USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 35 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-4.3!) USER MOD Single : A 22 GLN : amide:sc= -0.365 K(o=-0.36,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 52 THR OG1 : rot -59:sc= 0.0529 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -170:sc= -0.115 USER MOD Single : A 66 SER OG : rot 140:sc= 0.742 USER MOD Single : A 69 TYR OH : rot -39:sc= 1.69 USER MOD Single : A 73 THR OG1 : rot 14:sc= 0.181 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 82 THR OG1 : rot 102:sc= 0.927 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.427 4.462 2.190 1.00 0.00 N ATOM 98 CA VAL A 10 11.658 3.248 1.942 1.00 0.00 C ATOM 99 C VAL A 10 11.471 2.445 3.225 1.00 0.00 C ATOM 100 O VAL A 10 12.322 1.634 3.590 1.00 0.00 O ATOM 101 CB VAL A 10 12.340 2.357 0.887 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.496 1.124 0.603 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.595 3.145 -0.390 1.00 0.00 C ATOM 0 HA VAL A 10 10.684 3.561 1.567 1.00 0.00 H new ATOM 0 HB VAL A 10 13.301 2.026 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.994 0.507 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.369 0.550 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.519 1.430 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.077 2.501 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.648 3.506 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.243 3.994 -0.171 1.00 0.00 H new ATOM 113 N GLU A 11 10.352 2.677 3.904 1.00 0.00 N ATOM 114 CA GLU A 11 10.054 1.975 5.146 1.00 0.00 C ATOM 115 C GLU A 11 9.922 0.474 4.905 1.00 0.00 C ATOM 116 O GLU A 11 8.994 0.021 4.236 1.00 0.00 O ATOM 117 CB GLU A 11 8.765 2.517 5.768 1.00 0.00 C ATOM 118 CG GLU A 11 8.731 2.416 7.284 1.00 0.00 C ATOM 119 CD GLU A 11 7.784 3.418 7.915 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.830 4.604 7.524 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.998 3.018 8.798 1.00 0.00 O ATOM 0 H GLU A 11 9.638 3.345 3.615 1.00 0.00 H new ATOM 0 HA GLU A 11 10.881 2.144 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.643 3.561 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.916 1.971 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.431 1.408 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.735 2.573 7.677 1.00 0.00 H new ATOM 128 N SER A 12 10.859 -0.292 5.454 1.00 0.00 N ATOM 129 CA SER A 12 10.851 -1.742 5.296 1.00 0.00 C ATOM 130 C SER A 12 9.916 -2.394 6.309 1.00 0.00 C ATOM 131 O SER A 12 9.717 -1.879 7.409 1.00 0.00 O ATOM 132 CB SER A 12 12.266 -2.301 5.457 1.00 0.00 C ATOM 133 OG SER A 12 12.234 -3.666 5.836 1.00 0.00 O ATOM 0 H SER A 12 11.634 0.067 6.012 1.00 0.00 H new ATOM 0 HA SER A 12 10.489 -1.972 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.812 -2.193 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.805 -1.724 6.208 1.00 0.00 H new ATOM 0 HG SER A 12 13.150 -4.001 5.931 1.00 0.00 H new ATOM 139 N PHE A 13 9.343 -3.531 5.929 1.00 0.00 N ATOM 140 CA PHE A 13 8.427 -4.255 6.803 1.00 0.00 C ATOM 141 C PHE A 13 8.637 -5.762 6.683 1.00 0.00 C ATOM 142 O PHE A 13 9.412 -6.227 5.847 1.00 0.00 O ATOM 143 CB PHE A 13 6.977 -3.902 6.462 1.00 0.00 C ATOM 144 CG PHE A 13 6.520 -2.603 7.061 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.771 -1.402 6.417 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.838 -2.583 8.266 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.352 -0.205 6.967 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.416 -1.389 8.821 1.00 0.00 C ATOM 149 CZ PHE A 13 5.672 -0.199 8.169 1.00 0.00 C ATOM 0 H PHE A 13 9.497 -3.971 5.022 1.00 0.00 H new ATOM 0 HA PHE A 13 8.634 -3.958 7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.869 -3.851 5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.325 -4.703 6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.300 -1.401 5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.633 -3.511 8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.556 0.725 6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.887 -1.387 9.763 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.341 0.735 8.598 1.00 0.00 H new ATOM 159 N LEU A 14 7.941 -6.519 7.524 1.00 0.00 N ATOM 160 CA LEU A 14 8.051 -7.973 7.514 1.00 0.00 C ATOM 161 C LEU A 14 6.875 -8.613 8.246 1.00 0.00 C ATOM 162 O LEU A 14 6.619 -8.313 9.412 1.00 0.00 O ATOM 163 CB LEU A 14 9.367 -8.410 8.160 1.00 0.00 C ATOM 164 CG LEU A 14 9.787 -9.859 7.914 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.656 -10.811 8.268 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.215 -10.051 6.466 1.00 0.00 C ATOM 0 H LEU A 14 7.295 -6.150 8.221 1.00 0.00 H new ATOM 0 HA LEU A 14 8.035 -8.306 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.161 -7.756 7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.290 -8.253 9.236 1.00 0.00 H new ATOM 0 HG LEU A 14 10.638 -10.085 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.974 -11.838 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.396 -10.692 9.320 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.785 -10.587 7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.511 -11.088 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.383 -9.806 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.058 -9.396 6.246 1.00 0.00 H new ATOM 178 N VAL A 15 6.164 -9.498 7.553 1.00 0.00 N ATOM 179 CA VAL A 15 5.018 -10.183 8.138 1.00 0.00 C ATOM 180 C VAL A 15 4.884 -11.598 7.588 1.00 0.00 C ATOM 181 O VAL A 15 5.734 -12.063 6.828 1.00 0.00 O ATOM 182 CB VAL A 15 3.709 -9.415 7.872 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.777 -8.020 8.475 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.427 -9.346 6.378 1.00 0.00 C ATOM 0 H VAL A 15 6.362 -9.757 6.586 1.00 0.00 H new ATOM 0 HA VAL A 15 5.192 -10.229 9.213 1.00 0.00 H new ATOM 0 HB VAL A 15 2.889 -9.952 8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.844 -7.492 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.930 -8.096 9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.606 -7.471 8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.499 -8.800 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.247 -8.833 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.333 -10.356 5.979 1.00 0.00 H new ATOM 194 N HIS A 16 3.811 -12.279 7.976 1.00 0.00 N ATOM 195 CA HIS A 16 3.565 -13.643 7.520 1.00 0.00 C ATOM 196 C HIS A 16 2.115 -13.814 7.076 1.00 0.00 C ATOM 197 O HIS A 16 1.270 -12.943 7.282 1.00 0.00 O ATOM 198 CB HIS A 16 3.891 -14.641 8.632 1.00 0.00 C ATOM 199 CG HIS A 16 2.685 -15.336 9.185 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.589 -16.708 9.291 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.521 -14.841 9.667 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.418 -17.026 9.812 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.751 -15.911 10.050 1.00 0.00 N ATOM 0 H HIS A 16 3.098 -11.909 8.605 1.00 0.00 H new ATOM 0 HA HIS A 16 4.214 -13.837 6.666 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.586 -15.387 8.247 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.401 -14.118 9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.249 -13.798 9.737 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.066 -18.028 10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.184 -15.854 10.453 1.00 0.00 H new ATOM 212 N PRO A 17 1.819 -14.963 6.451 1.00 0.00 N ATOM 213 CA PRO A 17 0.472 -15.275 5.964 1.00 0.00 C ATOM 214 C PRO A 17 -0.512 -15.527 7.102 1.00 0.00 C ATOM 215 O PRO A 17 -0.612 -16.640 7.615 1.00 0.00 O ATOM 216 CB PRO A 17 0.678 -16.551 5.144 1.00 0.00 C ATOM 217 CG PRO A 17 1.897 -17.182 5.723 1.00 0.00 C ATOM 218 CD PRO A 17 2.776 -16.047 6.172 1.00 0.00 C ATOM 0 HA PRO A 17 0.043 -14.450 5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.184 -17.213 5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.814 -16.324 4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.640 -17.832 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.405 -17.801 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.353 -16.312 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.491 -15.763 5.400 1.00 0.00 H new ATOM 226 N GLY A 18 -1.238 -14.483 7.492 1.00 0.00 N ATOM 227 CA GLY A 18 -2.205 -14.612 8.567 1.00 0.00 C ATOM 228 C GLY A 18 -2.120 -13.472 9.563 1.00 0.00 C ATOM 229 O GLY A 18 -2.951 -13.364 10.464 1.00 0.00 O ATOM 0 H GLY A 18 -1.174 -13.551 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.210 -14.648 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.043 -15.557 9.086 1.00 0.00 H new ATOM 233 N ASP A 19 -1.113 -12.622 9.401 1.00 0.00 N ATOM 234 CA ASP A 19 -0.922 -11.484 10.294 1.00 0.00 C ATOM 235 C ASP A 19 -1.688 -10.265 9.792 1.00 0.00 C ATOM 236 O ASP A 19 -2.442 -10.348 8.821 1.00 0.00 O ATOM 237 CB ASP A 19 0.565 -11.151 10.420 1.00 0.00 C ATOM 238 CG ASP A 19 1.241 -11.928 11.533 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.735 -13.012 11.892 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.276 -11.453 12.044 1.00 0.00 O ATOM 0 H ASP A 19 -0.416 -12.699 8.660 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.310 -11.755 11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.064 -11.367 9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.681 -10.083 10.605 1.00 0.00 H new ATOM 245 N LEU A 20 -1.492 -9.133 10.459 1.00 0.00 N ATOM 246 CA LEU A 20 -2.165 -7.895 10.081 1.00 0.00 C ATOM 247 C LEU A 20 -1.172 -6.886 9.514 1.00 0.00 C ATOM 248 O LEU A 20 -0.368 -6.310 10.248 1.00 0.00 O ATOM 249 CB LEU A 20 -2.886 -7.294 11.290 1.00 0.00 C ATOM 250 CG LEU A 20 -3.743 -6.059 11.013 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.888 -6.403 10.073 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.276 -5.478 12.315 1.00 0.00 C ATOM 0 H LEU A 20 -0.872 -9.047 11.265 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.897 -8.130 9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.523 -8.063 11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.140 -7.033 12.040 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.118 -5.307 10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.487 -5.511 9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.486 -6.773 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.513 -7.172 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.884 -4.599 12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.885 -6.225 12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.441 -5.193 12.955 1.00 0.00 H new ATOM 264 N LEU A 21 -1.234 -6.676 8.204 1.00 0.00 N ATOM 265 CA LEU A 21 -0.341 -5.734 7.537 1.00 0.00 C ATOM 266 C LEU A 21 -0.833 -4.301 7.712 1.00 0.00 C ATOM 267 O LEU A 21 -1.772 -3.871 7.042 1.00 0.00 O ATOM 268 CB LEU A 21 -0.232 -6.070 6.049 1.00 0.00 C ATOM 269 CG LEU A 21 0.607 -5.111 5.204 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.037 -5.057 5.720 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.583 -5.529 3.741 1.00 0.00 C ATOM 0 H LEU A 21 -1.893 -7.145 7.582 1.00 0.00 H new ATOM 0 HA LEU A 21 0.644 -5.819 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.189 -7.071 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.238 -6.106 5.631 1.00 0.00 H new ATOM 0 HG LEU A 21 0.175 -4.114 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.619 -4.370 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.038 -4.711 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.480 -6.052 5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.185 -4.835 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.990 -6.535 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.444 -5.516 3.376 1.00 0.00 H new ATOM 283 N GLN A 22 -0.191 -3.566 8.614 1.00 0.00 N ATOM 284 CA GLN A 22 -0.563 -2.180 8.875 1.00 0.00 C ATOM 285 C GLN A 22 0.494 -1.222 8.335 1.00 0.00 C ATOM 286 O GLN A 22 1.683 -1.367 8.620 1.00 0.00 O ATOM 287 CB GLN A 22 -0.752 -1.955 10.376 1.00 0.00 C ATOM 288 CG GLN A 22 -2.172 -2.213 10.855 1.00 0.00 C ATOM 289 CD GLN A 22 -2.443 -1.618 12.223 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.724 -0.729 12.680 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.485 -2.107 12.886 1.00 0.00 N ATOM 0 H GLN A 22 0.589 -3.907 9.176 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.504 -1.980 8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.069 -2.606 10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.476 -0.929 10.619 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.876 -1.795 10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.351 -3.288 10.888 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.054 -2.844 12.470 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.716 -1.746 13.811 1.00 0.00 H new ATOM 300 N LEU A 23 0.052 -0.243 7.553 1.00 0.00 N ATOM 301 CA LEU A 23 0.960 0.740 6.972 1.00 0.00 C ATOM 302 C LEU A 23 0.535 2.158 7.339 1.00 0.00 C ATOM 303 O LEU A 23 -0.590 2.383 7.786 1.00 0.00 O ATOM 304 CB LEU A 23 1.004 0.586 5.450 1.00 0.00 C ATOM 305 CG LEU A 23 1.559 -0.738 4.925 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.446 -0.801 3.410 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.005 -0.921 5.363 1.00 0.00 C ATOM 0 H LEU A 23 -0.929 -0.109 7.307 1.00 0.00 H new ATOM 0 HA LEU A 23 1.956 0.563 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.007 0.712 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.606 1.397 5.040 1.00 0.00 H new ATOM 0 HG LEU A 23 0.967 -1.551 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.846 -1.751 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.399 -0.717 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.012 0.019 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.384 -1.869 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.610 -0.103 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.058 -0.922 6.452 1.00 0.00 H new ATOM 319 N ARG A 24 1.441 3.111 7.144 1.00 0.00 N ATOM 320 CA ARG A 24 1.159 4.508 7.454 1.00 0.00 C ATOM 321 C ARG A 24 1.775 5.432 6.408 1.00 0.00 C ATOM 322 O ARG A 24 2.855 5.159 5.882 1.00 0.00 O ATOM 323 CB ARG A 24 1.695 4.862 8.842 1.00 0.00 C ATOM 324 CG ARG A 24 1.049 6.099 9.447 1.00 0.00 C ATOM 325 CD ARG A 24 1.687 6.465 10.778 1.00 0.00 C ATOM 326 NE ARG A 24 0.870 7.412 11.533 1.00 0.00 N ATOM 327 CZ ARG A 24 1.128 7.768 12.787 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.174 7.258 13.422 1.00 0.00 N ATOM 329 NH2 ARG A 24 0.338 8.635 13.407 1.00 0.00 N ATOM 0 H ARG A 24 2.376 2.941 6.773 1.00 0.00 H new ATOM 0 HA ARG A 24 0.078 4.646 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.536 4.016 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.772 5.019 8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.143 6.936 8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.017 5.922 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.835 5.562 11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.672 6.896 10.602 1.00 0.00 H new ATOM 0 HE ARG A 24 0.057 7.822 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.783 6.591 12.948 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.370 7.533 14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.468 9.029 12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.536 8.908 14.370 1.00 0.00 H new ATOM 343 N CYS A 25 1.081 6.525 6.110 1.00 0.00 N ATOM 344 CA CYS A 25 1.558 7.489 5.126 1.00 0.00 C ATOM 345 C CYS A 25 1.737 8.867 5.757 1.00 0.00 C ATOM 346 O CYS A 25 0.772 9.486 6.204 1.00 0.00 O ATOM 347 CB CYS A 25 0.581 7.577 3.951 1.00 0.00 C ATOM 348 SG CYS A 25 0.976 8.891 2.753 1.00 0.00 S ATOM 0 H CYS A 25 0.186 6.765 6.536 1.00 0.00 H new ATOM 0 HA CYS A 25 2.526 7.148 4.760 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.567 6.619 3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.424 7.744 4.339 1.00 0.00 H new ATOM 353 N ARG A 26 2.979 9.341 5.788 1.00 0.00 N ATOM 354 CA ARG A 26 3.285 10.644 6.365 1.00 0.00 C ATOM 355 C ARG A 26 2.535 11.753 5.631 1.00 0.00 C ATOM 356 O ARG A 26 2.838 12.064 4.479 1.00 0.00 O ATOM 357 CB ARG A 26 4.790 10.909 6.310 1.00 0.00 C ATOM 358 CG ARG A 26 5.543 10.399 7.527 1.00 0.00 C ATOM 359 CD ARG A 26 7.044 10.365 7.281 1.00 0.00 C ATOM 360 NE ARG A 26 7.805 10.574 8.509 1.00 0.00 N ATOM 361 CZ ARG A 26 7.952 11.760 9.090 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.392 12.837 8.556 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.660 11.870 10.206 1.00 0.00 N ATOM 0 H ARG A 26 3.789 8.842 5.420 1.00 0.00 H new ATOM 0 HA ARG A 26 2.962 10.638 7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.201 10.439 5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.958 11.982 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.328 11.038 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.192 9.399 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.318 9.405 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.310 11.133 6.555 1.00 0.00 H new ATOM 0 HE ARG A 26 8.248 9.765 8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.847 12.756 7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.506 13.746 9.004 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.092 11.044 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.772 12.781 10.651 1.00 0.00 H new ATOM 477 N SER A 33 -5.270 15.329 -0.269 1.00 0.00 N ATOM 478 CA SER A 33 -5.720 13.975 -0.568 1.00 0.00 C ATOM 479 C SER A 33 -4.557 12.989 -0.508 1.00 0.00 C ATOM 480 O SER A 33 -3.411 13.378 -0.280 1.00 0.00 O ATOM 481 CB SER A 33 -6.375 13.926 -1.950 1.00 0.00 C ATOM 482 OG SER A 33 -7.766 14.182 -1.865 1.00 0.00 O ATOM 0 HA SER A 33 -6.454 13.689 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.906 14.661 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.209 12.947 -2.400 1.00 0.00 H new ATOM 0 HG SER A 33 -8.161 14.147 -2.761 1.00 0.00 H new ATOM 488 N ILE A 34 -4.861 11.712 -0.714 1.00 0.00 N ATOM 489 CA ILE A 34 -3.842 10.671 -0.685 1.00 0.00 C ATOM 490 C ILE A 34 -4.073 9.644 -1.788 1.00 0.00 C ATOM 491 O ILE A 34 -5.212 9.336 -2.135 1.00 0.00 O ATOM 492 CB ILE A 34 -3.814 9.948 0.675 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.986 10.954 1.816 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.515 9.173 0.837 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.366 10.315 3.133 1.00 0.00 C ATOM 0 H ILE A 34 -5.805 11.374 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.883 11.164 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.643 9.241 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.056 11.507 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.752 11.678 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.511 8.668 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.431 8.434 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.672 9.861 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.471 11.087 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.312 9.785 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.590 9.612 3.434 1.00 0.00 H new ATOM 507 N ASN A 35 -2.982 9.117 -2.336 1.00 0.00 N ATOM 508 CA ASN A 35 -3.066 8.124 -3.401 1.00 0.00 C ATOM 509 C ASN A 35 -2.190 6.915 -3.086 1.00 0.00 C ATOM 510 O ASN A 35 -0.971 6.958 -3.252 1.00 0.00 O ATOM 511 CB ASN A 35 -2.643 8.740 -4.736 1.00 0.00 C ATOM 512 CG ASN A 35 -3.315 8.071 -5.920 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.476 8.344 -6.224 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.586 7.190 -6.593 1.00 0.00 N ATOM 0 H ASN A 35 -2.031 9.361 -2.060 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.102 7.792 -3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.886 9.802 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.561 8.661 -4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.984 6.708 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.627 6.995 -6.305 1.00 0.00 H new ATOM 521 N TRP A 36 -2.820 5.838 -2.631 1.00 0.00 N ATOM 522 CA TRP A 36 -2.099 4.616 -2.294 1.00 0.00 C ATOM 523 C TRP A 36 -1.740 3.831 -3.551 1.00 0.00 C ATOM 524 O TRP A 36 -2.554 3.698 -4.465 1.00 0.00 O ATOM 525 CB TRP A 36 -2.938 3.746 -1.356 1.00 0.00 C ATOM 526 CG TRP A 36 -2.822 4.143 0.084 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.739 4.840 0.819 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.726 3.868 0.964 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.279 5.015 2.101 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.047 4.427 2.217 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.507 3.202 0.816 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.191 4.340 3.311 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.342 3.117 1.903 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.003 3.682 3.138 1.00 0.00 C ATOM 0 H TRP A 36 -3.828 5.786 -2.487 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.175 4.897 -1.788 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.984 3.803 -1.658 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.631 2.706 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.686 5.200 0.446 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.775 5.504 2.847 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.233 2.761 -0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.455 4.776 4.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.288 2.606 1.799 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.681 3.597 3.969 1.00 0.00 H new ATOM 545 N LEU A 37 -0.518 3.311 -3.590 1.00 0.00 N ATOM 546 CA LEU A 37 -0.052 2.538 -4.736 1.00 0.00 C ATOM 547 C LEU A 37 0.675 1.276 -4.282 1.00 0.00 C ATOM 548 O LEU A 37 1.120 1.182 -3.138 1.00 0.00 O ATOM 549 CB LEU A 37 0.875 3.388 -5.607 1.00 0.00 C ATOM 550 CG LEU A 37 0.233 4.598 -6.287 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.251 5.715 -6.461 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.360 4.201 -7.631 1.00 0.00 C ATOM 0 H LEU A 37 0.168 3.411 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.922 2.243 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.701 3.740 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.304 2.748 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.572 4.964 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.776 6.568 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.629 6.018 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.078 5.361 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.813 5.074 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.428 3.810 -8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.120 3.435 -7.481 1.00 0.00 H new ATOM 564 N ARG A 38 0.793 0.310 -5.186 1.00 0.00 N ATOM 565 CA ARG A 38 1.467 -0.946 -4.879 1.00 0.00 C ATOM 566 C ARG A 38 2.091 -1.550 -6.134 1.00 0.00 C ATOM 567 O ARG A 38 1.385 -1.932 -7.067 1.00 0.00 O ATOM 568 CB ARG A 38 0.482 -1.939 -4.258 1.00 0.00 C ATOM 569 CG ARG A 38 1.121 -3.258 -3.853 1.00 0.00 C ATOM 570 CD ARG A 38 0.223 -4.046 -2.913 1.00 0.00 C ATOM 571 NE ARG A 38 -0.712 -4.902 -3.639 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.641 -5.644 -3.046 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.760 -5.633 -1.726 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.455 -6.397 -3.775 1.00 0.00 N ATOM 0 H ARG A 38 0.431 0.373 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 38 2.262 -0.737 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.023 -1.483 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.319 -2.137 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.328 -3.852 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.078 -3.066 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.837 -4.658 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.334 -3.355 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.648 -4.932 -4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.137 -5.054 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.474 -6.204 -1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.368 -6.406 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.168 -6.966 -3.319 1.00 0.00 H new ATOM 588 N ASP A 39 3.417 -1.631 -6.148 1.00 0.00 N ATOM 589 CA ASP A 39 4.136 -2.188 -7.288 1.00 0.00 C ATOM 590 C ASP A 39 3.952 -1.316 -8.526 1.00 0.00 C ATOM 591 O ASP A 39 4.048 -1.795 -9.655 1.00 0.00 O ATOM 592 CB ASP A 39 3.655 -3.611 -7.576 1.00 0.00 C ATOM 593 CG ASP A 39 4.741 -4.479 -8.181 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.845 -4.539 -7.599 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.487 -5.098 -9.235 1.00 0.00 O ATOM 0 H ASP A 39 4.015 -1.318 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 39 5.197 -2.215 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.304 -4.067 -6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.804 -3.573 -8.256 1.00 0.00 H new ATOM 600 N GLY A 40 3.687 -0.032 -8.305 1.00 0.00 N ATOM 601 CA GLY A 40 3.493 0.887 -9.411 1.00 0.00 C ATOM 602 C GLY A 40 2.083 0.836 -9.966 1.00 0.00 C ATOM 603 O GLY A 40 1.887 0.810 -11.181 1.00 0.00 O ATOM 0 H GLY A 40 3.603 0.388 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.713 1.902 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.202 0.650 -10.205 1.00 0.00 H new ATOM 607 N VAL A 41 1.098 0.821 -9.074 1.00 0.00 N ATOM 608 CA VAL A 41 -0.302 0.773 -9.481 1.00 0.00 C ATOM 609 C VAL A 41 -1.222 1.166 -8.331 1.00 0.00 C ATOM 610 O VAL A 41 -0.876 0.999 -7.162 1.00 0.00 O ATOM 611 CB VAL A 41 -0.693 -0.630 -9.981 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.821 -1.597 -8.813 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.987 -0.570 -10.778 1.00 0.00 C ATOM 0 H VAL A 41 1.243 0.841 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.420 1.487 -10.296 1.00 0.00 H new ATOM 0 HB VAL A 41 0.096 -0.995 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.098 -2.583 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.132 -1.662 -8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.589 -1.240 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.248 -1.570 -11.124 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.786 -0.184 -10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.855 0.088 -11.637 1.00 0.00 H new ATOM 623 N GLN A 42 -2.396 1.687 -8.672 1.00 0.00 N ATOM 624 CA GLN A 42 -3.367 2.104 -7.667 1.00 0.00 C ATOM 625 C GLN A 42 -3.749 0.937 -6.762 1.00 0.00 C ATOM 626 O GLN A 42 -4.033 -0.164 -7.237 1.00 0.00 O ATOM 627 CB GLN A 42 -4.617 2.673 -8.340 1.00 0.00 C ATOM 628 CG GLN A 42 -5.689 3.117 -7.357 1.00 0.00 C ATOM 629 CD GLN A 42 -5.541 4.570 -6.951 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.510 4.864 -6.168 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.345 5.419 -7.337 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.698 1.830 -9.636 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.908 2.880 -7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.331 3.522 -8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.036 1.919 -9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.672 2.967 -7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.644 2.489 -6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.123 5.148 -7.938 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.233 6.393 -7.056 1.00 0.00 H new ATOM 640 N LEU A 43 -3.753 1.184 -5.457 1.00 0.00 N ATOM 641 CA LEU A 43 -4.099 0.153 -4.484 1.00 0.00 C ATOM 642 C LEU A 43 -5.611 0.063 -4.301 1.00 0.00 C ATOM 643 O LEU A 43 -6.335 1.027 -4.551 1.00 0.00 O ATOM 644 CB LEU A 43 -3.428 0.446 -3.141 1.00 0.00 C ATOM 645 CG LEU A 43 -3.550 -0.646 -2.078 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.895 -1.933 -2.557 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.930 -0.186 -0.767 1.00 0.00 C ATOM 0 H LEU A 43 -3.521 2.089 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.739 -0.804 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.369 0.635 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.852 1.366 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.608 -0.843 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.992 -2.699 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.384 -2.272 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.839 -1.751 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.026 -0.976 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.875 0.039 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.444 0.709 -0.415 1.00 0.00 H new ATOM 659 N ALA A 44 -6.080 -1.100 -3.862 1.00 0.00 N ATOM 660 CA ALA A 44 -7.505 -1.315 -3.642 1.00 0.00 C ATOM 661 C ALA A 44 -7.759 -1.964 -2.286 1.00 0.00 C ATOM 662 O ALA A 44 -6.906 -2.679 -1.761 1.00 0.00 O ATOM 663 CB ALA A 44 -8.088 -2.170 -4.757 1.00 0.00 C ATOM 0 H ALA A 44 -5.494 -1.908 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.999 -0.344 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.153 -2.322 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.948 -1.666 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.582 -3.135 -4.778 1.00 0.00 H new ATOM 669 N GLU A 45 -8.937 -1.709 -1.724 1.00 0.00 N ATOM 670 CA GLU A 45 -9.301 -2.269 -0.428 1.00 0.00 C ATOM 671 C GLU A 45 -10.201 -3.490 -0.596 1.00 0.00 C ATOM 672 O GLU A 45 -10.854 -3.656 -1.626 1.00 0.00 O ATOM 673 CB GLU A 45 -10.007 -1.215 0.427 1.00 0.00 C ATOM 674 CG GLU A 45 -9.568 0.208 0.125 1.00 0.00 C ATOM 675 CD GLU A 45 -10.571 1.242 0.600 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.071 1.106 1.735 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.855 2.187 -0.166 1.00 0.00 O ATOM 0 H GLU A 45 -9.654 -1.119 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.385 -2.581 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.083 -1.295 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.820 -1.428 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.605 0.396 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.420 0.318 -0.949 1.00 0.00 H new ATOM 684 N SER A 46 -10.229 -4.342 0.424 1.00 0.00 N ATOM 685 CA SER A 46 -11.044 -5.550 0.389 1.00 0.00 C ATOM 686 C SER A 46 -11.351 -6.040 1.801 1.00 0.00 C ATOM 687 O SER A 46 -10.956 -5.417 2.785 1.00 0.00 O ATOM 688 CB SER A 46 -10.331 -6.649 -0.401 1.00 0.00 C ATOM 689 OG SER A 46 -11.263 -7.511 -1.031 1.00 0.00 O ATOM 0 H SER A 46 -9.696 -4.218 1.285 1.00 0.00 H new ATOM 0 HA SER A 46 -11.985 -5.309 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.682 -6.199 -1.152 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.692 -7.226 0.268 1.00 0.00 H new ATOM 0 HG SER A 46 -10.782 -8.203 -1.531 1.00 0.00 H new ATOM 695 N ASN A 47 -12.059 -7.161 1.891 1.00 0.00 N ATOM 696 CA ASN A 47 -12.420 -7.735 3.182 1.00 0.00 C ATOM 697 C ASN A 47 -11.242 -7.684 4.149 1.00 0.00 C ATOM 698 O ASN A 47 -11.420 -7.480 5.350 1.00 0.00 O ATOM 699 CB ASN A 47 -12.888 -9.182 3.007 1.00 0.00 C ATOM 700 CG ASN A 47 -14.382 -9.281 2.766 1.00 0.00 C ATOM 701 OD1 ASN A 47 -15.166 -9.413 3.706 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.784 -9.217 1.502 1.00 0.00 N ATOM 0 H ASN A 47 -12.394 -7.690 1.086 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.235 -7.144 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.357 -9.634 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.627 -9.755 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.778 -9.278 1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.099 -9.107 0.754 1.00 0.00 H new ATOM 709 N ARG A 48 -10.038 -7.870 3.617 1.00 0.00 N ATOM 710 CA ARG A 48 -8.830 -7.845 4.432 1.00 0.00 C ATOM 711 C ARG A 48 -8.171 -6.470 4.386 1.00 0.00 C ATOM 712 O ARG A 48 -7.953 -5.838 5.421 1.00 0.00 O ATOM 713 CB ARG A 48 -7.843 -8.911 3.953 1.00 0.00 C ATOM 714 CG ARG A 48 -8.323 -10.334 4.189 1.00 0.00 C ATOM 715 CD ARG A 48 -7.444 -11.345 3.468 1.00 0.00 C ATOM 716 NE ARG A 48 -7.511 -11.192 2.017 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.578 -11.644 1.186 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.512 -12.274 1.661 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.711 -11.467 -0.122 1.00 0.00 N ATOM 0 H ARG A 48 -9.874 -8.040 2.625 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.114 -8.059 5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.658 -8.771 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.891 -8.768 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.323 -10.547 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.352 -10.434 3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.412 -11.228 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.753 -12.354 3.741 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.318 -10.712 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.407 -12.412 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.797 -12.620 1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.530 -10.984 -0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.994 -11.814 -0.759 1.00 0.00 H new ATOM 733 N THR A 49 -7.855 -6.010 3.180 1.00 0.00 N ATOM 734 CA THR A 49 -7.220 -4.711 2.998 1.00 0.00 C ATOM 735 C THR A 49 -8.167 -3.578 3.375 1.00 0.00 C ATOM 736 O THR A 49 -9.341 -3.589 3.003 1.00 0.00 O ATOM 737 CB THR A 49 -6.752 -4.513 1.544 1.00 0.00 C ATOM 738 OG1 THR A 49 -6.021 -5.662 1.103 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.880 -3.273 1.421 1.00 0.00 C ATOM 0 H THR A 49 -8.029 -6.519 2.313 1.00 0.00 H new ATOM 0 HA THR A 49 -6.352 -4.689 3.657 1.00 0.00 H new ATOM 0 HB THR A 49 -7.634 -4.382 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.729 -5.528 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.561 -3.154 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.449 -2.396 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.004 -3.380 2.060 1.00 0.00 H new ATOM 747 N ARG A 50 -7.651 -2.601 4.113 1.00 0.00 N ATOM 748 CA ARG A 50 -8.452 -1.461 4.539 1.00 0.00 C ATOM 749 C ARG A 50 -7.643 -0.169 4.465 1.00 0.00 C ATOM 750 O ARG A 50 -6.764 0.073 5.292 1.00 0.00 O ATOM 751 CB ARG A 50 -8.962 -1.674 5.966 1.00 0.00 C ATOM 752 CG ARG A 50 -9.670 -0.461 6.547 1.00 0.00 C ATOM 753 CD ARG A 50 -11.149 -0.457 6.195 1.00 0.00 C ATOM 754 NE ARG A 50 -11.873 0.609 6.882 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.193 0.748 6.838 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.931 -0.109 6.145 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.779 1.744 7.490 1.00 0.00 N ATOM 0 H ARG A 50 -6.681 -2.576 4.428 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.304 -1.375 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.646 -2.523 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.121 -1.935 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.553 -0.455 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.203 0.449 6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.265 -0.338 5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.587 -1.420 6.458 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.335 1.284 7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.485 -0.877 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.945 0.000 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.216 2.404 8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.793 1.850 7.455 1.00 0.00 H new ATOM 771 N ILE A 51 -7.946 0.656 3.468 1.00 0.00 N ATOM 772 CA ILE A 51 -7.247 1.922 3.286 1.00 0.00 C ATOM 773 C ILE A 51 -8.016 3.071 3.928 1.00 0.00 C ATOM 774 O ILE A 51 -9.037 3.519 3.406 1.00 0.00 O ATOM 775 CB ILE A 51 -7.029 2.235 1.794 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.357 1.052 1.095 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.194 3.497 1.634 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.458 1.105 -0.414 1.00 0.00 C ATOM 0 H ILE A 51 -8.670 0.470 2.774 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.277 1.820 3.773 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.000 2.404 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.305 1.022 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.810 0.126 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.049 3.705 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.710 4.336 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.225 3.355 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.960 0.235 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.507 1.104 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.979 2.014 -0.779 1.00 0.00 H new ATOM 790 N THR A 52 -7.517 3.547 5.065 1.00 0.00 N ATOM 791 CA THR A 52 -8.156 4.645 5.780 1.00 0.00 C ATOM 792 C THR A 52 -7.560 5.988 5.371 1.00 0.00 C ATOM 793 O THR A 52 -7.518 6.927 6.165 1.00 0.00 O ATOM 794 CB THR A 52 -8.019 4.479 7.305 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.665 4.161 7.643 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.945 3.385 7.815 1.00 0.00 C ATOM 0 H THR A 52 -6.672 3.189 5.510 1.00 0.00 H new ATOM 0 HA THR A 52 -9.213 4.622 5.513 1.00 0.00 H new ATOM 0 HB THR A 52 -8.299 5.420 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.403 3.329 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.831 3.286 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.978 3.644 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.691 2.440 7.335 1.00 0.00 H new ATOM 804 N GLY A 53 -7.101 6.072 4.126 1.00 0.00 N ATOM 805 CA GLY A 53 -6.514 7.304 3.633 1.00 0.00 C ATOM 806 C GLY A 53 -5.000 7.295 3.705 1.00 0.00 C ATOM 807 O GLY A 53 -4.325 7.243 2.677 1.00 0.00 O ATOM 0 H GLY A 53 -7.125 5.309 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.824 7.463 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.897 8.143 4.214 1.00 0.00 H new ATOM 811 N GLU A 54 -4.466 7.345 4.921 1.00 0.00 N ATOM 812 CA GLU A 54 -3.022 7.345 5.121 1.00 0.00 C ATOM 813 C GLU A 54 -2.585 6.127 5.930 1.00 0.00 C ATOM 814 O GLU A 54 -1.421 6.007 6.310 1.00 0.00 O ATOM 815 CB GLU A 54 -2.582 8.627 5.831 1.00 0.00 C ATOM 816 CG GLU A 54 -2.573 8.511 7.346 1.00 0.00 C ATOM 817 CD GLU A 54 -2.643 9.860 8.035 1.00 0.00 C ATOM 818 OE1 GLU A 54 -3.768 10.332 8.303 1.00 0.00 O ATOM 819 OE2 GLU A 54 -1.573 10.444 8.305 1.00 0.00 O ATOM 0 H GLU A 54 -5.011 7.386 5.782 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.546 7.300 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.583 8.897 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.248 9.440 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.418 7.900 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.668 7.993 7.662 1.00 0.00 H new ATOM 826 N GLU A 55 -3.529 5.227 6.190 1.00 0.00 N ATOM 827 CA GLU A 55 -3.241 4.020 6.956 1.00 0.00 C ATOM 828 C GLU A 55 -3.919 2.804 6.329 1.00 0.00 C ATOM 829 O GLU A 55 -5.146 2.738 6.246 1.00 0.00 O ATOM 830 CB GLU A 55 -3.705 4.185 8.405 1.00 0.00 C ATOM 831 CG GLU A 55 -2.656 4.806 9.312 1.00 0.00 C ATOM 832 CD GLU A 55 -3.115 4.902 10.754 1.00 0.00 C ATOM 833 OE1 GLU A 55 -3.786 3.962 11.228 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.802 5.919 11.408 1.00 0.00 O ATOM 0 H GLU A 55 -4.498 5.311 5.882 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.163 3.861 6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.601 4.805 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.985 3.209 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.743 4.213 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.409 5.803 8.946 1.00 0.00 H new ATOM 841 N VAL A 56 -3.112 1.845 5.889 1.00 0.00 N ATOM 842 CA VAL A 56 -3.632 0.632 5.270 1.00 0.00 C ATOM 843 C VAL A 56 -3.576 -0.546 6.237 1.00 0.00 C ATOM 844 O VAL A 56 -2.619 -0.693 6.995 1.00 0.00 O ATOM 845 CB VAL A 56 -2.848 0.271 3.994 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.299 -1.076 3.453 1.00 0.00 C ATOM 847 CG2 VAL A 56 -3.011 1.359 2.944 1.00 0.00 C ATOM 0 H VAL A 56 -2.095 1.884 5.950 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.670 0.833 5.005 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.790 0.197 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.734 -1.314 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.125 -1.846 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.362 -1.035 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.451 1.088 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.066 1.467 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.633 2.303 3.337 1.00 0.00 H new ATOM 857 N GLU A 57 -4.610 -1.381 6.204 1.00 0.00 N ATOM 858 CA GLU A 57 -4.678 -2.546 7.078 1.00 0.00 C ATOM 859 C GLU A 57 -5.216 -3.760 6.327 1.00 0.00 C ATOM 860 O GLU A 57 -6.355 -3.760 5.859 1.00 0.00 O ATOM 861 CB GLU A 57 -5.563 -2.250 8.291 1.00 0.00 C ATOM 862 CG GLU A 57 -5.822 -3.464 9.167 1.00 0.00 C ATOM 863 CD GLU A 57 -6.933 -3.232 10.172 1.00 0.00 C ATOM 864 OE1 GLU A 57 -8.110 -3.187 9.755 1.00 0.00 O ATOM 865 OE2 GLU A 57 -6.627 -3.096 11.375 1.00 0.00 O ATOM 0 H GLU A 57 -5.411 -1.272 5.582 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.668 -2.771 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.092 -1.472 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.517 -1.852 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.080 -4.314 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.907 -3.727 9.697 1.00 0.00 H new ATOM 872 N VAL A 58 -4.388 -4.794 6.213 1.00 0.00 N ATOM 873 CA VAL A 58 -4.779 -6.015 5.519 1.00 0.00 C ATOM 874 C VAL A 58 -4.782 -7.209 6.467 1.00 0.00 C ATOM 875 O VAL A 58 -3.726 -7.679 6.891 1.00 0.00 O ATOM 876 CB VAL A 58 -3.839 -6.314 4.336 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.430 -7.396 3.446 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.567 -5.047 3.540 1.00 0.00 C ATOM 0 H VAL A 58 -3.441 -4.810 6.593 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.788 -5.854 5.139 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.891 -6.679 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.752 -7.594 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.570 -8.308 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.392 -7.062 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.901 -5.276 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.506 -4.651 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.098 -4.305 4.186 1.00 0.00 H new ATOM 888 N GLN A 59 -5.975 -7.695 6.794 1.00 0.00 N ATOM 889 CA GLN A 59 -6.114 -8.835 7.693 1.00 0.00 C ATOM 890 C GLN A 59 -5.731 -10.133 6.988 1.00 0.00 C ATOM 891 O GLN A 59 -6.024 -10.319 5.807 1.00 0.00 O ATOM 892 CB GLN A 59 -7.549 -8.928 8.214 1.00 0.00 C ATOM 893 CG GLN A 59 -7.946 -7.767 9.112 1.00 0.00 C ATOM 894 CD GLN A 59 -9.372 -7.880 9.615 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.666 -8.673 10.509 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.267 -7.084 9.040 1.00 0.00 N ATOM 0 H GLN A 59 -6.858 -7.318 6.450 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.438 -8.687 8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.233 -8.971 7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.667 -9.860 8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.267 -7.722 9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.831 -6.832 8.563 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.979 -6.442 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.242 -7.115 9.336 1.00 0.00 H new ATOM 905 N ASP A 60 -5.075 -11.026 7.721 1.00 0.00 N ATOM 906 CA ASP A 60 -4.653 -12.307 7.167 1.00 0.00 C ATOM 907 C ASP A 60 -3.781 -12.104 5.931 1.00 0.00 C ATOM 908 O ASP A 60 -3.934 -12.802 4.929 1.00 0.00 O ATOM 909 CB ASP A 60 -5.872 -13.160 6.811 1.00 0.00 C ATOM 910 CG ASP A 60 -5.584 -14.646 6.898 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.597 -15.096 6.280 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.346 -15.359 7.585 1.00 0.00 O ATOM 0 H ASP A 60 -4.824 -10.886 8.700 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.065 -12.826 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.694 -12.912 7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.201 -12.915 5.801 1.00 0.00 H new ATOM 917 N SER A 61 -2.867 -11.143 6.010 1.00 0.00 N ATOM 918 CA SER A 61 -1.973 -10.844 4.897 1.00 0.00 C ATOM 919 C SER A 61 -1.472 -12.128 4.243 1.00 0.00 C ATOM 920 O SER A 61 -1.588 -13.214 4.812 1.00 0.00 O ATOM 921 CB SER A 61 -0.787 -10.007 5.378 1.00 0.00 C ATOM 922 OG SER A 61 0.143 -10.803 6.092 1.00 0.00 O ATOM 0 H SER A 61 -2.726 -10.558 6.833 1.00 0.00 H new ATOM 0 HA SER A 61 -2.534 -10.274 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.294 -9.545 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.144 -9.198 6.016 1.00 0.00 H new ATOM 0 HG SER A 61 0.807 -10.224 6.522 1.00 0.00 H new ATOM 928 N VAL A 62 -0.915 -11.995 3.044 1.00 0.00 N ATOM 929 CA VAL A 62 -0.394 -13.144 2.311 1.00 0.00 C ATOM 930 C VAL A 62 0.858 -12.772 1.526 1.00 0.00 C ATOM 931 O VAL A 62 1.132 -11.601 1.262 1.00 0.00 O ATOM 932 CB VAL A 62 -1.446 -13.714 1.341 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.277 -14.788 2.025 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.334 -12.601 0.805 1.00 0.00 C ATOM 0 H VAL A 62 -0.813 -11.104 2.559 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.143 -13.905 3.050 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.928 -14.172 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.015 -15.179 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.625 -15.597 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.787 -14.359 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.072 -13.021 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.845 -12.112 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.722 -11.871 0.275 1.00 0.00 H new ATOM 944 N PRO A 63 1.639 -13.793 1.140 1.00 0.00 N ATOM 945 CA PRO A 63 2.876 -13.599 0.378 1.00 0.00 C ATOM 946 C PRO A 63 2.610 -13.135 -1.050 1.00 0.00 C ATOM 947 O PRO A 63 3.536 -12.984 -1.847 1.00 0.00 O ATOM 948 CB PRO A 63 3.515 -14.990 0.378 1.00 0.00 C ATOM 949 CG PRO A 63 2.373 -15.931 0.553 1.00 0.00 C ATOM 950 CD PRO A 63 1.375 -15.214 1.419 1.00 0.00 C ATOM 0 HA PRO A 63 3.507 -12.825 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.047 -15.182 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.240 -15.093 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.935 -16.197 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.700 -16.859 1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.351 -15.490 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.516 -15.449 2.474 1.00 0.00 H new ATOM 958 N ALA A 64 1.339 -12.912 -1.368 1.00 0.00 N ATOM 959 CA ALA A 64 0.951 -12.463 -2.699 1.00 0.00 C ATOM 960 C ALA A 64 0.580 -10.984 -2.694 1.00 0.00 C ATOM 961 O ALA A 64 0.601 -10.325 -3.734 1.00 0.00 O ATOM 962 CB ALA A 64 -0.208 -13.298 -3.221 1.00 0.00 C ATOM 0 H ALA A 64 0.560 -13.035 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 64 1.806 -12.593 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.487 -12.951 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.092 -14.345 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.061 -13.197 -2.549 1.00 0.00 H new ATOM 968 N ASP A 65 0.241 -10.469 -1.518 1.00 0.00 N ATOM 969 CA ASP A 65 -0.135 -9.066 -1.377 1.00 0.00 C ATOM 970 C ASP A 65 1.100 -8.189 -1.196 1.00 0.00 C ATOM 971 O ASP A 65 1.057 -6.983 -1.441 1.00 0.00 O ATOM 972 CB ASP A 65 -1.082 -8.887 -0.190 1.00 0.00 C ATOM 973 CG ASP A 65 -2.402 -9.606 -0.388 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.463 -10.507 -1.250 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.375 -9.266 0.318 1.00 0.00 O ATOM 0 H ASP A 65 0.219 -11.001 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.647 -8.758 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.601 -9.260 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.270 -7.824 -0.036 1.00 0.00 H new ATOM 980 N SER A 66 2.197 -8.802 -0.766 1.00 0.00 N ATOM 981 CA SER A 66 3.443 -8.075 -0.548 1.00 0.00 C ATOM 982 C SER A 66 3.769 -7.184 -1.742 1.00 0.00 C ATOM 983 O SER A 66 3.077 -7.213 -2.759 1.00 0.00 O ATOM 984 CB SER A 66 4.592 -9.054 -0.299 1.00 0.00 C ATOM 985 OG SER A 66 4.193 -10.097 0.574 1.00 0.00 O ATOM 0 H SER A 66 2.249 -9.800 -0.561 1.00 0.00 H new ATOM 0 HA SER A 66 3.317 -7.443 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.926 -9.476 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.441 -8.522 0.129 1.00 0.00 H new ATOM 0 HG SER A 66 4.571 -10.946 0.264 1.00 0.00 H new ATOM 991 N GLY A 67 4.829 -6.393 -1.611 1.00 0.00 N ATOM 992 CA GLY A 67 5.229 -5.504 -2.686 1.00 0.00 C ATOM 993 C GLY A 67 5.764 -4.181 -2.176 1.00 0.00 C ATOM 994 O GLY A 67 6.107 -4.053 -0.999 1.00 0.00 O ATOM 0 H GLY A 67 5.418 -6.352 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.993 -5.992 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.375 -5.320 -3.338 1.00 0.00 H new ATOM 998 N LEU A 68 5.838 -3.193 -3.061 1.00 0.00 N ATOM 999 CA LEU A 68 6.337 -1.872 -2.694 1.00 0.00 C ATOM 1000 C LEU A 68 5.211 -0.844 -2.699 1.00 0.00 C ATOM 1001 O LEU A 68 4.878 -0.278 -3.741 1.00 0.00 O ATOM 1002 CB LEU A 68 7.444 -1.438 -3.657 1.00 0.00 C ATOM 1003 CG LEU A 68 8.033 -0.047 -3.419 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.903 -0.043 -2.172 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.832 0.408 -4.631 1.00 0.00 C ATOM 0 H LEU A 68 5.559 -3.282 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 68 6.745 -1.932 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.252 -2.167 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.050 -1.475 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 68 7.212 0.654 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.314 0.955 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.302 -0.325 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.718 -0.756 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.244 1.400 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.645 -0.294 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.180 0.445 -5.504 1.00 0.00 H new ATOM 1017 N TYR A 69 4.629 -0.605 -1.529 1.00 0.00 N ATOM 1018 CA TYR A 69 3.540 0.356 -1.398 1.00 0.00 C ATOM 1019 C TYR A 69 4.065 1.787 -1.464 1.00 0.00 C ATOM 1020 O TYR A 69 5.093 2.111 -0.870 1.00 0.00 O ATOM 1021 CB TYR A 69 2.792 0.135 -0.082 1.00 0.00 C ATOM 1022 CG TYR A 69 2.067 -1.190 -0.013 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.767 -2.380 0.141 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.682 -1.251 -0.101 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.108 -3.593 0.204 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.014 -2.459 -0.037 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.732 -3.627 0.115 1.00 0.00 C ATOM 1028 OH TYR A 69 0.072 -4.833 0.179 1.00 0.00 O ATOM 0 H TYR A 69 4.893 -1.064 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 69 2.852 0.202 -2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.501 0.195 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.072 0.941 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.844 -2.357 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.117 -0.338 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.667 -4.509 0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.063 -2.488 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 69 0.578 -5.510 -0.317 1.00 0.00 H new ATOM 1038 N ALA A 70 3.350 2.640 -2.190 1.00 0.00 N ATOM 1039 CA ALA A 70 3.741 4.037 -2.332 1.00 0.00 C ATOM 1040 C ALA A 70 2.537 4.961 -2.185 1.00 0.00 C ATOM 1041 O ALA A 70 1.600 4.909 -2.981 1.00 0.00 O ATOM 1042 CB ALA A 70 4.419 4.261 -3.676 1.00 0.00 C ATOM 0 H ALA A 70 2.497 2.388 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 70 4.448 4.274 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.706 5.309 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.308 3.634 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.729 4.001 -4.479 1.00 0.00 H new ATOM 1048 N CYS A 71 2.569 5.806 -1.160 1.00 0.00 N ATOM 1049 CA CYS A 71 1.480 6.742 -0.906 1.00 0.00 C ATOM 1050 C CYS A 71 1.820 8.130 -1.442 1.00 0.00 C ATOM 1051 O CYS A 71 2.857 8.701 -1.104 1.00 0.00 O ATOM 1052 CB CYS A 71 1.186 6.820 0.593 1.00 0.00 C ATOM 1053 SG CYS A 71 2.277 7.957 1.507 1.00 0.00 S ATOM 0 H CYS A 71 3.337 5.862 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 71 0.593 6.378 -1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.152 7.134 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.277 5.822 1.023 1.00 0.00 H new ATOM 1058 N VAL A 72 0.938 8.667 -2.279 1.00 0.00 N ATOM 1059 CA VAL A 72 1.142 9.988 -2.861 1.00 0.00 C ATOM 1060 C VAL A 72 0.094 10.977 -2.362 1.00 0.00 C ATOM 1061 O VAL A 72 -1.104 10.790 -2.577 1.00 0.00 O ATOM 1062 CB VAL A 72 1.094 9.938 -4.399 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.578 11.252 -4.992 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.920 8.772 -4.920 1.00 0.00 C ATOM 0 H VAL A 72 0.075 8.207 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 72 2.131 10.322 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 72 0.060 9.787 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.537 11.197 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.940 12.065 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.605 11.437 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.875 8.752 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.956 8.889 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.522 7.838 -4.523 1.00 0.00 H new ATOM 1074 N THR A 73 0.553 12.031 -1.694 1.00 0.00 N ATOM 1075 CA THR A 73 -0.344 13.050 -1.164 1.00 0.00 C ATOM 1076 C THR A 73 -0.291 14.321 -2.004 1.00 0.00 C ATOM 1077 O THR A 73 0.788 14.815 -2.331 1.00 0.00 O ATOM 1078 CB THR A 73 0.001 13.398 0.296 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.243 14.108 0.350 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.094 12.139 1.145 1.00 0.00 C ATOM 0 H THR A 73 1.541 12.201 -1.507 1.00 0.00 H new ATOM 0 HA THR A 73 -1.351 12.635 -1.202 1.00 0.00 H new ATOM 0 HB THR A 73 -0.795 14.028 0.694 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.491 14.403 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.339 12.410 2.172 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.862 11.616 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.872 11.488 0.746 1.00 0.00 H new ATOM 1088 N SER A 74 -1.462 14.846 -2.349 1.00 0.00 N ATOM 1089 CA SER A 74 -1.548 16.059 -3.154 1.00 0.00 C ATOM 1090 C SER A 74 -1.714 17.289 -2.267 1.00 0.00 C ATOM 1091 O SER A 74 -2.680 17.397 -1.511 1.00 0.00 O ATOM 1092 CB SER A 74 -2.716 15.963 -4.137 1.00 0.00 C ATOM 1093 OG SER A 74 -2.494 14.944 -5.096 1.00 0.00 O ATOM 0 H SER A 74 -2.364 14.451 -2.084 1.00 0.00 H new ATOM 0 HA SER A 74 -0.619 16.160 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.638 15.759 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.849 16.919 -4.643 1.00 0.00 H new ATOM 0 HG SER A 74 -3.256 14.902 -5.711 1.00 0.00 H new ATOM 1153 N ASP A 80 3.851 14.764 -2.130 1.00 0.00 N ATOM 1154 CA ASP A 80 4.935 13.931 -1.624 1.00 0.00 C ATOM 1155 C ASP A 80 4.682 12.460 -1.937 1.00 0.00 C ATOM 1156 O ASP A 80 3.616 12.094 -2.436 1.00 0.00 O ATOM 1157 CB ASP A 80 5.093 14.124 -0.115 1.00 0.00 C ATOM 1158 CG ASP A 80 6.530 13.960 0.342 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.443 14.262 -0.453 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.740 13.528 1.495 1.00 0.00 O ATOM 0 HA ASP A 80 5.856 14.236 -2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.738 15.117 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.464 13.404 0.408 1.00 0.00 H new ATOM 1165 N THR A 81 5.668 11.618 -1.643 1.00 0.00 N ATOM 1166 CA THR A 81 5.553 10.188 -1.895 1.00 0.00 C ATOM 1167 C THR A 81 6.304 9.382 -0.841 1.00 0.00 C ATOM 1168 O THR A 81 7.471 9.648 -0.555 1.00 0.00 O ATOM 1169 CB THR A 81 6.094 9.818 -3.289 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.520 10.676 -4.281 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.781 8.367 -3.624 1.00 0.00 C ATOM 0 H THR A 81 6.556 11.903 -1.230 1.00 0.00 H new ATOM 0 HA THR A 81 4.492 9.943 -1.848 1.00 0.00 H new ATOM 0 HB THR A 81 7.176 9.947 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.870 10.435 -5.164 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.173 8.129 -4.613 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.244 7.715 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.701 8.216 -3.616 1.00 0.00 H new ATOM 1179 N THR A 82 5.626 8.393 -0.266 1.00 0.00 N ATOM 1180 CA THR A 82 6.229 7.548 0.757 1.00 0.00 C ATOM 1181 C THR A 82 6.180 6.078 0.355 1.00 0.00 C ATOM 1182 O THR A 82 5.105 5.523 0.125 1.00 0.00 O ATOM 1183 CB THR A 82 5.523 7.720 2.115 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.110 9.081 2.283 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.444 7.320 3.258 1.00 0.00 C ATOM 0 H THR A 82 4.659 8.158 -0.492 1.00 0.00 H new ATOM 0 HA THR A 82 7.269 7.861 0.853 1.00 0.00 H new ATOM 0 HB THR A 82 4.648 7.070 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.150 9.156 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.924 7.450 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.734 6.276 3.143 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.335 7.948 3.244 1.00 0.00 H new ATOM 1193 N TYR A 83 7.349 5.453 0.273 1.00 0.00 N ATOM 1194 CA TYR A 83 7.439 4.047 -0.104 1.00 0.00 C ATOM 1195 C TYR A 83 7.446 3.152 1.132 1.00 0.00 C ATOM 1196 O TYR A 83 7.824 3.581 2.222 1.00 0.00 O ATOM 1197 CB TYR A 83 8.700 3.799 -0.933 1.00 0.00 C ATOM 1198 CG TYR A 83 8.681 4.483 -2.282 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.042 5.818 -2.411 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.305 3.792 -3.427 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.025 6.447 -3.641 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.287 4.412 -4.662 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.648 5.740 -4.763 1.00 0.00 C ATOM 1204 OH TYR A 83 8.631 6.362 -5.991 1.00 0.00 O ATOM 0 H TYR A 83 8.247 5.897 0.462 1.00 0.00 H new ATOM 0 HA TYR A 83 6.563 3.801 -0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.568 4.145 -0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.823 2.726 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.341 6.374 -1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.022 2.753 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.305 7.487 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.992 3.861 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 83 8.343 5.724 -6.677 1.00 0.00 H new ATOM 1214 N PHE A 84 7.024 1.905 0.953 1.00 0.00 N ATOM 1215 CA PHE A 84 6.980 0.947 2.052 1.00 0.00 C ATOM 1216 C PHE A 84 7.233 -0.471 1.548 1.00 0.00 C ATOM 1217 O PHE A 84 6.394 -1.057 0.865 1.00 0.00 O ATOM 1218 CB PHE A 84 5.626 1.015 2.761 1.00 0.00 C ATOM 1219 CG PHE A 84 5.167 2.416 3.046 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.485 3.145 2.085 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.418 3.006 4.274 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.063 4.435 2.344 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.998 4.295 4.539 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.318 5.011 3.573 1.00 0.00 C ATOM 0 H PHE A 84 6.707 1.534 0.057 1.00 0.00 H new ATOM 0 HA PHE A 84 7.767 1.207 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.878 0.514 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.688 0.464 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.281 2.700 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.949 2.451 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.534 4.993 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.201 4.743 5.501 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.987 6.018 3.778 1.00 0.00 H new ATOM 1234 N SER A 85 8.396 -1.015 1.891 1.00 0.00 N ATOM 1235 CA SER A 85 8.762 -2.363 1.470 1.00 0.00 C ATOM 1236 C SER A 85 8.128 -3.408 2.383 1.00 0.00 C ATOM 1237 O SER A 85 8.539 -3.578 3.531 1.00 0.00 O ATOM 1238 CB SER A 85 10.284 -2.524 1.471 1.00 0.00 C ATOM 1239 OG SER A 85 10.652 -3.885 1.616 1.00 0.00 O ATOM 0 H SER A 85 9.101 -0.544 2.459 1.00 0.00 H new ATOM 0 HA SER A 85 8.388 -2.516 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.695 -2.130 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.714 -1.939 2.284 1.00 0.00 H new ATOM 0 HG SER A 85 11.629 -3.962 1.612 1.00 0.00 H new ATOM 1245 N VAL A 86 7.123 -4.106 1.864 1.00 0.00 N ATOM 1246 CA VAL A 86 6.432 -5.136 2.630 1.00 0.00 C ATOM 1247 C VAL A 86 6.841 -6.531 2.171 1.00 0.00 C ATOM 1248 O VAL A 86 7.152 -6.743 1.000 1.00 0.00 O ATOM 1249 CB VAL A 86 4.903 -4.995 2.508 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.205 -6.211 3.100 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.430 -3.717 3.184 1.00 0.00 C ATOM 0 H VAL A 86 6.769 -3.977 0.916 1.00 0.00 H new ATOM 0 HA VAL A 86 6.720 -5.001 3.673 1.00 0.00 H new ATOM 0 HB VAL A 86 4.645 -4.937 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.126 -6.093 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.521 -7.107 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.468 -6.304 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.347 -3.634 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.700 -3.743 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.903 -2.858 2.709 1.00 0.00 H new ATOM 1261 N ASN A 87 6.838 -7.479 3.102 1.00 0.00 N ATOM 1262 CA ASN A 87 7.209 -8.855 2.793 1.00 0.00 C ATOM 1263 C ASN A 87 6.447 -9.837 3.678 1.00 0.00 C ATOM 1264 O ASN A 87 6.710 -9.943 4.876 1.00 0.00 O ATOM 1265 CB ASN A 87 8.716 -9.052 2.975 1.00 0.00 C ATOM 1266 CG ASN A 87 9.284 -10.080 2.016 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.850 -9.732 0.979 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.136 -11.355 2.358 1.00 0.00 N ATOM 0 H ASN A 87 6.583 -7.320 4.077 1.00 0.00 H new ATOM 0 HA ASN A 87 6.946 -9.051 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.225 -8.100 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.918 -9.364 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.498 -12.091 1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.660 -11.598 3.227 1.00 0.00 H new ATOM 1275 N VAL A 88 5.500 -10.553 3.079 1.00 0.00 N ATOM 1276 CA VAL A 88 4.700 -11.527 3.811 1.00 0.00 C ATOM 1277 C VAL A 88 5.183 -12.948 3.543 1.00 0.00 C ATOM 1278 O VAL A 88 5.163 -13.417 2.405 1.00 0.00 O ATOM 1279 CB VAL A 88 3.209 -11.424 3.436 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.382 -12.393 4.267 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.713 -9.997 3.614 1.00 0.00 C ATOM 0 H VAL A 88 5.269 -10.476 2.089 1.00 0.00 H new ATOM 0 HA VAL A 88 4.817 -11.300 4.871 1.00 0.00 H new ATOM 0 HB VAL A 88 3.096 -11.695 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.332 -12.306 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.723 -13.412 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.498 -12.156 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.658 -9.942 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.838 -9.695 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.287 -9.330 2.971 1.00 0.00 H new ATOM 1291 N SER A 89 5.617 -13.628 4.599 1.00 0.00 N ATOM 1292 CA SER A 89 6.109 -14.996 4.478 1.00 0.00 C ATOM 1293 C SER A 89 5.994 -15.734 5.808 1.00 0.00 C ATOM 1294 O SER A 89 6.244 -15.165 6.871 1.00 0.00 O ATOM 1295 CB SER A 89 7.564 -14.997 4.006 1.00 0.00 C ATOM 1296 OG SER A 89 8.005 -16.312 3.714 1.00 0.00 O ATOM 0 H SER A 89 5.638 -13.255 5.548 1.00 0.00 H new ATOM 0 HA SER A 89 5.495 -15.513 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.662 -14.372 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.200 -14.560 4.776 1.00 0.00 H new ATOM 0 HG SER A 89 8.937 -16.285 3.413 1.00 0.00 H new ATOM 1302 N ASP A 90 5.613 -17.005 5.740 1.00 0.00 N ATOM 1303 CA ASP A 90 5.465 -17.824 6.938 1.00 0.00 C ATOM 1304 C ASP A 90 6.826 -18.268 7.465 1.00 0.00 C ATOM 1305 O ASP A 90 7.002 -18.470 8.666 1.00 0.00 O ATOM 1306 CB ASP A 90 4.596 -19.047 6.641 1.00 0.00 C ATOM 1307 CG ASP A 90 5.175 -19.916 5.542 1.00 0.00 C ATOM 1308 OD1 ASP A 90 5.216 -19.455 4.381 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.587 -21.056 5.841 1.00 0.00 O ATOM 0 H ASP A 90 5.401 -17.491 4.868 1.00 0.00 H new ATOM 0 HA ASP A 90 4.979 -17.219 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.486 -19.640 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.598 -18.718 6.352 1.00 0.00 H new