478 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.566 -13.143 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -4.084 -16.521 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -2.382 -16.926 -4.464 1.00 0.00 H new ATOM 2327 N SER B 68 -6.120 -11.203 -1.873 1.00 0.00 N ATOM 2328 CA SER B 68 -6.875 -10.857 -0.676 1.00 0.00 C ATOM 2329 C SER B 68 -8.266 -10.352 -1.058 1.00 0.00 C ATOM 2330 O SER B 68 -9.264 -10.706 -0.425 1.00 0.00 O ATOM 2331 CB SER B 68 -6.127 -9.803 0.144 1.00 0.00 C ATOM 2332 OG SER B 68 -4.850 -10.281 0.538 1.00 0.00 O ATOM 0 H SER B 68 -5.310 -10.609 -2.050 1.00 0.00 H new ATOM 0 HA SER B 68 -6.986 -11.751 -0.063 1.00 0.00 H new ATOM 0 HB2 SER B 68 -6.013 -8.892 -0.444 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.710 -9.542 1.027 1.00 0.00 H new ATOM 0 HG SER B 68 -4.176 -9.987 -0.110 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.329 -9.545 -2.113 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.603 -9.046 -2.620 1.00 0.00 C ATOM 2340 C VAL B 69 -10.439 -10.191 -3.189 1.00 0.00 C ATOM 2341 O VAL B 69 -11.609 -10.360 -2.839 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.399 -7.973 -3.714 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.736 -7.458 -4.228 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.551 -6.823 -3.191 1.00 0.00 C ATOM 0 H VAL B 69 -7.513 -9.223 -2.633 1.00 0.00 H new ATOM 0 HA VAL B 69 -10.128 -8.591 -1.780 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.871 -8.439 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.564 -6.704 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.306 -8.285 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.296 -7.015 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.421 -6.080 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -9.048 -6.363 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.576 -7.201 -2.883 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.819 -10.998 -4.046 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.505 -12.107 -4.701 1.00 0.00 C ATOM 2356 C LYS B 70 -10.987 -13.147 -3.690 1.00 0.00 C ATOM 2357 O LYS B 70 -11.954 -13.863 -3.942 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.587 -12.766 -5.731 1.00 0.00 C ATOM 2359 CG LYS B 70 -9.210 -11.845 -6.881 1.00 0.00 C ATOM 2360 CD LYS B 70 -8.281 -12.533 -7.866 1.00 0.00 C ATOM 2361 CE LYS B 70 -7.900 -11.606 -9.009 1.00 0.00 C ATOM 2362 NZ LYS B 70 -6.995 -12.268 -9.983 1.00 0.00 N ATOM 0 H LYS B 70 -8.837 -10.903 -4.304 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.380 -11.700 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.678 -13.104 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -10.080 -13.652 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -10.113 -11.519 -7.398 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.727 -10.950 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.381 -12.864 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.766 -13.424 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.802 -11.272 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.413 -10.717 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -6.759 -11.602 -10.746 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -6.123 -12.564 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.468 -13.102 -10.385 1.00 0.00 H new ATOM 2376 N SER B 71 -10.320 -13.209 -2.540 1.00 0.00 N ATOM 2377 CA SER B 71 -10.690 -14.148 -1.484 1.00 0.00 C ATOM 2378 C SER B 71 -12.073 -13.823 -0.920 1.00 0.00 C ATOM 2379 O SER B 71 -12.703 -14.667 -0.284 1.00 0.00 O ATOM 2380 CB SER B 71 -9.646 -14.130 -0.359 1.00 0.00 C ATOM 2381 OG SER B 71 -9.948 -15.089 0.644 1.00 0.00 O ATOM 0 H SER B 71 -9.519 -12.619 -2.315 1.00 0.00 H new ATOM 0 HA SER B 71 -10.723 -15.146 -1.920 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.659 -14.334 -0.774 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.606 -13.136 0.086 1.00 0.00 H new ATOM 0 HG SER B 71 -9.265 -15.055 1.346 1.00 0.00 H new