USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 52 THR OG1 : rot -66:sc= 1.18 USER MOD Set 1.2: A 58 SER OG : rot -84:sc= -0.469 USER MOD Set 2.1: A 49 TYR OH : rot 15:sc= -1.75! USER MOD Set 2.2: A 62 SER OG : rot -149:sc= 0.896 USER MOD Single : A 11 SER OG : rot -59:sc= 0.0785 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.5!) USER MOD Single : A 22 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.2) USER MOD Single : A 30 GLN : amide:sc= -4.1! C(o=-4.1!,f=-5.4!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 53 THR OG1 : rot -18:sc= 0.127 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -165:sc= 1.22 USER MOD Single : A 63 TYR OH : rot -178:sc= 1.12 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 159:sc= -4.64! (180deg=-5.61!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.609 -12.906 -5.919 1.00 0.00 N ATOM 88 CA LEU A 10 2.658 -11.971 -6.310 1.00 0.00 C ATOM 89 C LEU A 10 4.018 -12.432 -5.795 1.00 0.00 C ATOM 90 O LEU A 10 4.145 -12.864 -4.650 1.00 0.00 O ATOM 91 CB LEU A 10 2.346 -10.571 -5.777 1.00 0.00 C ATOM 92 CG LEU A 10 1.295 -9.777 -6.553 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.989 -8.465 -5.847 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.764 -9.521 -7.978 1.00 0.00 C ATOM 0 HA LEU A 10 2.694 -11.939 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.013 -10.663 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.271 -9.995 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 10 0.379 -10.367 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.239 -7.913 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.609 -8.670 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.899 -7.870 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.003 -8.955 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.694 -8.952 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.932 -10.473 -8.482 1.00 0.00 H new ATOM 106 N SER A 11 5.032 -12.333 -6.649 1.00 0.00 N ATOM 107 CA SER A 11 6.383 -12.742 -6.281 1.00 0.00 C ATOM 108 C SER A 11 7.073 -11.658 -5.458 1.00 0.00 C ATOM 109 O SER A 11 8.195 -11.250 -5.763 1.00 0.00 O ATOM 110 CB SER A 11 7.205 -13.048 -7.534 1.00 0.00 C ATOM 111 OG SER A 11 8.398 -13.738 -7.205 1.00 0.00 O ATOM 0 H SER A 11 4.944 -11.974 -7.599 1.00 0.00 H new ATOM 0 HA SER A 11 6.311 -13.644 -5.674 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.612 -13.649 -8.224 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.449 -12.119 -8.049 1.00 0.00 H new ATOM 0 HG SER A 11 8.930 -13.195 -6.587 1.00 0.00 H new ATOM 117 N LEU A 12 6.395 -11.195 -4.414 1.00 0.00 N ATOM 118 CA LEU A 12 6.941 -10.157 -3.546 1.00 0.00 C ATOM 119 C LEU A 12 7.405 -10.747 -2.218 1.00 0.00 C ATOM 120 O LEU A 12 7.085 -11.889 -1.889 1.00 0.00 O ATOM 121 CB LEU A 12 5.894 -9.070 -3.296 1.00 0.00 C ATOM 122 CG LEU A 12 5.722 -8.036 -4.410 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.378 -7.336 -4.284 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.858 -7.024 -4.377 1.00 0.00 C ATOM 0 H LEU A 12 5.466 -11.522 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 12 7.802 -9.715 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.932 -9.553 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.156 -8.545 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 12 5.751 -8.553 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.273 -6.604 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.577 -8.071 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.320 -6.830 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.720 -6.296 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.861 -6.511 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.808 -7.539 -4.516 1.00 0.00 H new ATOM 136 N GLY A 13 8.159 -9.960 -1.457 1.00 0.00 N ATOM 137 CA GLY A 13 8.652 -10.421 -0.173 1.00 0.00 C ATOM 138 C GLY A 13 7.850 -9.868 0.989 1.00 0.00 C ATOM 139 O GLY A 13 7.421 -8.714 0.962 1.00 0.00 O ATOM 0 H GLY A 13 8.437 -9.011 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.622 -11.510 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.696 -10.128 -0.062 1.00 0.00 H new ATOM 143 N ASP A 14 7.646 -10.692 2.010 1.00 0.00 N ATOM 144 CA ASP A 14 6.890 -10.279 3.187 1.00 0.00 C ATOM 145 C ASP A 14 7.220 -8.840 3.568 1.00 0.00 C ATOM 146 O ASP A 14 6.369 -7.953 3.490 1.00 0.00 O ATOM 147 CB ASP A 14 7.185 -11.212 4.363 1.00 0.00 C ATOM 148 CG ASP A 14 7.175 -12.673 3.959 1.00 0.00 C ATOM 149 OD1 ASP A 14 6.073 -13.246 3.835 1.00 0.00 O ATOM 150 OD2 ASP A 14 8.269 -13.244 3.769 1.00 0.00 O ATOM 0 H ASP A 14 7.993 -11.650 2.047 1.00 0.00 H new ATOM 0 HA ASP A 14 5.829 -10.337 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.158 -10.962 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.445 -11.050 5.147 1.00 0.00 H new ATOM 155 N THR A 15 8.463 -8.613 3.982 1.00 0.00 N ATOM 156 CA THR A 15 8.906 -7.282 4.377 1.00 0.00 C ATOM 157 C THR A 15 8.501 -6.238 3.343 1.00 0.00 C ATOM 158 O THR A 15 7.752 -5.309 3.645 1.00 0.00 O ATOM 159 CB THR A 15 10.433 -7.232 4.570 1.00 0.00 C ATOM 160 OG1 THR A 15 10.882 -8.417 5.237 1.00 0.00 O ATOM 161 CG2 THR A 15 10.838 -6.006 5.375 1.00 0.00 C ATOM 0 H THR A 15 9.181 -9.334 4.052 1.00 0.00 H new ATOM 0 HA THR A 15 8.420 -7.056 5.326 1.00 0.00 H new ATOM 0 HB THR A 15 10.899 -7.171 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.854 -8.378 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.921 -5.993 5.498 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.522 -5.105 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.362 -6.041 6.355 1.00 0.00 H new ATOM 169 N ALA A 16 9.001 -6.396 2.122 1.00 0.00 N ATOM 170 CA ALA A 16 8.688 -5.468 1.042 1.00 0.00 C ATOM 171 C ALA A 16 7.240 -4.998 1.124 1.00 0.00 C ATOM 172 O ALA A 16 6.968 -3.799 1.186 1.00 0.00 O ATOM 173 CB ALA A 16 8.959 -6.118 -0.307 1.00 0.00 C ATOM 0 H ALA A 16 9.625 -7.158 1.856 1.00 0.00 H new ATOM 0 HA ALA A 16 9.332 -4.595 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.721 -5.414 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.011 -6.397 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.340 -7.009 -0.413 1.00 0.00 H new ATOM 179 N LEU A 17 6.313 -5.950 1.122 1.00 0.00 N ATOM 180 CA LEU A 17 4.891 -5.634 1.196 1.00 0.00 C ATOM 181 C LEU A 17 4.593 -4.740 2.396 1.00 0.00 C ATOM 182 O LEU A 17 4.215 -3.580 2.238 1.00 0.00 O ATOM 183 CB LEU A 17 4.066 -6.919 1.285 1.00 0.00 C ATOM 184 CG LEU A 17 3.808 -7.643 -0.036 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.089 -8.961 0.209 1.00 0.00 C ATOM 186 CD2 LEU A 17 3.002 -6.762 -0.979 1.00 0.00 C ATOM 0 H LEU A 17 6.521 -6.947 1.070 1.00 0.00 H new ATOM 0 HA LEU A 17 4.616 -5.096 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.574 -7.607 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.104 -6.679 1.739 1.00 0.00 H new ATOM 0 HG LEU A 17 4.769 -7.858 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.914 -9.462 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.703 -9.597 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.134 -8.769 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.828 -7.294 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.045 -6.516 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.554 -5.844 -1.181 1.00 0.00 H new ATOM 198 N GLN A 18 4.769 -5.289 3.594 1.00 0.00 N ATOM 199 CA GLN A 18 4.520 -4.541 4.820 1.00 0.00 C ATOM 200 C GLN A 18 4.916 -3.077 4.654 1.00 0.00 C ATOM 201 O GLN A 18 4.191 -2.177 5.076 1.00 0.00 O ATOM 202 CB GLN A 18 5.292 -5.161 5.986 1.00 0.00 C ATOM 203 CG GLN A 18 4.515 -6.239 6.725 1.00 0.00 C ATOM 204 CD GLN A 18 5.163 -6.627 8.040 1.00 0.00 C ATOM 205 OE1 GLN A 18 6.207 -7.279 8.062 1.00 0.00 O ATOM 206 NE2 GLN A 18 4.545 -6.227 9.145 1.00 0.00 N ATOM 0 H GLN A 18 5.083 -6.248 3.741 1.00 0.00 H new ATOM 0 HA GLN A 18 3.452 -4.588 5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.221 -5.588 5.609 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.565 -4.374 6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.501 -5.886 6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.432 -7.122 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.681 -5.688 9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.934 -6.458 10.059 1.00 0.00 H new ATOM 215 N ASN A 19 6.071 -2.847 4.038 1.00 0.00 N ATOM 216 CA ASN A 19 6.563 -1.492 3.817 1.00 0.00 C ATOM 217 C ASN A 19 5.664 -0.739 2.841 1.00 0.00 C ATOM 218 O ASN A 19 5.316 0.420 3.069 1.00 0.00 O ATOM 219 CB ASN A 19 7.996 -1.529 3.284 1.00 0.00 C ATOM 220 CG ASN A 19 9.004 -1.889 4.358 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.681 -1.910 5.546 1.00 0.00 O ATOM 222 ND2 ASN A 19 10.233 -2.175 3.944 1.00 0.00 N ATOM 0 H ASN A 19 6.684 -3.581 3.683 1.00 0.00 H new ATOM 0 HA ASN A 19 6.551 -0.967 4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.060 -2.254 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.249 -0.556 2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.954 -2.425 4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.456 -2.145 2.949 1.00 0.00 H new ATOM 229 N LEU A 20 5.291 -1.406 1.755 1.00 0.00 N ATOM 230 CA LEU A 20 4.431 -0.800 0.743 1.00 0.00 C ATOM 231 C LEU A 20 3.079 -0.419 1.336 1.00 0.00 C ATOM 232 O LEU A 20 2.557 0.663 1.069 1.00 0.00 O ATOM 233 CB LEU A 20 4.234 -1.763 -0.429 1.00 0.00 C ATOM 234 CG LEU A 20 4.013 -1.117 -1.798 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.785 -0.220 -1.772 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.243 -0.328 -2.221 1.00 0.00 C ATOM 0 H LEU A 20 5.570 -2.366 1.552 1.00 0.00 H new ATOM 0 HA LEU A 20 4.917 0.106 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.108 -2.411 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.379 -2.402 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 20 3.845 -1.908 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.643 0.231 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.907 -0.812 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.924 0.565 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.067 0.124 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.443 0.455 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.102 -0.997 -2.280 1.00 0.00 H new ATOM 248 N GLU A 21 2.518 -1.314 2.142 1.00 0.00 N ATOM 249 CA GLU A 21 1.226 -1.070 2.773 1.00 0.00 C ATOM 250 C GLU A 21 1.189 0.313 3.418 1.00 0.00 C ATOM 251 O GLU A 21 0.309 1.122 3.124 1.00 0.00 O ATOM 252 CB GLU A 21 0.936 -2.142 3.825 1.00 0.00 C ATOM 253 CG GLU A 21 1.205 -3.558 3.341 1.00 0.00 C ATOM 254 CD GLU A 21 0.597 -3.834 1.980 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.350 -3.116 1.595 1.00 0.00 O ATOM 256 OE2 GLU A 21 1.068 -4.769 1.299 1.00 0.00 O ATOM 0 H GLU A 21 2.937 -2.214 2.374 1.00 0.00 H new ATOM 0 HA GLU A 21 0.459 -1.113 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.545 -1.947 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.107 -2.064 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.281 -3.724 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.804 -4.268 4.065 1.00 0.00 H new ATOM 263 N GLN A 22 2.150 0.576 4.298 1.00 0.00 N ATOM 264 CA GLN A 22 2.226 1.860 4.985 1.00 0.00 C ATOM 265 C GLN A 22 2.672 2.962 4.030 1.00 0.00 C ATOM 266 O GLN A 22 2.098 4.052 4.012 1.00 0.00 O ATOM 267 CB GLN A 22 3.190 1.772 6.169 1.00 0.00 C ATOM 268 CG GLN A 22 2.823 0.693 7.175 1.00 0.00 C ATOM 269 CD GLN A 22 1.468 0.927 7.813 1.00 0.00 C ATOM 270 OE1 GLN A 22 0.430 0.760 7.172 1.00 0.00 O ATOM 271 NE2 GLN A 22 1.470 1.317 9.082 1.00 0.00 N ATOM 0 H GLN A 22 2.886 -0.083 4.552 1.00 0.00 H new ATOM 0 HA GLN A 22 1.231 2.106 5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.196 1.581 5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.217 2.736 6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.824 -0.277 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.585 0.653 7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.354 1.443 9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.588 1.491 9.564 1.00 0.00 H new ATOM 280 N LEU A 23 3.699 2.672 3.239 1.00 0.00 N ATOM 281 CA LEU A 23 4.223 3.640 2.281 1.00 0.00 C ATOM 282 C LEU A 23 3.090 4.382 1.581 1.00 0.00 C ATOM 283 O LEU A 23 3.239 5.541 1.193 1.00 0.00 O ATOM 284 CB LEU A 23 5.104 2.937 1.247 1.00 0.00 C ATOM 285 CG LEU A 23 6.571 2.744 1.633 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.266 1.820 0.646 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.284 4.086 1.705 1.00 0.00 C ATOM 0 H LEU A 23 4.185 1.775 3.242 1.00 0.00 H new ATOM 0 HA LEU A 23 4.824 4.367 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.673 1.958 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.066 3.507 0.319 1.00 0.00 H new ATOM 0 HG LEU A 23 6.610 2.282 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.309 1.695 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.770 0.849 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.218 2.253 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.327 3.930 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.236 4.576 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.801 4.715 2.453 1.00 0.00 H new ATOM 299 N LEU A 24 1.956 3.707 1.424 1.00 0.00 N ATOM 300 CA LEU A 24 0.795 4.303 0.772 1.00 0.00 C ATOM 301 C LEU A 24 -0.062 5.067 1.777 1.00 0.00 C ATOM 302 O LEU A 24 -0.650 6.097 1.450 1.00 0.00 O ATOM 303 CB LEU A 24 -0.043 3.221 0.089 1.00 0.00 C ATOM 304 CG LEU A 24 0.452 2.754 -1.280 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.406 1.609 -1.796 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.453 3.910 -2.270 1.00 0.00 C ATOM 0 H LEU A 24 1.816 2.747 1.739 1.00 0.00 H new ATOM 0 HA LEU A 24 1.153 5.006 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.092 2.356 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.061 3.594 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 24 1.475 2.394 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.039 1.290 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.355 0.773 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.440 1.942 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.808 3.559 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.559 4.301 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.111 4.700 -1.907 1.00 0.00 H new ATOM 318 N ASP A 25 -0.124 4.555 3.002 1.00 0.00 N ATOM 319 CA ASP A 25 -0.906 5.190 4.056 1.00 0.00 C ATOM 320 C ASP A 25 -0.035 6.123 4.891 1.00 0.00 C ATOM 321 O ASP A 25 0.810 5.674 5.664 1.00 0.00 O ATOM 322 CB ASP A 25 -1.547 4.131 4.954 1.00 0.00 C ATOM 323 CG ASP A 25 -1.893 4.669 6.328 1.00 0.00 C ATOM 324 OD1 ASP A 25 -2.281 5.852 6.422 1.00 0.00 O ATOM 325 OD2 ASP A 25 -1.777 3.906 7.310 1.00 0.00 O ATOM 0 H ASP A 25 0.358 3.703 3.289 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.693 5.780 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.451 3.753 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.865 3.287 5.059 1.00 0.00 H new ATOM 330 N GLY A 26 -0.247 7.426 4.729 1.00 0.00 N ATOM 331 CA GLY A 26 0.527 8.402 5.474 1.00 0.00 C ATOM 332 C GLY A 26 0.520 9.769 4.819 1.00 0.00 C ATOM 333 O GLY A 26 0.300 9.903 3.615 1.00 0.00 O ATOM 0 H GLY A 26 -0.941 7.823 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.126 8.484 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.555 8.052 5.566 1.00 0.00 H new ATOM 337 N PRO A 27 0.763 10.815 5.622 1.00 0.00 N ATOM 338 CA PRO A 27 0.789 12.198 5.135 1.00 0.00 C ATOM 339 C PRO A 27 1.994 12.477 4.244 1.00 0.00 C ATOM 340 O PRO A 27 1.882 13.173 3.235 1.00 0.00 O ATOM 341 CB PRO A 27 0.872 13.025 6.421 1.00 0.00 C ATOM 342 CG PRO A 27 1.503 12.115 7.417 1.00 0.00 C ATOM 343 CD PRO A 27 1.034 10.729 7.067 1.00 0.00 C ATOM 0 HA PRO A 27 -0.079 12.429 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.468 13.926 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.116 13.347 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.590 12.182 7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.208 12.382 8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.794 9.980 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.141 10.454 7.628 1.00 0.00 H new ATOM 351 N GLU A 28 3.144 11.928 4.622 1.00 0.00 N ATOM 352 CA GLU A 28 4.370 12.120 3.856 1.00 0.00 C ATOM 353 C GLU A 28 4.268 11.445 2.491 1.00 0.00 C ATOM 354 O GLU A 28 4.909 11.867 1.529 1.00 0.00 O ATOM 355 CB GLU A 28 5.570 11.563 4.624 1.00 0.00 C ATOM 356 CG GLU A 28 6.873 12.283 4.322 1.00 0.00 C ATOM 357 CD GLU A 28 7.893 12.137 5.434 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.343 10.997 5.679 1.00 0.00 O ATOM 359 OE2 GLU A 28 8.241 13.160 6.059 1.00 0.00 O ATOM 0 H GLU A 28 3.252 11.347 5.453 1.00 0.00 H new ATOM 0 HA GLU A 28 4.510 13.190 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.368 11.628 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.685 10.506 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.293 11.892 3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.669 13.341 4.158 1.00 0.00 H new ATOM 366 N ALA A 29 3.459 10.393 2.416 1.00 0.00 N ATOM 367 CA ALA A 29 3.272 9.660 1.170 1.00 0.00 C ATOM 368 C ALA A 29 2.900 10.602 0.030 1.00 0.00 C ATOM 369 O ALA A 29 1.754 11.036 -0.080 1.00 0.00 O ATOM 370 CB ALA A 29 2.205 8.589 1.342 1.00 0.00 C ATOM 0 H ALA A 29 2.923 10.029 3.204 1.00 0.00 H new ATOM 0 HA ALA A 29 4.216 9.178 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.076 8.050 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.512 7.892 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.262 9.057 1.624 1.00 0.00 H new ATOM 376 N GLN A 30 3.877 10.914 -0.816 1.00 0.00 N ATOM 377 CA GLN A 30 3.651 11.806 -1.947 1.00 0.00 C ATOM 378 C GLN A 30 2.337 11.475 -2.648 1.00 0.00 C ATOM 379 O GLN A 30 1.683 12.353 -3.209 1.00 0.00 O ATOM 380 CB GLN A 30 4.810 11.709 -2.940 1.00 0.00 C ATOM 381 CG GLN A 30 4.759 12.757 -4.040 1.00 0.00 C ATOM 382 CD GLN A 30 3.976 12.292 -5.253 1.00 0.00 C ATOM 383 OE1 GLN A 30 4.403 11.391 -5.974 1.00 0.00 O ATOM 384 NE2 GLN A 30 2.821 12.907 -5.483 1.00 0.00 N ATOM 0 H GLN A 30 4.831 10.563 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 30 3.592 12.826 -1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.751 11.809 -2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.807 10.718 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.307 13.668 -3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.775 13.010 -4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.505 13.649 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.250 12.637 -6.284 1.00 0.00 H new ATOM 393 N GLY A 31 1.957 10.201 -2.611 1.00 0.00 N ATOM 394 CA GLY A 31 0.723 9.777 -3.246 1.00 0.00 C ATOM 395 C GLY A 31 -0.228 9.106 -2.275 1.00 0.00 C ATOM 396 O GLY A 31 -0.438 9.594 -1.164 1.00 0.00 O ATOM 0 H GLY A 31 2.482 9.456 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.232 10.642 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.954 9.088 -4.058 1.00 0.00 H new ATOM 400 N SER A 32 -0.806 7.985 -2.694 1.00 0.00 N ATOM 401 CA SER A 32 -1.745 7.249 -1.855 1.00 0.00 C ATOM 402 C SER A 32 -2.135 5.926 -2.508 1.00 0.00 C ATOM 403 O SER A 32 -1.667 5.598 -3.598 1.00 0.00 O ATOM 404 CB SER A 32 -2.996 8.090 -1.594 1.00 0.00 C ATOM 405 OG SER A 32 -3.841 7.466 -0.642 1.00 0.00 O ATOM 0 H SER A 32 -0.641 7.566 -3.609 1.00 0.00 H new ATOM 0 HA SER A 32 -1.255 7.035 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.706 9.077 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.540 8.237 -2.527 1.00 0.00 H new ATOM 0 HG SER A 32 -4.632 8.024 -0.491 1.00 0.00 H new ATOM 411 N TRP A 33 -2.995 5.172 -1.833 1.00 0.00 N ATOM 412 CA TRP A 33 -3.449 3.884 -2.346 1.00 0.00 C ATOM 413 C TRP A 33 -4.719 4.046 -3.173 1.00 0.00 C ATOM 414 O TRP A 33 -4.886 3.395 -4.204 1.00 0.00 O ATOM 415 CB TRP A 33 -3.696 2.911 -1.193 1.00 0.00 C ATOM 416 CG TRP A 33 -4.651 3.438 -0.165 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.334 4.111 0.980 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.079 3.333 -0.189 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.478 4.431 1.670 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.562 3.966 0.973 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.996 2.769 -1.079 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.921 4.047 1.266 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.344 2.850 -0.787 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.797 3.486 0.377 1.00 0.00 C ATOM 0 H TRP A 33 -3.392 5.430 -0.930 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.667 3.481 -2.990 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.085 1.975 -1.594 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.746 2.681 -0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.331 4.356 1.297 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.514 4.933 2.557 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.657 2.278 -1.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.271 4.535 2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -9.061 2.416 -1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.857 3.534 0.576 1.00 0.00 H new ATOM 435 N ALA A 34 -5.612 4.917 -2.715 1.00 0.00 N ATOM 436 CA ALA A 34 -6.867 5.164 -3.415 1.00 0.00 C ATOM 437 C ALA A 34 -6.624 5.453 -4.892 1.00 0.00 C ATOM 438 O ALA A 34 -7.099 4.725 -5.762 1.00 0.00 O ATOM 439 CB ALA A 34 -7.614 6.319 -2.765 1.00 0.00 C ATOM 0 H ALA A 34 -5.490 5.463 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.478 4.264 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.549 6.493 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.829 6.074 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.000 7.219 -2.807 1.00 0.00 H new ATOM 445 N GLU A 35 -5.881 6.521 -5.167 1.00 0.00 N ATOM 446 CA GLU A 35 -5.577 6.906 -6.540 1.00 0.00 C ATOM 447 C GLU A 35 -4.875 5.772 -7.281 1.00 0.00 C ATOM 448 O GLU A 35 -5.222 5.448 -8.417 1.00 0.00 O ATOM 449 CB GLU A 35 -4.702 8.161 -6.559 1.00 0.00 C ATOM 450 CG GLU A 35 -4.347 8.634 -7.959 1.00 0.00 C ATOM 451 CD GLU A 35 -3.667 9.990 -7.962 1.00 0.00 C ATOM 452 OE1 GLU A 35 -4.356 10.999 -7.700 1.00 0.00 O ATOM 453 OE2 GLU A 35 -2.448 10.043 -8.226 1.00 0.00 O ATOM 0 H GLU A 35 -5.479 7.134 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.518 7.120 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.221 8.963 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.783 7.961 -6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.691 7.902 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.254 8.685 -8.562 1.00 0.00 H new ATOM 460 N LEU A 36 -3.885 5.171 -6.629 1.00 0.00 N ATOM 461 CA LEU A 36 -3.132 4.073 -7.224 1.00 0.00 C ATOM 462 C LEU A 36 -4.070 2.982 -7.731 1.00 0.00 C ATOM 463 O LEU A 36 -3.899 2.466 -8.836 1.00 0.00 O ATOM 464 CB LEU A 36 -2.154 3.487 -6.205 1.00 0.00 C ATOM 465 CG LEU A 36 -1.681 2.058 -6.473 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.852 2.000 -7.747 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.881 1.530 -5.290 1.00 0.00 C ATOM 0 H LEU A 36 -3.585 5.426 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.571 4.467 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.279 4.135 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.625 3.514 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.558 1.424 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.524 0.975 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.456 2.336 -8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.019 2.647 -7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.552 0.512 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.011 2.166 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.506 1.534 -4.397 1.00 0.00 H new ATOM 479 N ALA A 37 -5.062 2.637 -6.918 1.00 0.00 N ATOM 480 CA ALA A 37 -6.030 1.611 -7.286 1.00 0.00 C ATOM 481 C ALA A 37 -6.694 1.935 -8.620 1.00 0.00 C ATOM 482 O ALA A 37 -6.725 1.103 -9.526 1.00 0.00 O ATOM 483 CB ALA A 37 -7.080 1.460 -6.194 1.00 0.00 C ATOM 0 H ALA A 37 -5.217 3.053 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.497 0.667 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.796 0.691 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.596 1.174 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.601 2.408 -6.057 1.00 0.00 H new ATOM 489 N GLU A 38 -7.224 3.149 -8.732 1.00 0.00 N ATOM 490 CA GLU A 38 -7.888 3.581 -9.956 1.00 0.00 C ATOM 491 C GLU A 38 -7.008 3.320 -11.175 1.00 0.00 C ATOM 492 O GLU A 38 -7.496 2.923 -12.233 1.00 0.00 O ATOM 493 CB GLU A 38 -8.238 5.068 -9.875 1.00 0.00 C ATOM 494 CG GLU A 38 -9.128 5.421 -8.695 1.00 0.00 C ATOM 495 CD GLU A 38 -9.909 6.702 -8.915 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.781 6.719 -9.809 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.647 7.687 -8.194 1.00 0.00 O ATOM 0 H GLU A 38 -7.206 3.850 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.807 3.004 -10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.316 5.646 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.737 5.366 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.824 4.602 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.514 5.523 -7.800 1.00 0.00 H new ATOM 504 N ARG A 39 -5.708 3.546 -11.017 1.00 0.00 N ATOM 505 CA ARG A 39 -4.759 3.337 -12.104 1.00 0.00 C ATOM 506 C ARG A 39 -4.745 1.875 -12.540 1.00 0.00 C ATOM 507 O ARG A 39 -4.680 1.573 -13.733 1.00 0.00 O ATOM 508 CB ARG A 39 -3.355 3.765 -11.673 1.00 0.00 C ATOM 509 CG ARG A 39 -3.234 5.252 -11.380 1.00 0.00 C ATOM 510 CD ARG A 39 -1.811 5.746 -11.583 1.00 0.00 C ATOM 511 NE ARG A 39 -1.753 7.197 -11.743 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.068 7.826 -12.870 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.462 7.134 -13.931 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.990 9.148 -12.937 1.00 0.00 N ATOM 0 H ARG A 39 -5.288 3.874 -10.147 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.074 3.948 -12.950 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.071 3.204 -10.783 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.647 3.499 -12.458 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.909 5.808 -12.030 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.545 5.448 -10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.200 5.451 -10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.383 5.267 -12.463 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.454 7.758 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.524 6.117 -13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.703 7.619 -14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.688 9.683 -12.123 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.232 9.630 -13.803 1.00 0.00 H new ATOM 528 N LEU A 40 -4.805 0.972 -11.568 1.00 0.00 N ATOM 529 CA LEU A 40 -4.799 -0.459 -11.851 1.00 0.00 C ATOM 530 C LEU A 40 -6.144 -0.908 -12.413 1.00 0.00 C ATOM 531 O LEU A 40 -6.205 -1.773 -13.286 1.00 0.00 O ATOM 532 CB LEU A 40 -4.474 -1.248 -10.581 1.00 0.00 C ATOM 533 CG LEU A 40 -3.172 -0.872 -9.872 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.200 -1.338 -8.425 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.976 -1.465 -10.603 1.00 0.00 C ATOM 0 H LEU A 40 -4.858 1.205 -10.576 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.031 -0.654 -12.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.297 -1.121 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.433 -2.307 -10.836 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.075 0.214 -9.881 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.266 -1.062 -7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.034 -0.866 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.320 -2.421 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.058 -1.187 -10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.065 -2.551 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.947 -1.082 -11.623 1.00 0.00 H new ATOM 547 N GLY A 41 -7.220 -0.314 -11.906 1.00 0.00 N ATOM 548 CA GLY A 41 -8.549 -0.665 -12.371 1.00 0.00 C ATOM 549 C GLY A 41 -9.521 -0.890 -11.230 1.00 0.00 C ATOM 550 O GLY A 41 -10.731 -0.977 -11.443 1.00 0.00 O ATOM 0 H GLY A 41 -7.195 0.404 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.927 0.129 -13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.491 -1.568 -12.979 1.00 0.00 H new ATOM 554 N LEU A 42 -8.993 -0.986 -10.015 1.00 0.00 N ATOM 555 CA LEU A 42 -9.823 -1.204 -8.835 1.00 0.00 C ATOM 556 C LEU A 42 -10.306 0.121 -8.256 1.00 0.00 C ATOM 557 O LEU A 42 -10.096 0.409 -7.077 1.00 0.00 O ATOM 558 CB LEU A 42 -9.041 -1.983 -7.775 1.00 0.00 C ATOM 559 CG LEU A 42 -8.266 -3.203 -8.273 1.00 0.00 C ATOM 560 CD1 LEU A 42 -7.054 -3.461 -7.392 1.00 0.00 C ATOM 561 CD2 LEU A 42 -9.168 -4.427 -8.315 1.00 0.00 C ATOM 0 H LEU A 42 -7.994 -0.916 -9.821 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.694 -1.786 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.337 -1.301 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.740 -2.311 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.917 -3.000 -9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.515 -4.333 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.397 -2.592 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.381 -3.643 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.600 -5.286 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.548 -4.634 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.004 -4.240 -8.989 1.00 0.00 H new ATOM 573 N ARG A 43 -10.955 0.925 -9.092 1.00 0.00 N ATOM 574 CA ARG A 43 -11.469 2.220 -8.663 1.00 0.00 C ATOM 575 C ARG A 43 -12.777 2.058 -7.893 1.00 0.00 C ATOM 576 O ARG A 43 -13.175 2.942 -7.135 1.00 0.00 O ATOM 577 CB ARG A 43 -11.686 3.132 -9.872 1.00 0.00 C ATOM 578 CG ARG A 43 -12.904 2.763 -10.703 1.00 0.00 C ATOM 579 CD ARG A 43 -13.399 3.944 -11.522 1.00 0.00 C ATOM 580 NE ARG A 43 -14.565 3.600 -12.330 1.00 0.00 N ATOM 581 CZ ARG A 43 -15.135 4.435 -13.191 1.00 0.00 C ATOM 582 NH1 ARG A 43 -14.649 5.658 -13.355 1.00 0.00 N ATOM 583 NH2 ARG A 43 -16.194 4.048 -13.891 1.00 0.00 N ATOM 0 H ARG A 43 -11.137 0.702 -10.071 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.732 2.674 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.791 4.160 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.800 3.097 -10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.655 1.937 -11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.701 2.414 -10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.651 4.768 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.598 4.295 -12.173 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.964 2.667 -12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.835 5.960 -12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.089 6.297 -14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.571 3.108 -13.768 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.631 4.690 -14.552 1.00 0.00 H new ATOM 597 N SER A 44 -13.439 0.924 -8.094 1.00 0.00 N ATOM 598 CA SER A 44 -14.704 0.648 -7.423 1.00 0.00 C ATOM 599 C SER A 44 -14.465 0.103 -6.018 1.00 0.00 C ATOM 600 O SER A 44 -15.193 0.431 -5.080 1.00 0.00 O ATOM 601 CB SER A 44 -15.530 -0.351 -8.236 1.00 0.00 C ATOM 602 OG SER A 44 -16.835 -0.489 -7.700 1.00 0.00 O ATOM 0 H SER A 44 -13.121 0.181 -8.716 1.00 0.00 H new ATOM 0 HA SER A 44 -15.256 1.584 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.592 -0.018 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.031 -1.320 -8.242 1.00 0.00 H new ATOM 0 HG SER A 44 -17.343 -1.131 -8.238 1.00 0.00 H new ATOM 608 N LEU A 45 -13.440 -0.731 -5.880 1.00 0.00 N ATOM 609 CA LEU A 45 -13.104 -1.322 -4.589 1.00 0.00 C ATOM 610 C LEU A 45 -12.600 -0.260 -3.618 1.00 0.00 C ATOM 611 O LEU A 45 -12.757 -0.388 -2.404 1.00 0.00 O ATOM 612 CB LEU A 45 -12.045 -2.412 -4.766 1.00 0.00 C ATOM 613 CG LEU A 45 -12.569 -3.812 -5.087 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.488 -4.647 -5.756 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.068 -4.497 -3.823 1.00 0.00 C ATOM 0 H LEU A 45 -12.828 -1.013 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.009 -1.766 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.369 -2.107 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.454 -2.468 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.405 -3.716 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.880 -5.640 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.177 -4.165 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.631 -4.735 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.437 -5.492 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.250 -4.581 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.875 -3.909 -3.385 1.00 0.00 H new ATOM 627 N VAL A 46 -11.994 0.791 -4.161 1.00 0.00 N ATOM 628 CA VAL A 46 -11.469 1.878 -3.343 1.00 0.00 C ATOM 629 C VAL A 46 -12.385 2.167 -2.159 1.00 0.00 C ATOM 630 O VAL A 46 -12.004 1.972 -1.005 1.00 0.00 O ATOM 631 CB VAL A 46 -11.293 3.167 -4.168 1.00 0.00 C ATOM 632 CG1 VAL A 46 -10.897 4.328 -3.268 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.263 2.959 -5.268 1.00 0.00 C ATOM 0 H VAL A 46 -11.854 0.913 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.495 1.555 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.247 3.411 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.777 5.230 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.674 4.490 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.956 4.097 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.151 3.880 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.305 2.690 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.594 2.158 -5.929 1.00 0.00 H new ATOM 643 N ASP A 47 -13.594 2.631 -2.454 1.00 0.00 N ATOM 644 CA ASP A 47 -14.567 2.945 -1.413 1.00 0.00 C ATOM 645 C ASP A 47 -14.682 1.799 -0.413 1.00 0.00 C ATOM 646 O ASP A 47 -14.705 2.018 0.799 1.00 0.00 O ATOM 647 CB ASP A 47 -15.934 3.236 -2.034 1.00 0.00 C ATOM 648 CG ASP A 47 -16.903 3.846 -1.041 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.827 5.072 -0.814 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.738 3.098 -0.491 1.00 0.00 O ATOM 0 H ASP A 47 -13.924 2.798 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.221 3.832 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.809 3.914 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.356 2.311 -2.427 1.00 0.00 H new ATOM 655 N THR A 48 -14.755 0.576 -0.928 1.00 0.00 N ATOM 656 CA THR A 48 -14.870 -0.605 -0.082 1.00 0.00 C ATOM 657 C THR A 48 -13.700 -0.699 0.892 1.00 0.00 C ATOM 658 O THR A 48 -13.895 -0.862 2.097 1.00 0.00 O ATOM 659 CB THR A 48 -14.930 -1.895 -0.921 1.00 0.00 C ATOM 660 OG1 THR A 48 -16.003 -1.815 -1.866 1.00 0.00 O ATOM 661 CG2 THR A 48 -15.123 -3.112 -0.029 1.00 0.00 C ATOM 0 H THR A 48 -14.736 0.377 -1.928 1.00 0.00 H new ATOM 0 HA THR A 48 -15.799 -0.503 0.478 1.00 0.00 H new ATOM 0 HB THR A 48 -13.985 -2.001 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.033 -2.638 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.162 -4.011 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.290 -3.187 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.055 -3.011 0.527 1.00 0.00 H new ATOM 669 N TYR A 49 -12.487 -0.596 0.362 1.00 0.00 N ATOM 670 CA TYR A 49 -11.285 -0.672 1.185 1.00 0.00 C ATOM 671 C TYR A 49 -11.303 0.394 2.276 1.00 0.00 C ATOM 672 O TYR A 49 -10.986 0.120 3.433 1.00 0.00 O ATOM 673 CB TYR A 49 -10.036 -0.508 0.317 1.00 0.00 C ATOM 674 CG TYR A 49 -9.857 -1.612 -0.700 1.00 0.00 C ATOM 675 CD1 TYR A 49 -10.073 -2.941 -0.357 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.470 -1.327 -2.004 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.909 -3.954 -1.283 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.305 -2.333 -2.936 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.526 -3.645 -2.571 1.00 0.00 C ATOM 680 OH TYR A 49 -9.362 -4.649 -3.497 1.00 0.00 O ATOM 0 H TYR A 49 -12.309 -0.460 -0.633 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.263 -1.652 1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.088 0.449 -0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.158 -0.473 0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.374 -3.187 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.295 -0.301 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.080 -4.982 -0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.004 -2.094 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.777 -5.472 -3.164 1.00 0.00 H new ATOM 690 N ARG A 50 -11.679 1.612 1.897 1.00 0.00 N ATOM 691 CA ARG A 50 -11.738 2.721 2.842 1.00 0.00 C ATOM 692 C ARG A 50 -12.242 2.249 4.203 1.00 0.00 C ATOM 693 O ARG A 50 -11.730 2.665 5.242 1.00 0.00 O ATOM 694 CB ARG A 50 -12.649 3.827 2.305 1.00 0.00 C ATOM 695 CG ARG A 50 -12.416 5.179 2.961 1.00 0.00 C ATOM 696 CD ARG A 50 -13.537 6.154 2.639 1.00 0.00 C ATOM 697 NE ARG A 50 -13.543 7.299 3.546 1.00 0.00 N ATOM 698 CZ ARG A 50 -14.401 8.309 3.448 1.00 0.00 C ATOM 699 NH1 ARG A 50 -15.316 8.316 2.489 1.00 0.00 N ATOM 700 NH2 ARG A 50 -14.343 9.316 4.311 1.00 0.00 N ATOM 0 H ARG A 50 -11.947 1.855 0.943 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.730 3.116 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.496 3.923 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.688 3.534 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.341 5.053 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.465 5.591 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.429 6.505 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.495 5.638 2.700 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.851 7.325 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.363 7.545 1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.973 9.093 2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.640 9.315 5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.002 10.091 4.235 1.00 0.00 H new ATOM 714 N GLN A 51 -13.246 1.379 4.188 1.00 0.00 N ATOM 715 CA GLN A 51 -13.819 0.852 5.421 1.00 0.00 C ATOM 716 C GLN A 51 -12.756 0.146 6.256 1.00 0.00 C ATOM 717 O GLN A 51 -12.660 0.356 7.466 1.00 0.00 O ATOM 718 CB GLN A 51 -14.962 -0.114 5.105 1.00 0.00 C ATOM 719 CG GLN A 51 -16.235 0.579 4.647 1.00 0.00 C ATOM 720 CD GLN A 51 -17.232 -0.381 4.029 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.487 -1.460 4.565 1.00 0.00 O ATOM 722 NE2 GLN A 51 -17.803 0.007 2.895 1.00 0.00 N ATOM 0 H GLN A 51 -13.680 1.024 3.336 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.211 1.690 5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.637 -0.808 4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.181 -0.708 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.698 1.080 5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.982 1.352 3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.562 0.910 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.482 -0.598 2.433 1.00 0.00 H new ATOM 731 N THR A 52 -11.959 -0.694 5.603 1.00 0.00 N ATOM 732 CA THR A 52 -10.904 -1.434 6.285 1.00 0.00 C ATOM 733 C THR A 52 -9.828 -0.493 6.815 1.00 0.00 C ATOM 734 O THR A 52 -9.534 0.537 6.207 1.00 0.00 O ATOM 735 CB THR A 52 -10.250 -2.469 5.352 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.675 -1.812 4.217 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.270 -3.498 4.885 1.00 0.00 C ATOM 0 H THR A 52 -12.024 -0.879 4.602 1.00 0.00 H new ATOM 0 HA THR A 52 -11.372 -1.954 7.120 1.00 0.00 H new ATOM 0 HB THR A 52 -9.467 -2.983 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.387 -1.415 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.785 -4.219 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.685 -4.017 5.749 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.072 -2.996 4.344 1.00 0.00 H new ATOM 745 N THR A 53 -9.243 -0.852 7.953 1.00 0.00 N ATOM 746 CA THR A 53 -8.199 -0.040 8.566 1.00 0.00 C ATOM 747 C THR A 53 -6.887 -0.162 7.799 1.00 0.00 C ATOM 748 O THR A 53 -5.993 0.672 7.944 1.00 0.00 O ATOM 749 CB THR A 53 -7.962 -0.443 10.033 1.00 0.00 C ATOM 750 OG1 THR A 53 -6.880 0.318 10.582 1.00 0.00 O ATOM 751 CG2 THR A 53 -7.651 -1.928 10.144 1.00 0.00 C ATOM 0 H THR A 53 -9.475 -1.701 8.469 1.00 0.00 H new ATOM 0 HA THR A 53 -8.542 0.994 8.532 1.00 0.00 H new ATOM 0 HB THR A 53 -8.873 -0.236 10.594 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.347 0.701 9.854 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.487 -2.188 11.190 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.489 -2.505 9.753 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.754 -2.156 9.569 1.00 0.00 H new ATOM 759 N SER A 54 -6.778 -1.205 6.982 1.00 0.00 N ATOM 760 CA SER A 54 -5.573 -1.437 6.195 1.00 0.00 C ATOM 761 C SER A 54 -5.921 -1.681 4.729 1.00 0.00 C ATOM 762 O SER A 54 -5.884 -2.808 4.235 1.00 0.00 O ATOM 763 CB SER A 54 -4.796 -2.631 6.752 1.00 0.00 C ATOM 764 OG SER A 54 -3.562 -2.797 6.076 1.00 0.00 O ATOM 0 H SER A 54 -7.510 -1.903 6.848 1.00 0.00 H new ATOM 0 HA SER A 54 -4.949 -0.545 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.614 -2.486 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.394 -3.537 6.651 1.00 0.00 H new ATOM 0 HG SER A 54 -3.084 -3.566 6.452 1.00 0.00 H new ATOM 770 N PRO A 55 -6.267 -0.599 4.016 1.00 0.00 N ATOM 771 CA PRO A 55 -6.627 -0.669 2.597 1.00 0.00 C ATOM 772 C PRO A 55 -5.430 -0.992 1.709 1.00 0.00 C ATOM 773 O PRO A 55 -5.575 -1.611 0.655 1.00 0.00 O ATOM 774 CB PRO A 55 -7.153 0.737 2.295 1.00 0.00 C ATOM 775 CG PRO A 55 -6.490 1.613 3.301 1.00 0.00 C ATOM 776 CD PRO A 55 -6.332 0.776 4.539 1.00 0.00 C ATOM 0 HA PRO A 55 -7.349 -1.461 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.905 1.043 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.238 0.782 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.522 1.960 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.091 2.499 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.429 1.040 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.171 0.907 5.222 1.00 0.00 H new ATOM 784 N SER A 56 -4.247 -0.570 2.143 1.00 0.00 N ATOM 785 CA SER A 56 -3.024 -0.811 1.386 1.00 0.00 C ATOM 786 C SER A 56 -2.837 -2.301 1.118 1.00 0.00 C ATOM 787 O SER A 56 -2.618 -2.716 -0.020 1.00 0.00 O ATOM 788 CB SER A 56 -1.813 -0.262 2.144 1.00 0.00 C ATOM 789 OG SER A 56 -2.172 0.857 2.935 1.00 0.00 O ATOM 0 H SER A 56 -4.109 -0.059 3.015 1.00 0.00 H new ATOM 0 HA SER A 56 -3.110 -0.295 0.430 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.394 -1.042 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.035 0.024 1.436 1.00 0.00 H new ATOM 0 HG SER A 56 -1.362 1.333 3.215 1.00 0.00 H new ATOM 795 N GLY A 57 -2.926 -3.103 2.175 1.00 0.00 N ATOM 796 CA GLY A 57 -2.764 -4.538 2.033 1.00 0.00 C ATOM 797 C GLY A 57 -3.893 -5.174 1.246 1.00 0.00 C ATOM 798 O GLY A 57 -3.653 -5.898 0.279 1.00 0.00 O ATOM 0 H GLY A 57 -3.107 -2.784 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.817 -4.746 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.712 -4.994 3.022 1.00 0.00 H new ATOM 802 N SER A 58 -5.127 -4.905 1.660 1.00 0.00 N ATOM 803 CA SER A 58 -6.296 -5.460 0.990 1.00 0.00 C ATOM 804 C SER A 58 -6.328 -5.047 -0.479 1.00 0.00 C ATOM 805 O SER A 58 -7.037 -5.645 -1.289 1.00 0.00 O ATOM 806 CB SER A 58 -7.577 -5.001 1.689 1.00 0.00 C ATOM 807 OG SER A 58 -7.505 -3.629 2.037 1.00 0.00 O ATOM 0 H SER A 58 -5.343 -4.306 2.457 1.00 0.00 H new ATOM 0 HA SER A 58 -6.232 -6.547 1.042 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.432 -5.169 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.740 -5.599 2.586 1.00 0.00 H new ATOM 0 HG SER A 58 -7.031 -3.532 2.889 1.00 0.00 H new ATOM 813 N LEU A 59 -5.556 -4.019 -0.814 1.00 0.00 N ATOM 814 CA LEU A 59 -5.495 -3.523 -2.185 1.00 0.00 C ATOM 815 C LEU A 59 -4.488 -4.321 -3.007 1.00 0.00 C ATOM 816 O LEU A 59 -4.816 -4.842 -4.074 1.00 0.00 O ATOM 817 CB LEU A 59 -5.120 -2.041 -2.195 1.00 0.00 C ATOM 818 CG LEU A 59 -5.140 -1.353 -3.561 1.00 0.00 C ATOM 819 CD1 LEU A 59 -6.557 -1.303 -4.112 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.555 0.048 -3.461 1.00 0.00 C ATOM 0 H LEU A 59 -4.964 -3.513 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.480 -3.644 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.803 -1.509 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.121 -1.937 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.525 -1.934 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.552 -0.810 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.941 -2.317 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.195 -0.746 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.577 0.522 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.143 0.639 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.525 -0.012 -3.110 1.00 0.00 H new ATOM 832 N LEU A 60 -3.262 -4.413 -2.504 1.00 0.00 N ATOM 833 CA LEU A 60 -2.206 -5.149 -3.191 1.00 0.00 C ATOM 834 C LEU A 60 -2.605 -6.606 -3.399 1.00 0.00 C ATOM 835 O LEU A 60 -2.536 -7.126 -4.513 1.00 0.00 O ATOM 836 CB LEU A 60 -0.903 -5.074 -2.394 1.00 0.00 C ATOM 837 CG LEU A 60 -0.095 -3.785 -2.549 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.945 -3.672 -1.445 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.569 -3.733 -3.917 1.00 0.00 C ATOM 0 H LEU A 60 -2.974 -3.987 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.054 -4.690 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.138 -5.207 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.272 -5.913 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.777 -2.939 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.511 -2.749 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.447 -3.663 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.624 -4.523 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.140 -2.809 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.239 -4.586 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.195 -3.767 -4.694 1.00 0.00 H new ATOM 851 N ARG A 61 -3.025 -7.259 -2.320 1.00 0.00 N ATOM 852 CA ARG A 61 -3.437 -8.656 -2.385 1.00 0.00 C ATOM 853 C ARG A 61 -4.607 -8.835 -3.348 1.00 0.00 C ATOM 854 O ARG A 61 -4.831 -9.925 -3.873 1.00 0.00 O ATOM 855 CB ARG A 61 -3.826 -9.160 -0.994 1.00 0.00 C ATOM 856 CG ARG A 61 -5.189 -8.674 -0.529 1.00 0.00 C ATOM 857 CD ARG A 61 -5.756 -9.567 0.563 1.00 0.00 C ATOM 858 NE ARG A 61 -6.387 -10.765 0.017 1.00 0.00 N ATOM 859 CZ ARG A 61 -7.586 -10.770 -0.553 1.00 0.00 C ATOM 860 NH1 ARG A 61 -8.281 -9.645 -0.653 1.00 0.00 N ATOM 861 NH2 ARG A 61 -8.093 -11.901 -1.027 1.00 0.00 N ATOM 0 H ARG A 61 -3.089 -6.843 -1.391 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.594 -9.240 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.820 -10.250 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.071 -8.839 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.105 -7.652 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.876 -8.651 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.957 -9.857 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.486 -9.007 1.147 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.878 -11.647 0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.895 -8.773 -0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.202 -9.652 -1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.561 -12.768 -0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.014 -11.903 -1.465 1.00 0.00 H new ATOM 875 N SER A 62 -5.350 -7.756 -3.574 1.00 0.00 N ATOM 876 CA SER A 62 -6.500 -7.794 -4.470 1.00 0.00 C ATOM 877 C SER A 62 -6.111 -7.336 -5.873 1.00 0.00 C ATOM 878 O SER A 62 -6.754 -7.701 -6.857 1.00 0.00 O ATOM 879 CB SER A 62 -7.626 -6.912 -3.927 1.00 0.00 C ATOM 880 OG SER A 62 -8.612 -6.676 -4.918 1.00 0.00 O ATOM 0 H SER A 62 -5.176 -6.845 -3.149 1.00 0.00 H new ATOM 0 HA SER A 62 -6.851 -8.824 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.083 -7.392 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.215 -5.962 -3.585 1.00 0.00 H new ATOM 0 HG SER A 62 -9.012 -5.793 -4.777 1.00 0.00 H new ATOM 886 N TYR A 63 -5.055 -6.534 -5.954 1.00 0.00 N ATOM 887 CA TYR A 63 -4.581 -6.023 -7.235 1.00 0.00 C ATOM 888 C TYR A 63 -4.138 -7.164 -8.146 1.00 0.00 C ATOM 889 O TYR A 63 -4.221 -7.062 -9.370 1.00 0.00 O ATOM 890 CB TYR A 63 -3.423 -5.048 -7.021 1.00 0.00 C ATOM 891 CG TYR A 63 -2.543 -4.876 -8.239 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.086 -4.519 -9.467 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.170 -5.072 -8.162 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.286 -4.362 -10.583 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.362 -4.915 -9.272 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.925 -4.560 -10.480 1.00 0.00 C ATOM 897 OH TYR A 63 -0.124 -4.405 -11.588 1.00 0.00 O ATOM 0 H TYR A 63 -4.511 -6.224 -5.149 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.406 -5.497 -7.716 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.825 -4.077 -6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.813 -5.399 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.151 -4.362 -9.551 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.726 -5.352 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.724 -4.086 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.704 -5.069 -9.194 1.00 0.00 H new ATOM 0 HH TYR A 63 0.805 -4.611 -11.352 1.00 0.00 H new ATOM 907 N GLU A 64 -3.669 -8.250 -7.540 1.00 0.00 N ATOM 908 CA GLU A 64 -3.213 -9.410 -8.296 1.00 0.00 C ATOM 909 C GLU A 64 -4.390 -10.292 -8.701 1.00 0.00 C ATOM 910 O GLU A 64 -4.389 -10.893 -9.776 1.00 0.00 O ATOM 911 CB GLU A 64 -2.212 -10.222 -7.472 1.00 0.00 C ATOM 912 CG GLU A 64 -2.828 -10.895 -6.257 1.00 0.00 C ATOM 913 CD GLU A 64 -1.983 -12.040 -5.733 1.00 0.00 C ATOM 914 OE1 GLU A 64 -1.940 -13.097 -6.398 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.367 -11.881 -4.659 1.00 0.00 O ATOM 0 H GLU A 64 -3.595 -8.351 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.722 -9.052 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.762 -10.983 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.407 -9.565 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.963 -10.157 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.819 -11.269 -6.516 1.00 0.00 H new ATOM 922 N LEU A 65 -5.393 -10.366 -7.833 1.00 0.00 N ATOM 923 CA LEU A 65 -6.577 -11.175 -8.098 1.00 0.00 C ATOM 924 C LEU A 65 -7.156 -10.858 -9.473 1.00 0.00 C ATOM 925 O LEU A 65 -7.548 -11.758 -10.215 1.00 0.00 O ATOM 926 CB LEU A 65 -7.635 -10.936 -7.019 1.00 0.00 C ATOM 927 CG LEU A 65 -7.193 -11.190 -5.578 1.00 0.00 C ATOM 928 CD1 LEU A 65 -8.299 -10.811 -4.606 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.793 -12.647 -5.392 1.00 0.00 C ATOM 0 H LEU A 65 -5.410 -9.875 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.281 -12.224 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.977 -9.904 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.493 -11.573 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.324 -10.566 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.966 -10.999 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.538 -9.754 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.187 -11.408 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.481 -12.810 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.643 -13.290 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.968 -12.886 -6.063 1.00 0.00 H new ATOM 941 N ALA A 66 -7.204 -9.572 -9.807 1.00 0.00 N ATOM 942 CA ALA A 66 -7.731 -9.137 -11.095 1.00 0.00 C ATOM 943 C ALA A 66 -6.835 -9.597 -12.239 1.00 0.00 C ATOM 944 O ALA A 66 -7.277 -9.708 -13.381 1.00 0.00 O ATOM 945 CB ALA A 66 -7.884 -7.623 -11.118 1.00 0.00 C ATOM 0 H ALA A 66 -6.885 -8.814 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.712 -9.593 -11.231 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.278 -7.312 -12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.571 -7.315 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.912 -7.157 -10.955 1.00 0.00 H new ATOM 951 N GLY A 67 -5.571 -9.864 -11.924 1.00 0.00 N ATOM 952 CA GLY A 67 -4.631 -10.309 -12.937 1.00 0.00 C ATOM 953 C GLY A 67 -3.529 -9.299 -13.189 1.00 0.00 C ATOM 954 O GLY A 67 -3.056 -9.155 -14.315 1.00 0.00 O ATOM 0 H GLY A 67 -5.181 -9.780 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.188 -11.255 -12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.167 -10.498 -13.867 1.00 0.00 H new ATOM 958 N GLY A 68 -3.121 -8.596 -12.137 1.00 0.00 N ATOM 959 CA GLY A 68 -2.072 -7.602 -12.271 1.00 0.00 C ATOM 960 C GLY A 68 -0.722 -8.118 -11.814 1.00 0.00 C ATOM 961 O GLY A 68 -0.645 -9.036 -10.997 1.00 0.00 O ATOM 0 H GLY A 68 -3.498 -8.697 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.004 -7.288 -13.313 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.336 -6.719 -11.689 1.00 0.00 H new ATOM 965 N ASP A 69 0.345 -7.528 -12.342 1.00 0.00 N ATOM 966 CA ASP A 69 1.699 -7.935 -11.983 1.00 0.00 C ATOM 967 C ASP A 69 2.517 -6.738 -11.510 1.00 0.00 C ATOM 968 O ASP A 69 2.045 -5.600 -11.534 1.00 0.00 O ATOM 969 CB ASP A 69 2.387 -8.600 -13.176 1.00 0.00 C ATOM 970 CG ASP A 69 1.651 -9.835 -13.655 1.00 0.00 C ATOM 971 OD1 ASP A 69 0.414 -9.764 -13.817 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.311 -10.873 -13.869 1.00 0.00 O ATOM 0 H ASP A 69 0.299 -6.767 -13.020 1.00 0.00 H new ATOM 0 HA ASP A 69 1.633 -8.653 -11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.460 -7.884 -13.995 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.405 -8.872 -12.899 1.00 0.00 H new ATOM 977 N LEU A 70 3.746 -7.001 -11.079 1.00 0.00 N ATOM 978 CA LEU A 70 4.631 -5.946 -10.598 1.00 0.00 C ATOM 979 C LEU A 70 4.715 -4.804 -11.606 1.00 0.00 C ATOM 980 O LEU A 70 4.395 -3.659 -11.289 1.00 0.00 O ATOM 981 CB LEU A 70 6.028 -6.508 -10.330 1.00 0.00 C ATOM 982 CG LEU A 70 6.936 -5.655 -9.443 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.552 -5.810 -7.980 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.395 -6.030 -9.656 1.00 0.00 C ATOM 0 H LEU A 70 4.152 -7.936 -11.053 1.00 0.00 H new ATOM 0 HA LEU A 70 4.218 -5.556 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.920 -7.489 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.527 -6.659 -11.287 1.00 0.00 H new ATOM 0 HG LEU A 70 6.806 -4.609 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.209 -5.196 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.519 -5.491 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.652 -6.855 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.026 -5.413 -9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.541 -7.081 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.664 -5.866 -10.699 1.00 0.00 H new ATOM 996 N ALA A 71 5.145 -5.125 -12.822 1.00 0.00 N ATOM 997 CA ALA A 71 5.266 -4.128 -13.877 1.00 0.00 C ATOM 998 C ALA A 71 4.143 -3.100 -13.793 1.00 0.00 C ATOM 999 O ALA A 71 4.390 -1.908 -13.622 1.00 0.00 O ATOM 1000 CB ALA A 71 5.268 -4.801 -15.242 1.00 0.00 C ATOM 0 H ALA A 71 5.415 -6.068 -13.100 1.00 0.00 H new ATOM 0 HA ALA A 71 6.212 -3.605 -13.741 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.359 -4.044 -16.021 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.110 -5.491 -15.306 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.337 -5.351 -15.378 1.00 0.00 H new ATOM 1006 N GLY A 72 2.905 -3.572 -13.916 1.00 0.00 N ATOM 1007 CA GLY A 72 1.762 -2.680 -13.852 1.00 0.00 C ATOM 1008 C GLY A 72 1.776 -1.807 -12.613 1.00 0.00 C ATOM 1009 O GLY A 72 1.340 -0.656 -12.651 1.00 0.00 O ATOM 0 H GLY A 72 2.674 -4.555 -14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.749 -2.046 -14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.845 -3.268 -13.868 1.00 0.00 H new ATOM 1013 N LEU A 73 2.276 -2.355 -11.511 1.00 0.00 N ATOM 1014 CA LEU A 73 2.344 -1.619 -10.253 1.00 0.00 C ATOM 1015 C LEU A 73 3.472 -0.594 -10.283 1.00 0.00 C ATOM 1016 O LEU A 73 3.381 0.464 -9.658 1.00 0.00 O ATOM 1017 CB LEU A 73 2.547 -2.585 -9.085 1.00 0.00 C ATOM 1018 CG LEU A 73 2.143 -2.064 -7.705 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.710 -1.554 -7.725 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.309 -3.152 -6.654 1.00 0.00 C ATOM 0 H LEU A 73 2.640 -3.306 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 73 1.401 -1.090 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.980 -3.494 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.599 -2.867 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 73 2.799 -1.233 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.440 -1.187 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.622 -0.743 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.039 -2.365 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.017 -2.763 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.678 -4.003 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.351 -3.470 -6.621 1.00 0.00 H new ATOM 1032 N LEU A 74 4.535 -0.912 -11.013 1.00 0.00 N ATOM 1033 CA LEU A 74 5.682 -0.017 -11.126 1.00 0.00 C ATOM 1034 C LEU A 74 5.384 1.131 -12.084 1.00 0.00 C ATOM 1035 O LEU A 74 5.890 2.240 -11.915 1.00 0.00 O ATOM 1036 CB LEU A 74 6.912 -0.791 -11.606 1.00 0.00 C ATOM 1037 CG LEU A 74 7.592 -1.681 -10.565 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.519 -2.679 -11.242 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.359 -0.835 -9.559 1.00 0.00 C ATOM 0 H LEU A 74 4.627 -1.783 -11.536 1.00 0.00 H new ATOM 0 HA LEU A 74 5.885 0.401 -10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.618 -1.414 -12.451 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.645 -0.075 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 74 6.822 -2.236 -10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.995 -3.304 -10.486 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.943 -3.307 -11.923 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.284 -2.142 -11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.836 -1.485 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.120 -0.253 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.670 -0.160 -9.051 1.00 0.00 H new ATOM 1051 N GLU A 75 4.558 0.858 -13.089 1.00 0.00 N ATOM 1052 CA GLU A 75 4.192 1.869 -14.073 1.00 0.00 C ATOM 1053 C GLU A 75 3.165 2.842 -13.498 1.00 0.00 C ATOM 1054 O GLU A 75 3.160 4.025 -13.834 1.00 0.00 O ATOM 1055 CB GLU A 75 3.632 1.208 -15.334 1.00 0.00 C ATOM 1056 CG GLU A 75 2.743 2.123 -16.159 1.00 0.00 C ATOM 1057 CD GLU A 75 3.517 3.245 -16.824 1.00 0.00 C ATOM 1058 OE1 GLU A 75 4.700 3.031 -17.163 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.939 4.337 -17.005 1.00 0.00 O ATOM 0 H GLU A 75 4.130 -0.055 -13.243 1.00 0.00 H new ATOM 0 HA GLU A 75 5.092 2.427 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.461 0.866 -15.953 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.062 0.324 -15.048 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.233 1.536 -16.923 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.972 2.549 -15.517 1.00 0.00 H new ATOM 1066 N ALA A 76 2.298 2.332 -12.630 1.00 0.00 N ATOM 1067 CA ALA A 76 1.268 3.154 -12.006 1.00 0.00 C ATOM 1068 C ALA A 76 1.869 4.088 -10.961 1.00 0.00 C ATOM 1069 O ALA A 76 1.618 5.293 -10.974 1.00 0.00 O ATOM 1070 CB ALA A 76 0.199 2.273 -11.377 1.00 0.00 C ATOM 0 H ALA A 76 2.288 1.353 -12.343 1.00 0.00 H new ATOM 0 HA ALA A 76 0.808 3.767 -12.781 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.564 2.900 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.259 1.652 -12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.653 1.635 -10.619 1.00 0.00 H new ATOM 1076 N LEU A 77 2.663 3.524 -10.057 1.00 0.00 N ATOM 1077 CA LEU A 77 3.300 4.306 -9.004 1.00 0.00 C ATOM 1078 C LEU A 77 4.064 5.489 -9.590 1.00 0.00 C ATOM 1079 O LEU A 77 4.125 6.561 -8.989 1.00 0.00 O ATOM 1080 CB LEU A 77 4.248 3.425 -8.189 1.00 0.00 C ATOM 1081 CG LEU A 77 3.589 2.339 -7.337 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.618 1.310 -6.896 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.896 2.955 -6.130 1.00 0.00 C ATOM 0 H LEU A 77 2.881 2.528 -10.033 1.00 0.00 H new ATOM 0 HA LEU A 77 2.519 4.691 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.947 2.946 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.835 4.068 -7.533 1.00 0.00 H new ATOM 0 HG LEU A 77 2.837 1.834 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.131 0.545 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.068 0.846 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.393 1.800 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.433 2.168 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.628 3.486 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.130 3.653 -6.467 1.00 0.00 H new ATOM 1095 N SER A 78 4.644 5.286 -10.769 1.00 0.00 N ATOM 1096 CA SER A 78 5.407 6.335 -11.436 1.00 0.00 C ATOM 1097 C SER A 78 4.521 7.539 -11.741 1.00 0.00 C ATOM 1098 O SER A 78 4.824 8.663 -11.340 1.00 0.00 O ATOM 1099 CB SER A 78 6.024 5.801 -12.730 1.00 0.00 C ATOM 1100 OG SER A 78 6.784 6.802 -13.384 1.00 0.00 O ATOM 0 H SER A 78 4.600 4.405 -11.282 1.00 0.00 H new ATOM 0 HA SER A 78 6.205 6.653 -10.765 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.660 4.945 -12.507 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.235 5.447 -13.394 1.00 0.00 H new ATOM 0 HG SER A 78 7.169 6.435 -14.207 1.00 0.00 H new ATOM 1106 N ASP A 79 3.427 7.296 -12.454 1.00 0.00 N ATOM 1107 CA ASP A 79 2.496 8.359 -12.812 1.00 0.00 C ATOM 1108 C ASP A 79 2.149 9.211 -11.595 1.00 0.00 C ATOM 1109 O ASP A 79 2.095 10.438 -11.680 1.00 0.00 O ATOM 1110 CB ASP A 79 1.221 7.768 -13.417 1.00 0.00 C ATOM 1111 CG ASP A 79 0.514 8.740 -14.340 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.423 9.934 -13.988 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.050 8.305 -15.416 1.00 0.00 O ATOM 0 H ASP A 79 3.163 6.372 -12.796 1.00 0.00 H new ATOM 0 HA ASP A 79 2.979 8.996 -13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.471 6.862 -13.970 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.544 7.475 -12.615 1.00 0.00 H new ATOM 1118 N MET A 80 1.914 8.552 -10.466 1.00 0.00 N ATOM 1119 CA MET A 80 1.572 9.250 -9.231 1.00 0.00 C ATOM 1120 C MET A 80 2.782 9.995 -8.675 1.00 0.00 C ATOM 1121 O MET A 80 2.641 11.041 -8.043 1.00 0.00 O ATOM 1122 CB MET A 80 1.045 8.260 -8.190 1.00 0.00 C ATOM 1123 CG MET A 80 -0.222 7.541 -8.623 1.00 0.00 C ATOM 1124 SD MET A 80 -0.901 6.489 -7.325 1.00 0.00 S ATOM 1125 CE MET A 80 -1.001 7.651 -5.965 1.00 0.00 C ATOM 0 H MET A 80 1.954 7.536 -10.380 1.00 0.00 H new ATOM 0 HA MET A 80 0.792 9.977 -9.457 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.818 7.521 -7.979 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.851 8.793 -7.259 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.970 8.277 -8.918 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.008 6.934 -9.503 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.720 7.290 -5.230 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.021 7.749 -5.497 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.323 8.623 -6.340 1.00 0.00 H new ATOM 1135 N GLY A 81 3.970 9.448 -8.915 1.00 0.00 N ATOM 1136 CA GLY A 81 5.186 10.075 -8.431 1.00 0.00 C ATOM 1137 C GLY A 81 5.737 9.393 -7.194 1.00 0.00 C ATOM 1138 O GLY A 81 6.649 9.907 -6.547 1.00 0.00 O ATOM 0 H GLY A 81 4.112 8.582 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.939 10.056 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.986 11.123 -8.206 1.00 0.00 H new ATOM 1142 N LEU A 82 5.182 8.232 -6.864 1.00 0.00 N ATOM 1143 CA LEU A 82 5.623 7.478 -5.696 1.00 0.00 C ATOM 1144 C LEU A 82 6.902 6.705 -5.997 1.00 0.00 C ATOM 1145 O LEU A 82 6.872 5.491 -6.198 1.00 0.00 O ATOM 1146 CB LEU A 82 4.525 6.513 -5.243 1.00 0.00 C ATOM 1147 CG LEU A 82 3.198 7.152 -4.832 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.051 6.173 -5.030 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.257 7.622 -3.386 1.00 0.00 C ATOM 0 H LEU A 82 4.426 7.792 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 82 5.830 8.187 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.331 5.809 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.903 5.934 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 82 3.022 8.020 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.115 6.645 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.995 5.886 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.220 5.286 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.304 8.074 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.456 6.771 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.053 8.358 -3.275 1.00 0.00 H new ATOM 1161 N GLU A 83 8.025 7.416 -6.025 1.00 0.00 N ATOM 1162 CA GLU A 83 9.315 6.795 -6.300 1.00 0.00 C ATOM 1163 C GLU A 83 9.733 5.878 -5.155 1.00 0.00 C ATOM 1164 O GLU A 83 10.385 4.857 -5.371 1.00 0.00 O ATOM 1165 CB GLU A 83 10.384 7.867 -6.525 1.00 0.00 C ATOM 1166 CG GLU A 83 10.464 8.891 -5.405 1.00 0.00 C ATOM 1167 CD GLU A 83 11.622 9.855 -5.578 1.00 0.00 C ATOM 1168 OE1 GLU A 83 11.786 10.393 -6.693 1.00 0.00 O ATOM 1169 OE2 GLU A 83 12.364 10.071 -4.597 1.00 0.00 O ATOM 0 H GLU A 83 8.067 8.422 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 83 9.215 6.195 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.355 7.383 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.178 8.382 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.531 9.453 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.566 8.374 -4.451 1.00 0.00 H new ATOM 1176 N GLU A 84 9.352 6.250 -3.937 1.00 0.00 N ATOM 1177 CA GLU A 84 9.688 5.461 -2.757 1.00 0.00 C ATOM 1178 C GLU A 84 9.331 3.992 -2.965 1.00 0.00 C ATOM 1179 O GLU A 84 10.185 3.113 -2.855 1.00 0.00 O ATOM 1180 CB GLU A 84 8.959 6.005 -1.527 1.00 0.00 C ATOM 1181 CG GLU A 84 9.715 5.791 -0.227 1.00 0.00 C ATOM 1182 CD GLU A 84 11.082 6.446 -0.232 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.148 7.681 -0.057 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.086 5.725 -0.410 1.00 0.00 O ATOM 0 H GLU A 84 8.811 7.092 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 84 10.763 5.537 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.781 7.072 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.983 5.526 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.128 6.190 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.829 4.722 -0.050 1.00 0.00 H new ATOM 1191 N GLY A 85 8.062 3.735 -3.266 1.00 0.00 N ATOM 1192 CA GLY A 85 7.613 2.372 -3.484 1.00 0.00 C ATOM 1193 C GLY A 85 8.358 1.690 -4.615 1.00 0.00 C ATOM 1194 O GLY A 85 8.789 0.545 -4.482 1.00 0.00 O ATOM 0 H GLY A 85 7.337 4.446 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.746 1.798 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.546 2.375 -3.706 1.00 0.00 H new ATOM 1198 N VAL A 86 8.508 2.394 -5.732 1.00 0.00 N ATOM 1199 CA VAL A 86 9.206 1.849 -6.891 1.00 0.00 C ATOM 1200 C VAL A 86 10.585 1.326 -6.506 1.00 0.00 C ATOM 1201 O VAL A 86 10.985 0.238 -6.920 1.00 0.00 O ATOM 1202 CB VAL A 86 9.360 2.906 -8.001 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.375 2.448 -9.037 1.00 0.00 C ATOM 1204 CG2 VAL A 86 8.016 3.197 -8.650 1.00 0.00 C ATOM 0 H VAL A 86 8.156 3.343 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 86 8.601 1.024 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 86 9.727 3.829 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.471 3.207 -9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.342 2.296 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.041 1.512 -9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.144 3.946 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.617 2.281 -9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.322 3.573 -7.898 1.00 0.00 H new ATOM 1214 N ARG A 87 11.308 2.109 -5.712 1.00 0.00 N ATOM 1215 CA ARG A 87 12.644 1.725 -5.272 1.00 0.00 C ATOM 1216 C ARG A 87 12.589 0.481 -4.389 1.00 0.00 C ATOM 1217 O ARG A 87 13.376 -0.450 -4.560 1.00 0.00 O ATOM 1218 CB ARG A 87 13.303 2.876 -4.510 1.00 0.00 C ATOM 1219 CG ARG A 87 13.694 4.048 -5.395 1.00 0.00 C ATOM 1220 CD ARG A 87 14.874 4.813 -4.817 1.00 0.00 C ATOM 1221 NE ARG A 87 15.074 6.097 -5.485 1.00 0.00 N ATOM 1222 CZ ARG A 87 16.191 6.810 -5.388 1.00 0.00 C ATOM 1223 NH1 ARG A 87 17.202 6.366 -4.655 1.00 0.00 N ATOM 1224 NH2 ARG A 87 16.297 7.968 -6.026 1.00 0.00 N ATOM 0 H ARG A 87 10.991 3.013 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 87 13.239 1.496 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.619 3.227 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.192 2.502 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.947 3.685 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.843 4.720 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.711 4.980 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.778 4.211 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 87 14.315 6.466 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 87 17.123 5.475 -4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.059 6.915 -4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.521 8.312 -6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.155 8.515 -5.951 1.00 0.00 H new ATOM 1238 N LEU A 88 11.656 0.474 -3.444 1.00 0.00 N ATOM 1239 CA LEU A 88 11.498 -0.654 -2.533 1.00 0.00 C ATOM 1240 C LEU A 88 11.227 -1.943 -3.304 1.00 0.00 C ATOM 1241 O LEU A 88 11.953 -2.928 -3.162 1.00 0.00 O ATOM 1242 CB LEU A 88 10.357 -0.386 -1.550 1.00 0.00 C ATOM 1243 CG LEU A 88 9.785 -1.611 -0.835 1.00 0.00 C ATOM 1244 CD1 LEU A 88 10.637 -1.971 0.372 1.00 0.00 C ATOM 1245 CD2 LEU A 88 8.344 -1.359 -0.416 1.00 0.00 C ATOM 0 H LEU A 88 10.997 1.237 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 88 12.428 -0.773 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.711 0.317 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.548 0.106 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 88 9.800 -2.452 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.215 -2.845 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.653 -2.194 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.655 -1.132 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.953 -2.241 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.306 -0.505 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.740 -1.150 -1.299 1.00 0.00 H new ATOM 1257 N LEU A 89 10.181 -1.928 -4.122 1.00 0.00 N ATOM 1258 CA LEU A 89 9.815 -3.095 -4.918 1.00 0.00 C ATOM 1259 C LEU A 89 11.029 -3.654 -5.653 1.00 0.00 C ATOM 1260 O LEU A 89 11.290 -4.857 -5.616 1.00 0.00 O ATOM 1261 CB LEU A 89 8.721 -2.729 -5.922 1.00 0.00 C ATOM 1262 CG LEU A 89 7.408 -2.217 -5.328 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.576 -1.521 -6.393 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.626 -3.361 -4.700 1.00 0.00 C ATOM 0 H LEU A 89 9.571 -1.121 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 89 9.437 -3.862 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.114 -1.967 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.504 -3.608 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 89 7.642 -1.492 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.646 -1.163 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.134 -0.676 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.351 -2.224 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.695 -2.979 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.403 -4.109 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.220 -3.815 -3.907 1.00 0.00 H new ATOM 1276 N ARG A 90 11.770 -2.773 -6.318 1.00 0.00 N ATOM 1277 CA ARG A 90 12.957 -3.179 -7.060 1.00 0.00 C ATOM 1278 C ARG A 90 13.951 -3.893 -6.149 1.00 0.00 C ATOM 1279 O ARG A 90 14.457 -4.963 -6.483 1.00 0.00 O ATOM 1280 CB ARG A 90 13.623 -1.962 -7.704 1.00 0.00 C ATOM 1281 CG ARG A 90 12.910 -1.466 -8.951 1.00 0.00 C ATOM 1282 CD ARG A 90 13.816 -0.587 -9.799 1.00 0.00 C ATOM 1283 NE ARG A 90 13.944 0.760 -9.247 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.626 1.734 -9.839 1.00 0.00 C ATOM 1285 NH1 ARG A 90 15.238 1.513 -10.994 1.00 0.00 N ATOM 1286 NH2 ARG A 90 14.697 2.933 -9.275 1.00 0.00 N ATOM 0 H ARG A 90 11.569 -1.774 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 90 12.646 -3.871 -7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.666 -1.153 -6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.652 -2.215 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.572 -2.318 -9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.021 -0.904 -8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.803 -1.045 -9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.419 -0.527 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 90 13.485 0.963 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.186 0.593 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.761 2.263 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.228 3.107 -8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.221 3.680 -9.730 1.00 0.00 H new