USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 86:sc= 0.996 USER MOD Set 2.1: A 68 ASN : amide:sc= -0.357 K(o=-0.74,f=-2.9) USER MOD Set 2.2: A 78 MET CE :methyl 166:sc= -0.388 (180deg=-1.02) USER MOD Set 3.1: A 43 CYS SG : rot 88:sc= 0.372 USER MOD Set 3.2: A 87 GLN : amide:sc= -0.674 X(o=-0.3,f=0.024) USER MOD Single : A 9 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -165:sc= -2.39! USER MOD Single : A 18 GLN : amide:sc= -0.565 K(o=-0.56,f=-3.8!) USER MOD Single : A 21 GLN :FLIP amide:sc= -2! C(o=-4.2!,f=-2!) USER MOD Single : A 22 SER OG : rot -147:sc= 0.821 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -31.6! C(o=-32!,f=-32!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 64 ASN : amide:sc= -2.33! C(o=-2.3!,f=-12!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -83:sc= 0.422 USER MOD Single : A 85 SER OG : rot -136:sc= -0.164 USER MOD Single : A 93 SER OG : rot 180:sc= -0.697 USER MOD Single : A 94 MET CE :methyl 153:sc= -0.642 (180deg=-3.49!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.149 14.024 -4.992 1.00 0.00 N ATOM 2 CA PRO A 1 4.626 14.049 -3.579 1.00 0.00 C ATOM 3 C PRO A 1 5.913 13.297 -3.365 1.00 0.00 C ATOM 4 O PRO A 1 6.632 12.945 -4.299 1.00 0.00 O ATOM 5 CB PRO A 1 3.554 13.375 -2.752 1.00 0.00 C ATOM 6 CG PRO A 1 2.358 13.577 -3.566 1.00 0.00 C ATOM 7 CD PRO A 1 2.849 13.317 -4.963 1.00 0.00 C ATOM 0 H2 PRO A 1 4.815 13.541 -5.595 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.044 14.969 -5.360 1.00 0.00 H new ATOM 0 HA PRO A 1 4.814 15.086 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.766 12.317 -2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.456 13.829 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.559 12.891 -3.285 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.963 14.587 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.964 12.251 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.160 13.706 -5.713 1.00 0.00 H new ATOM 17 N ARG A 2 6.148 13.031 -2.095 1.00 0.00 N ATOM 18 CA ARG A 2 7.307 12.278 -1.644 1.00 0.00 C ATOM 19 C ARG A 2 6.804 10.984 -1.035 1.00 0.00 C ATOM 20 O ARG A 2 5.630 10.907 -0.674 1.00 0.00 O ATOM 21 CB ARG A 2 8.077 13.084 -0.604 1.00 0.00 C ATOM 22 CG ARG A 2 9.099 12.273 0.162 1.00 0.00 C ATOM 23 CD ARG A 2 8.528 11.702 1.449 1.00 0.00 C ATOM 24 NE ARG A 2 9.577 11.364 2.405 1.00 0.00 N ATOM 25 CZ ARG A 2 9.362 11.198 3.705 1.00 0.00 C ATOM 26 NH1 ARG A 2 8.141 11.338 4.201 1.00 0.00 N ATOM 27 NH2 ARG A 2 10.369 10.893 4.511 1.00 0.00 N ATOM 0 H ARG A 2 5.535 13.334 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 2 7.979 12.070 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.582 13.912 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.369 13.519 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.460 11.459 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.959 12.901 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.848 12.426 1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.942 10.811 1.223 1.00 0.00 H new ATOM 0 HE ARG A 2 10.528 11.249 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.364 11.574 3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.978 11.210 5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.310 10.786 4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.203 10.766 5.509 1.00 0.00 H new ATOM 41 N VAL A 3 7.625 9.947 -0.926 1.00 0.00 N ATOM 42 CA VAL A 3 7.105 8.734 -0.367 1.00 0.00 C ATOM 43 C VAL A 3 8.177 7.869 0.263 1.00 0.00 C ATOM 44 O VAL A 3 9.372 8.097 0.101 1.00 0.00 O ATOM 45 CB VAL A 3 6.315 7.984 -1.451 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.440 6.498 -1.373 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.874 8.329 -1.344 1.00 0.00 C ATOM 0 H VAL A 3 8.606 9.929 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 3 6.434 8.991 0.453 1.00 0.00 H new ATOM 0 HB VAL A 3 6.742 8.299 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.854 6.041 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.487 6.215 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.070 6.152 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.314 7.797 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.503 8.041 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.746 9.403 -1.480 1.00 0.00 H new ATOM 57 N VAL A 4 7.730 6.867 0.991 1.00 0.00 N ATOM 58 CA VAL A 4 8.655 5.961 1.640 1.00 0.00 C ATOM 59 C VAL A 4 8.047 4.597 1.858 1.00 0.00 C ATOM 60 O VAL A 4 7.192 4.401 2.706 1.00 0.00 O ATOM 61 CB VAL A 4 9.204 6.522 2.963 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.813 5.412 3.809 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.242 7.583 2.659 1.00 0.00 C ATOM 0 H VAL A 4 6.743 6.660 1.147 1.00 0.00 H new ATOM 0 HA VAL A 4 9.497 5.855 0.956 1.00 0.00 H new ATOM 0 HB VAL A 4 8.385 6.964 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.195 5.832 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.051 4.666 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.630 4.943 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.635 7.985 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.055 7.142 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.783 8.386 2.083 1.00 0.00 H new ATOM 73 N PHE A 5 8.537 3.663 1.080 1.00 0.00 N ATOM 74 CA PHE A 5 8.095 2.283 1.135 1.00 0.00 C ATOM 75 C PHE A 5 8.958 1.487 2.104 1.00 0.00 C ATOM 76 O PHE A 5 9.982 1.968 2.586 1.00 0.00 O ATOM 77 CB PHE A 5 8.247 1.653 -0.233 1.00 0.00 C ATOM 78 CG PHE A 5 7.226 2.033 -1.263 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.625 3.293 -1.308 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.898 1.110 -2.232 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.723 3.598 -2.310 1.00 0.00 C ATOM 82 CE2 PHE A 5 6.007 1.406 -3.227 1.00 0.00 C ATOM 83 CZ PHE A 5 5.416 2.652 -3.275 1.00 0.00 C ATOM 0 H PHE A 5 9.261 3.837 0.383 1.00 0.00 H new ATOM 0 HA PHE A 5 7.055 2.270 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.233 1.911 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.224 0.570 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.866 4.031 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.354 0.131 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.258 4.572 -2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.766 0.665 -3.975 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.716 2.889 -4.063 1.00 0.00 H new ATOM 93 N ILE A 6 8.542 0.259 2.360 1.00 0.00 N ATOM 94 CA ILE A 6 9.248 -0.635 3.237 1.00 0.00 C ATOM 95 C ILE A 6 9.025 -2.078 2.809 1.00 0.00 C ATOM 96 O ILE A 6 8.095 -2.370 2.056 1.00 0.00 O ATOM 97 CB ILE A 6 8.771 -0.468 4.672 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.475 1.001 4.954 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.823 -1.001 5.603 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.713 1.843 5.129 1.00 0.00 C ATOM 0 H ILE A 6 7.695 -0.142 1.957 1.00 0.00 H new ATOM 0 HA ILE A 6 10.309 -0.393 3.179 1.00 0.00 H new ATOM 0 HB ILE A 6 7.850 -1.029 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.882 1.407 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.866 1.074 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.489 -0.885 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.993 -2.057 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.751 -0.448 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.426 2.876 5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.297 1.462 5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.313 1.801 4.220 1.00 0.00 H new ATOM 112 N ASP A 7 9.868 -2.983 3.286 1.00 0.00 N ATOM 113 CA ASP A 7 9.729 -4.387 2.937 1.00 0.00 C ATOM 114 C ASP A 7 10.657 -5.258 3.772 1.00 0.00 C ATOM 115 O ASP A 7 11.492 -4.763 4.524 1.00 0.00 O ATOM 116 CB ASP A 7 9.963 -4.579 1.436 1.00 0.00 C ATOM 117 CG ASP A 7 10.494 -5.947 1.069 1.00 0.00 C ATOM 118 OD1 ASP A 7 9.687 -6.897 0.987 1.00 0.00 O ATOM 119 OD2 ASP A 7 11.717 -6.068 0.860 1.00 0.00 O ATOM 0 H ASP A 7 10.647 -2.772 3.909 1.00 0.00 H new ATOM 0 HA ASP A 7 8.712 -4.705 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.025 -4.410 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.666 -3.822 1.088 1.00 0.00 H new ATOM 124 N GLU A 8 10.470 -6.556 3.652 1.00 0.00 N ATOM 125 CA GLU A 8 11.246 -7.530 4.412 1.00 0.00 C ATOM 126 C GLU A 8 12.501 -7.990 3.670 1.00 0.00 C ATOM 127 O GLU A 8 13.140 -8.964 4.067 1.00 0.00 O ATOM 128 CB GLU A 8 10.368 -8.733 4.745 1.00 0.00 C ATOM 129 CG GLU A 8 10.434 -9.149 6.205 1.00 0.00 C ATOM 130 CD GLU A 8 11.363 -10.324 6.437 1.00 0.00 C ATOM 131 OE1 GLU A 8 12.591 -10.105 6.513 1.00 0.00 O ATOM 132 OE2 GLU A 8 10.864 -11.464 6.545 1.00 0.00 O ATOM 0 H GLU A 8 9.778 -6.971 3.028 1.00 0.00 H new ATOM 0 HA GLU A 8 11.579 -7.040 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.335 -8.500 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.669 -9.575 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.769 -8.303 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.433 -9.409 6.550 1.00 0.00 H new ATOM 139 N GLN A 9 12.862 -7.282 2.608 1.00 0.00 N ATOM 140 CA GLN A 9 14.054 -7.618 1.838 1.00 0.00 C ATOM 141 C GLN A 9 15.095 -6.522 2.003 1.00 0.00 C ATOM 142 O GLN A 9 16.297 -6.785 2.040 1.00 0.00 O ATOM 143 CB GLN A 9 13.717 -7.808 0.356 1.00 0.00 C ATOM 144 CG GLN A 9 12.624 -8.834 0.106 1.00 0.00 C ATOM 145 CD GLN A 9 13.173 -10.237 -0.064 1.00 0.00 C ATOM 146 OE1 GLN A 9 14.387 -10.442 -0.090 1.00 0.00 O ATOM 147 NE2 GLN A 9 12.281 -11.214 -0.182 1.00 0.00 N ATOM 0 H GLN A 9 12.348 -6.473 2.260 1.00 0.00 H new ATOM 0 HA GLN A 9 14.455 -8.559 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.407 -6.851 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.618 -8.113 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.921 -8.821 0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.066 -8.555 -0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.284 -11.000 -0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.593 -12.178 -0.299 1.00 0.00 H new ATOM 156 N SER A 10 14.614 -5.290 2.117 1.00 0.00 N ATOM 157 CA SER A 10 15.488 -4.138 2.296 1.00 0.00 C ATOM 158 C SER A 10 15.112 -3.365 3.558 1.00 0.00 C ATOM 159 O SER A 10 15.884 -2.535 4.040 1.00 0.00 O ATOM 160 CB SER A 10 15.415 -3.217 1.077 1.00 0.00 C ATOM 161 OG SER A 10 16.634 -2.517 0.892 1.00 0.00 O ATOM 0 H SER A 10 13.620 -5.063 2.088 1.00 0.00 H new ATOM 0 HA SER A 10 16.510 -4.501 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.191 -3.804 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.599 -2.505 1.203 1.00 0.00 H new ATOM 0 HG SER A 10 16.562 -1.936 0.106 1.00 0.00 H new ATOM 167 N GLY A 11 13.923 -3.643 4.095 1.00 0.00 N ATOM 168 CA GLY A 11 13.479 -2.964 5.298 1.00 0.00 C ATOM 169 C GLY A 11 13.251 -1.484 5.088 1.00 0.00 C ATOM 170 O GLY A 11 13.191 -0.714 6.046 1.00 0.00 O ATOM 0 H GLY A 11 13.264 -4.324 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.554 -3.423 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.222 -3.104 6.083 1.00 0.00 H new ATOM 174 N GLU A 12 13.110 -1.090 3.833 1.00 0.00 N ATOM 175 CA GLU A 12 12.871 0.306 3.493 1.00 0.00 C ATOM 176 C GLU A 12 13.016 0.544 2.002 1.00 0.00 C ATOM 177 O GLU A 12 13.855 -0.061 1.334 1.00 0.00 O ATOM 178 CB GLU A 12 13.817 1.226 4.263 1.00 0.00 C ATOM 179 CG GLU A 12 14.101 2.539 3.546 1.00 0.00 C ATOM 180 CD GLU A 12 15.077 3.421 4.299 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.058 3.398 5.547 1.00 0.00 O ATOM 182 OE2 GLU A 12 15.861 4.136 3.639 1.00 0.00 O ATOM 0 H GLU A 12 13.157 -1.717 3.030 1.00 0.00 H new ATOM 0 HA GLU A 12 11.845 0.539 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.387 1.441 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.758 0.704 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.501 2.327 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.165 3.080 3.404 1.00 0.00 H new ATOM 189 N TYR A 13 12.183 1.435 1.494 1.00 0.00 N ATOM 190 CA TYR A 13 12.189 1.775 0.088 1.00 0.00 C ATOM 191 C TYR A 13 11.725 3.209 -0.133 1.00 0.00 C ATOM 192 O TYR A 13 10.715 3.455 -0.792 1.00 0.00 O ATOM 193 CB TYR A 13 11.295 0.801 -0.649 1.00 0.00 C ATOM 194 CG TYR A 13 11.909 -0.558 -0.760 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.924 -1.418 0.331 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.474 -0.983 -1.948 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.492 -2.677 0.238 1.00 0.00 C ATOM 198 CE2 TYR A 13 13.044 -2.232 -2.057 1.00 0.00 C ATOM 199 CZ TYR A 13 13.052 -3.081 -0.962 1.00 0.00 C ATOM 200 OH TYR A 13 13.620 -4.330 -1.068 1.00 0.00 O ATOM 0 H TYR A 13 11.488 1.939 2.044 1.00 0.00 H new ATOM 0 HA TYR A 13 13.206 1.704 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.339 0.725 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.086 1.186 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.486 -1.100 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.468 -0.325 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.498 -3.337 1.093 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.483 -2.548 -2.992 1.00 0.00 H new ATOM 0 HH TYR A 13 14.170 -4.371 -1.878 1.00 0.00 H new ATOM 210 N ALA A 14 12.476 4.151 0.427 1.00 0.00 N ATOM 211 CA ALA A 14 12.151 5.566 0.298 1.00 0.00 C ATOM 212 C ALA A 14 11.948 5.943 -1.158 1.00 0.00 C ATOM 213 O ALA A 14 12.729 5.556 -2.029 1.00 0.00 O ATOM 214 CB ALA A 14 13.238 6.422 0.930 1.00 0.00 C ATOM 0 H ALA A 14 13.315 3.960 0.975 1.00 0.00 H new ATOM 0 HA ALA A 14 11.216 5.752 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.979 7.475 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.327 6.174 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.188 6.230 0.431 1.00 0.00 H new ATOM 220 N VAL A 15 10.880 6.681 -1.418 1.00 0.00 N ATOM 221 CA VAL A 15 10.555 7.091 -2.770 1.00 0.00 C ATOM 222 C VAL A 15 9.688 8.330 -2.781 1.00 0.00 C ATOM 223 O VAL A 15 9.693 9.130 -1.851 1.00 0.00 O ATOM 224 CB VAL A 15 9.872 5.927 -3.525 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.401 5.752 -3.157 1.00 0.00 C ATOM 226 CG2 VAL A 15 10.030 6.072 -5.030 1.00 0.00 C ATOM 0 H VAL A 15 10.225 7.007 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 15 11.483 7.345 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 15 10.388 5.022 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.981 4.919 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.315 5.547 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.855 6.664 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.538 5.237 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.576 7.008 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.090 6.075 -5.286 1.00 0.00 H new ATOM 236 N ASP A 16 8.969 8.484 -3.853 1.00 0.00 N ATOM 237 CA ASP A 16 8.095 9.597 -4.049 1.00 0.00 C ATOM 238 C ASP A 16 7.045 9.208 -5.036 1.00 0.00 C ATOM 239 O ASP A 16 7.188 8.231 -5.764 1.00 0.00 O ATOM 240 CB ASP A 16 8.833 10.776 -4.617 1.00 0.00 C ATOM 241 CG ASP A 16 10.228 10.937 -4.046 1.00 0.00 C ATOM 242 OD1 ASP A 16 11.149 10.239 -4.522 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.400 11.762 -3.125 1.00 0.00 O ATOM 0 H ASP A 16 8.976 7.824 -4.631 1.00 0.00 H new ATOM 0 HA ASP A 16 7.668 9.870 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.900 10.667 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.261 11.683 -4.423 1.00 0.00 H new ATOM 248 N ALA A 17 5.996 9.965 -5.059 1.00 0.00 N ATOM 249 CA ALA A 17 4.920 9.684 -5.956 1.00 0.00 C ATOM 250 C ALA A 17 4.306 10.961 -6.504 1.00 0.00 C ATOM 251 O ALA A 17 4.766 12.060 -6.207 1.00 0.00 O ATOM 252 CB ALA A 17 3.921 8.865 -5.196 1.00 0.00 C ATOM 0 H ALA A 17 5.860 10.784 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 17 5.277 9.133 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.078 8.626 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.391 7.942 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.567 9.431 -4.334 1.00 0.00 H new ATOM 258 N GLN A 18 3.268 10.802 -7.305 1.00 0.00 N ATOM 259 CA GLN A 18 2.574 11.936 -7.899 1.00 0.00 C ATOM 260 C GLN A 18 1.073 11.742 -7.784 1.00 0.00 C ATOM 261 O GLN A 18 0.561 10.652 -8.038 1.00 0.00 O ATOM 262 CB GLN A 18 2.972 12.100 -9.363 1.00 0.00 C ATOM 263 CG GLN A 18 4.458 12.333 -9.555 1.00 0.00 C ATOM 264 CD GLN A 18 4.887 13.724 -9.131 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.149 14.432 -8.446 1.00 0.00 O ATOM 266 NE2 GLN A 18 6.088 14.122 -9.534 1.00 0.00 N ATOM 0 H GLN A 18 2.883 9.893 -7.562 1.00 0.00 H new ATOM 0 HA GLN A 18 2.859 12.840 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.676 11.208 -9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.421 12.937 -9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.016 11.593 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.714 12.181 -10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.667 13.502 -10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.432 15.047 -9.277 1.00 0.00 H new ATOM 275 N ASP A 19 0.365 12.789 -7.387 1.00 0.00 N ATOM 276 CA ASP A 19 -1.076 12.688 -7.232 1.00 0.00 C ATOM 277 C ASP A 19 -1.677 11.934 -8.402 1.00 0.00 C ATOM 278 O ASP A 19 -1.666 12.401 -9.541 1.00 0.00 O ATOM 279 CB ASP A 19 -1.717 14.060 -7.057 1.00 0.00 C ATOM 280 CG ASP A 19 -0.883 14.984 -6.192 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.518 14.578 -5.069 1.00 0.00 O ATOM 282 OD2 ASP A 19 -0.596 16.115 -6.637 1.00 0.00 O ATOM 0 H ASP A 19 0.758 13.705 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.284 12.125 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.863 14.517 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.704 13.942 -6.610 1.00 0.00 H new ATOM 287 N GLY A 20 -2.172 10.742 -8.101 1.00 0.00 N ATOM 288 CA GLY A 20 -2.746 9.890 -9.113 1.00 0.00 C ATOM 289 C GLY A 20 -2.028 8.558 -9.184 1.00 0.00 C ATOM 290 O GLY A 20 -2.457 7.653 -9.901 1.00 0.00 O ATOM 0 H GLY A 20 -2.184 10.349 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.802 9.725 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.693 10.386 -10.082 1.00 0.00 H new ATOM 294 N GLN A 21 -0.935 8.426 -8.426 1.00 0.00 N ATOM 295 CA GLN A 21 -0.178 7.186 -8.405 1.00 0.00 C ATOM 296 C GLN A 21 -0.393 6.462 -7.085 1.00 0.00 C ATOM 297 O GLN A 21 -0.583 7.093 -6.045 1.00 0.00 O ATOM 298 CB GLN A 21 1.309 7.458 -8.609 1.00 0.00 C ATOM 299 CG GLN A 21 1.661 7.916 -10.013 1.00 0.00 C ATOM 300 CD GLN A 21 2.977 8.667 -10.073 1.00 0.00 C ATOM 301 OE1 GLN A 21 3.774 8.550 -9.018 1.00 0.00 O flip ATOM 302 NE2 GLN A 21 3.275 9.342 -11.058 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.562 9.161 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.532 6.556 -9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.631 8.218 -7.897 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.869 6.551 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.712 7.049 -10.671 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.865 8.557 -10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.632 9.404 -11.847 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.165 9.839 -11.085 1.00 0.00 H new ATOM 311 N SER A 22 -0.366 5.140 -7.132 1.00 0.00 N ATOM 312 CA SER A 22 -0.564 4.335 -5.936 1.00 0.00 C ATOM 313 C SER A 22 0.777 4.002 -5.280 1.00 0.00 C ATOM 314 O SER A 22 1.836 4.269 -5.848 1.00 0.00 O ATOM 315 CB SER A 22 -1.307 3.047 -6.300 1.00 0.00 C ATOM 316 OG SER A 22 -0.411 1.954 -6.404 1.00 0.00 O ATOM 0 H SER A 22 -0.209 4.601 -7.984 1.00 0.00 H new ATOM 0 HA SER A 22 -1.160 4.906 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.061 2.832 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.833 3.181 -7.245 1.00 0.00 H new ATOM 0 HG SER A 22 -0.731 1.333 -7.091 1.00 0.00 H new ATOM 322 N LEU A 23 0.726 3.411 -4.089 1.00 0.00 N ATOM 323 CA LEU A 23 1.946 3.035 -3.371 1.00 0.00 C ATOM 324 C LEU A 23 2.423 1.657 -3.812 1.00 0.00 C ATOM 325 O LEU A 23 3.365 1.102 -3.246 1.00 0.00 O ATOM 326 CB LEU A 23 1.708 3.053 -1.859 1.00 0.00 C ATOM 327 CG LEU A 23 1.429 4.434 -1.249 1.00 0.00 C ATOM 328 CD1 LEU A 23 1.767 5.547 -2.230 1.00 0.00 C ATOM 329 CD2 LEU A 23 -0.024 4.538 -0.811 1.00 0.00 C ATOM 0 H LEU A 23 -0.140 3.182 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 23 2.720 3.764 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.866 2.399 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.582 2.628 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 23 2.069 4.550 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.559 6.513 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.823 5.491 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.161 5.436 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.205 5.523 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.675 4.393 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.235 3.772 -0.065 1.00 0.00 H new ATOM 341 N MET A 24 1.781 1.124 -4.843 1.00 0.00 N ATOM 342 CA MET A 24 2.147 -0.172 -5.387 1.00 0.00 C ATOM 343 C MET A 24 2.930 0.037 -6.677 1.00 0.00 C ATOM 344 O MET A 24 3.789 -0.766 -7.042 1.00 0.00 O ATOM 345 CB MET A 24 0.891 -1.027 -5.622 1.00 0.00 C ATOM 346 CG MET A 24 0.576 -1.304 -7.085 1.00 0.00 C ATOM 347 SD MET A 24 1.538 -2.676 -7.751 1.00 0.00 S ATOM 348 CE MET A 24 0.440 -3.273 -9.033 1.00 0.00 C ATOM 0 H MET A 24 1.000 1.574 -5.320 1.00 0.00 H new ATOM 0 HA MET A 24 2.777 -0.709 -4.678 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.013 -1.978 -5.104 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.036 -0.525 -5.169 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.486 -1.525 -7.189 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.774 -0.407 -7.672 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.898 -4.124 -9.537 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.506 -3.581 -8.588 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.259 -2.478 -9.756 1.00 0.00 H new ATOM 358 N GLU A 25 2.625 1.142 -7.350 1.00 0.00 N ATOM 359 CA GLU A 25 3.293 1.496 -8.593 1.00 0.00 C ATOM 360 C GLU A 25 4.596 2.209 -8.316 1.00 0.00 C ATOM 361 O GLU A 25 5.588 1.962 -9.001 1.00 0.00 O ATOM 362 CB GLU A 25 2.388 2.360 -9.470 1.00 0.00 C ATOM 363 CG GLU A 25 0.943 1.892 -9.503 1.00 0.00 C ATOM 364 CD GLU A 25 0.638 1.027 -10.709 1.00 0.00 C ATOM 365 OE1 GLU A 25 1.518 0.900 -11.587 1.00 0.00 O ATOM 366 OE2 GLU A 25 -0.481 0.476 -10.777 1.00 0.00 O ATOM 0 H GLU A 25 1.915 1.810 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 25 3.513 0.574 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.420 3.388 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.782 2.368 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.726 1.331 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.284 2.760 -9.507 1.00 0.00 H new ATOM 373 N VAL A 26 4.634 3.071 -7.302 1.00 0.00 N ATOM 374 CA VAL A 26 5.890 3.730 -7.007 1.00 0.00 C ATOM 375 C VAL A 26 6.952 2.661 -6.934 1.00 0.00 C ATOM 376 O VAL A 26 7.959 2.695 -7.628 1.00 0.00 O ATOM 377 CB VAL A 26 5.927 4.517 -5.689 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.749 5.748 -5.908 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.572 4.904 -5.182 1.00 0.00 C ATOM 0 H VAL A 26 3.848 3.317 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 26 6.046 4.463 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 26 6.360 3.868 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.791 6.326 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.759 5.463 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.297 6.352 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.677 5.457 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.073 5.531 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.979 4.006 -5.008 1.00 0.00 H new ATOM 389 N ALA A 27 6.675 1.702 -6.075 1.00 0.00 N ATOM 390 CA ALA A 27 7.552 0.566 -5.850 1.00 0.00 C ATOM 391 C ALA A 27 8.383 0.231 -7.071 1.00 0.00 C ATOM 392 O ALA A 27 9.587 0.483 -7.112 1.00 0.00 O ATOM 393 CB ALA A 27 6.747 -0.669 -5.475 1.00 0.00 C ATOM 0 H ALA A 27 5.828 1.687 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 27 8.218 0.852 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.423 -1.508 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.184 -0.473 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.056 -0.912 -6.282 1.00 0.00 H new ATOM 399 N THR A 28 7.727 -0.362 -8.057 1.00 0.00 N ATOM 400 CA THR A 28 8.404 -0.762 -9.277 1.00 0.00 C ATOM 401 C THR A 28 9.258 0.384 -9.781 1.00 0.00 C ATOM 402 O THR A 28 10.328 0.175 -10.353 1.00 0.00 O ATOM 403 CB THR A 28 7.403 -1.195 -10.353 1.00 0.00 C ATOM 404 OG1 THR A 28 7.218 -0.167 -11.311 1.00 0.00 O ATOM 405 CG2 THR A 28 6.039 -1.569 -9.814 1.00 0.00 C ATOM 0 H THR A 28 6.730 -0.576 -8.035 1.00 0.00 H new ATOM 0 HA THR A 28 9.040 -1.619 -9.055 1.00 0.00 H new ATOM 0 HB THR A 28 7.846 -2.085 -10.800 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.577 -0.464 -11.990 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.390 -1.863 -10.639 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.139 -2.400 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.604 -0.713 -9.298 1.00 0.00 H new ATOM 413 N GLN A 29 8.793 1.601 -9.535 1.00 0.00 N ATOM 414 CA GLN A 29 9.541 2.786 -9.938 1.00 0.00 C ATOM 415 C GLN A 29 10.729 3.003 -9.004 1.00 0.00 C ATOM 416 O GLN A 29 11.780 3.492 -9.417 1.00 0.00 O ATOM 417 CB GLN A 29 8.640 4.024 -9.956 1.00 0.00 C ATOM 418 CG GLN A 29 7.378 3.844 -10.784 1.00 0.00 C ATOM 419 CD GLN A 29 6.853 5.151 -11.344 1.00 0.00 C ATOM 420 OE1 GLN A 29 6.782 5.335 -12.559 1.00 0.00 O ATOM 421 NE2 GLN A 29 6.481 6.068 -10.459 1.00 0.00 N ATOM 0 H GLN A 29 7.910 1.794 -9.063 1.00 0.00 H new ATOM 0 HA GLN A 29 9.914 2.627 -10.950 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.361 4.275 -8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.205 4.869 -10.349 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.583 3.158 -11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.607 3.382 -10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.557 5.874 -9.461 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.119 6.967 -10.777 1.00 0.00 H new ATOM 430 N ASN A 30 10.547 2.634 -7.742 1.00 0.00 N ATOM 431 CA ASN A 30 11.595 2.782 -6.727 1.00 0.00 C ATOM 432 C ASN A 30 12.490 1.546 -6.664 1.00 0.00 C ATOM 433 O ASN A 30 13.343 1.434 -5.784 1.00 0.00 O ATOM 434 CB ASN A 30 10.958 3.009 -5.353 1.00 0.00 C ATOM 435 CG ASN A 30 9.493 3.380 -5.466 1.00 0.00 C ATOM 436 OD1 ASN A 30 9.114 4.107 -6.376 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.672 2.903 -4.541 1.00 0.00 N ATOM 0 H ASN A 30 9.680 2.227 -7.391 1.00 0.00 H new ATOM 0 HA ASN A 30 12.208 3.640 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.059 2.105 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.494 3.801 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.680 3.138 -4.569 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.032 2.300 -3.801 1.00 0.00 H new ATOM 444 N GLY A 31 12.277 0.608 -7.582 1.00 0.00 N ATOM 445 CA GLY A 31 13.063 -0.616 -7.584 1.00 0.00 C ATOM 446 C GLY A 31 12.618 -1.568 -6.488 1.00 0.00 C ATOM 447 O GLY A 31 13.209 -2.629 -6.288 1.00 0.00 O ATOM 0 H GLY A 31 11.578 0.671 -8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.970 -1.107 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.117 -0.373 -7.449 1.00 0.00 H new ATOM 451 N VAL A 32 11.566 -1.169 -5.783 1.00 0.00 N ATOM 452 CA VAL A 32 10.994 -1.945 -4.696 1.00 0.00 C ATOM 453 C VAL A 32 10.626 -3.349 -5.145 1.00 0.00 C ATOM 454 O VAL A 32 10.225 -3.565 -6.288 1.00 0.00 O ATOM 455 CB VAL A 32 9.734 -1.231 -4.185 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.218 -1.774 -2.876 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.998 0.247 -4.044 1.00 0.00 C ATOM 0 H VAL A 32 11.083 -0.287 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 32 11.739 -2.028 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 32 8.960 -1.415 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.327 -1.221 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.968 -2.829 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.985 -1.666 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.098 0.744 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.811 0.405 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.276 0.661 -5.013 1.00 0.00 H new ATOM 467 N PRO A 33 10.758 -4.320 -4.236 1.00 0.00 N ATOM 468 CA PRO A 33 10.444 -5.714 -4.495 1.00 0.00 C ATOM 469 C PRO A 33 9.276 -5.879 -5.458 1.00 0.00 C ATOM 470 O PRO A 33 9.187 -6.872 -6.179 1.00 0.00 O ATOM 471 CB PRO A 33 10.094 -6.261 -3.098 1.00 0.00 C ATOM 472 CG PRO A 33 10.514 -5.205 -2.108 1.00 0.00 C ATOM 473 CD PRO A 33 11.233 -4.136 -2.873 1.00 0.00 C ATOM 0 HA PRO A 33 11.269 -6.240 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.026 -6.466 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.614 -7.200 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.645 -4.792 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.162 -5.632 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.995 -3.142 -2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.315 -4.252 -2.805 1.00 0.00 H new ATOM 481 N GLY A 34 8.385 -4.899 -5.465 1.00 0.00 N ATOM 482 CA GLY A 34 7.234 -4.951 -6.345 1.00 0.00 C ATOM 483 C GLY A 34 6.559 -6.300 -6.294 1.00 0.00 C ATOM 484 O GLY A 34 6.015 -6.777 -7.289 1.00 0.00 O ATOM 0 H GLY A 34 8.438 -4.067 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.522 -4.176 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.546 -4.738 -7.367 1.00 0.00 H new ATOM 488 N ILE A 35 6.609 -6.915 -5.123 1.00 0.00 N ATOM 489 CA ILE A 35 6.010 -8.230 -4.924 1.00 0.00 C ATOM 490 C ILE A 35 4.497 -8.188 -5.117 1.00 0.00 C ATOM 491 O ILE A 35 3.737 -8.167 -4.149 1.00 0.00 O ATOM 492 CB ILE A 35 6.328 -8.787 -3.523 1.00 0.00 C ATOM 493 CG1 ILE A 35 7.835 -8.998 -3.367 1.00 0.00 C ATOM 494 CG2 ILE A 35 5.580 -10.089 -3.283 1.00 0.00 C ATOM 495 CD1 ILE A 35 8.253 -9.373 -1.962 1.00 0.00 C ATOM 0 H ILE A 35 7.058 -6.526 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 35 6.445 -8.889 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 35 5.999 -8.062 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.157 -9.781 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.353 -8.085 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.817 -10.467 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.507 -9.911 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.879 -10.823 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.334 -9.506 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.963 -8.580 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.763 -10.303 -1.673 1.00 0.00 H new ATOM 507 N VAL A 36 4.067 -8.179 -6.376 1.00 0.00 N ATOM 508 CA VAL A 36 2.646 -8.144 -6.702 1.00 0.00 C ATOM 509 C VAL A 36 2.403 -8.631 -8.133 1.00 0.00 C ATOM 510 O VAL A 36 2.203 -9.824 -8.360 1.00 0.00 O ATOM 511 CB VAL A 36 2.058 -6.725 -6.510 1.00 0.00 C ATOM 512 CG1 VAL A 36 3.074 -5.659 -6.889 1.00 0.00 C ATOM 513 CG2 VAL A 36 0.769 -6.550 -7.303 1.00 0.00 C ATOM 0 H VAL A 36 4.684 -8.196 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 36 2.135 -8.817 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 36 1.819 -6.606 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.636 -4.671 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.958 -5.759 -6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.357 -5.781 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.380 -5.544 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.971 -6.702 -8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.033 -7.279 -6.966 1.00 0.00 H new ATOM 523 N ALA A 37 2.421 -7.709 -9.093 1.00 0.00 N ATOM 524 CA ALA A 37 2.202 -8.063 -10.493 1.00 0.00 C ATOM 525 C ALA A 37 1.081 -9.087 -10.625 1.00 0.00 C ATOM 526 O ALA A 37 1.236 -10.110 -11.291 1.00 0.00 O ATOM 527 CB ALA A 37 3.485 -8.600 -11.111 1.00 0.00 C ATOM 0 H ALA A 37 2.584 -6.716 -8.928 1.00 0.00 H new ATOM 0 HA ALA A 37 1.906 -7.162 -11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.305 -8.859 -12.154 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.262 -7.838 -11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.807 -9.488 -10.567 1.00 0.00 H new ATOM 533 N GLU A 38 -0.046 -8.806 -9.979 1.00 0.00 N ATOM 534 CA GLU A 38 -1.195 -9.704 -10.014 1.00 0.00 C ATOM 535 C GLU A 38 -2.184 -9.298 -11.104 1.00 0.00 C ATOM 536 O GLU A 38 -2.209 -9.890 -12.183 1.00 0.00 O ATOM 537 CB GLU A 38 -1.891 -9.717 -8.653 1.00 0.00 C ATOM 538 CG GLU A 38 -1.029 -10.287 -7.539 1.00 0.00 C ATOM 539 CD GLU A 38 -0.949 -9.369 -6.334 1.00 0.00 C ATOM 540 OE1 GLU A 38 -1.703 -8.374 -6.294 1.00 0.00 O ATOM 541 OE2 GLU A 38 -0.130 -9.644 -5.431 1.00 0.00 O ATOM 0 H GLU A 38 -0.188 -7.962 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.833 -10.706 -10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.182 -8.699 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.808 -10.301 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.432 -11.251 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.024 -10.469 -7.920 1.00 0.00 H new ATOM 548 N CYS A 39 -3.002 -8.291 -10.813 1.00 0.00 N ATOM 549 CA CYS A 39 -3.994 -7.815 -11.771 1.00 0.00 C ATOM 550 C CYS A 39 -3.578 -6.476 -12.372 1.00 0.00 C ATOM 551 O CYS A 39 -4.115 -6.049 -13.395 1.00 0.00 O ATOM 552 CB CYS A 39 -5.363 -7.686 -11.097 1.00 0.00 C ATOM 553 SG CYS A 39 -5.517 -6.253 -9.983 1.00 0.00 S ATOM 0 H CYS A 39 -2.998 -7.790 -9.924 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.061 -8.545 -12.578 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.130 -7.616 -11.869 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.563 -8.595 -10.530 1.00 0.00 H new ATOM 558 N GLY A 40 -2.614 -5.819 -11.734 1.00 0.00 N ATOM 559 CA GLY A 40 -2.139 -4.537 -12.223 1.00 0.00 C ATOM 560 C GLY A 40 -3.128 -3.414 -11.977 1.00 0.00 C ATOM 561 O GLY A 40 -3.139 -2.418 -12.700 1.00 0.00 O ATOM 0 H GLY A 40 -2.153 -6.152 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.193 -4.295 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.939 -4.612 -13.292 1.00 0.00 H new ATOM 565 N GLY A 41 -3.959 -3.573 -10.952 1.00 0.00 N ATOM 566 CA GLY A 41 -4.943 -2.555 -10.630 1.00 0.00 C ATOM 567 C GLY A 41 -6.273 -2.785 -11.322 1.00 0.00 C ATOM 568 O GLY A 41 -7.216 -2.017 -11.136 1.00 0.00 O ATOM 0 H GLY A 41 -3.969 -4.388 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.098 -2.534 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.554 -1.577 -10.915 1.00 0.00 H new ATOM 572 N SER A 42 -6.350 -3.843 -12.123 1.00 0.00 N ATOM 573 CA SER A 42 -7.577 -4.166 -12.843 1.00 0.00 C ATOM 574 C SER A 42 -8.734 -4.384 -11.875 1.00 0.00 C ATOM 575 O SER A 42 -9.900 -4.363 -12.269 1.00 0.00 O ATOM 576 CB SER A 42 -7.377 -5.413 -13.706 1.00 0.00 C ATOM 577 OG SER A 42 -8.181 -5.360 -14.873 1.00 0.00 O ATOM 0 H SER A 42 -5.579 -4.490 -12.290 1.00 0.00 H new ATOM 0 HA SER A 42 -7.821 -3.323 -13.489 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.328 -5.500 -13.987 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.627 -6.303 -13.128 1.00 0.00 H new ATOM 0 HG SER A 42 -8.034 -6.167 -15.408 1.00 0.00 H new ATOM 583 N CYS A 43 -8.403 -4.593 -10.605 1.00 0.00 N ATOM 584 CA CYS A 43 -9.413 -4.816 -9.577 1.00 0.00 C ATOM 585 C CYS A 43 -10.051 -6.192 -9.729 1.00 0.00 C ATOM 586 O CYS A 43 -11.270 -6.336 -9.634 1.00 0.00 O ATOM 587 CB CYS A 43 -10.490 -3.731 -9.643 1.00 0.00 C ATOM 588 SG CYS A 43 -10.995 -3.094 -8.029 1.00 0.00 S ATOM 0 H CYS A 43 -7.442 -4.613 -10.263 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.921 -4.769 -8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.120 -2.904 -10.249 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.365 -4.133 -10.153 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.220 -2.107 -7.690 1.00 0.00 H new ATOM 594 N VAL A 44 -9.220 -7.201 -9.965 1.00 0.00 N ATOM 595 CA VAL A 44 -9.705 -8.566 -10.129 1.00 0.00 C ATOM 596 C VAL A 44 -9.046 -9.508 -9.128 1.00 0.00 C ATOM 597 O VAL A 44 -9.452 -10.662 -8.991 1.00 0.00 O ATOM 598 CB VAL A 44 -9.449 -9.089 -11.554 1.00 0.00 C ATOM 599 CG1 VAL A 44 -7.965 -9.342 -11.772 1.00 0.00 C ATOM 600 CG2 VAL A 44 -10.256 -10.353 -11.811 1.00 0.00 C ATOM 0 H VAL A 44 -8.208 -7.100 -10.047 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.780 -8.541 -9.948 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.772 -8.328 -12.264 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.804 -9.711 -12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.413 -8.412 -11.633 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.613 -10.084 -11.055 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.063 -10.709 -12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.966 -11.122 -11.095 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.318 -10.135 -11.700 1.00 0.00 H new ATOM 610 N CYS A 45 -8.029 -9.012 -8.429 1.00 0.00 N ATOM 611 CA CYS A 45 -7.323 -9.820 -7.442 1.00 0.00 C ATOM 612 C CYS A 45 -7.397 -9.184 -6.057 1.00 0.00 C ATOM 613 O CYS A 45 -7.829 -8.041 -5.908 1.00 0.00 O ATOM 614 CB CYS A 45 -5.860 -10.030 -7.860 1.00 0.00 C ATOM 615 SG CYS A 45 -4.665 -8.865 -7.116 1.00 0.00 S ATOM 0 H CYS A 45 -7.677 -8.060 -8.527 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.812 -10.793 -7.394 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.565 -11.046 -7.596 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.794 -9.950 -8.945 1.00 0.00 H new ATOM 620 N ALA A 46 -6.971 -9.936 -5.048 1.00 0.00 N ATOM 621 CA ALA A 46 -6.985 -9.451 -3.674 1.00 0.00 C ATOM 622 C ALA A 46 -5.806 -10.013 -2.887 1.00 0.00 C ATOM 623 O ALA A 46 -5.949 -10.407 -1.729 1.00 0.00 O ATOM 624 CB ALA A 46 -8.298 -9.815 -2.998 1.00 0.00 C ATOM 0 H ALA A 46 -6.612 -10.884 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.892 -8.365 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.294 -9.446 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.126 -9.362 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.417 -10.899 -2.993 1.00 0.00 H new ATOM 630 N THR A 47 -4.640 -10.048 -3.525 1.00 0.00 N ATOM 631 CA THR A 47 -3.434 -10.562 -2.886 1.00 0.00 C ATOM 632 C THR A 47 -2.429 -9.441 -2.634 1.00 0.00 C ATOM 633 O THR A 47 -1.422 -9.640 -1.954 1.00 0.00 O ATOM 634 CB THR A 47 -2.800 -11.652 -3.752 1.00 0.00 C ATOM 635 OG1 THR A 47 -3.072 -11.425 -5.122 1.00 0.00 O ATOM 636 CG2 THR A 47 -3.286 -13.044 -3.412 1.00 0.00 C ATOM 0 H THR A 47 -4.505 -9.727 -4.484 1.00 0.00 H new ATOM 0 HA THR A 47 -3.716 -10.991 -1.924 1.00 0.00 H new ATOM 0 HB THR A 47 -1.731 -11.598 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.657 -12.132 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.797 -13.769 -4.063 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.046 -13.269 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.365 -13.098 -3.555 1.00 0.00 H new ATOM 644 N CYS A 48 -2.714 -8.262 -3.178 1.00 0.00 N ATOM 645 CA CYS A 48 -1.844 -7.101 -3.007 1.00 0.00 C ATOM 646 C CYS A 48 -2.006 -6.508 -1.610 1.00 0.00 C ATOM 647 O CYS A 48 -2.268 -5.315 -1.458 1.00 0.00 O ATOM 648 CB CYS A 48 -2.173 -6.044 -4.059 1.00 0.00 C ATOM 649 SG CYS A 48 -3.941 -5.615 -4.133 1.00 0.00 S ATOM 0 H CYS A 48 -3.544 -8.084 -3.743 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.810 -7.423 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.597 -5.143 -3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.854 -6.405 -5.037 1.00 0.00 H new ATOM 654 N ARG A 49 -1.866 -7.354 -0.594 1.00 0.00 N ATOM 655 CA ARG A 49 -2.013 -6.921 0.790 1.00 0.00 C ATOM 656 C ARG A 49 -0.861 -6.018 1.224 1.00 0.00 C ATOM 657 O ARG A 49 0.020 -6.440 1.972 1.00 0.00 O ATOM 658 CB ARG A 49 -2.095 -8.136 1.716 1.00 0.00 C ATOM 659 CG ARG A 49 -2.817 -7.858 3.024 1.00 0.00 C ATOM 660 CD ARG A 49 -4.278 -8.271 2.954 1.00 0.00 C ATOM 661 NE ARG A 49 -5.145 -7.341 3.672 1.00 0.00 N ATOM 662 CZ ARG A 49 -5.659 -6.243 3.127 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.396 -5.943 1.863 1.00 0.00 N ATOM 664 NH2 ARG A 49 -6.436 -5.445 3.846 1.00 0.00 N ATOM 0 H ARG A 49 -1.651 -8.345 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.936 -6.346 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.605 -8.946 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.086 -8.484 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.324 -8.396 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.749 -6.796 3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.590 -8.325 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.393 -9.271 3.373 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.369 -7.545 4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.799 -6.555 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.791 -5.100 1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.640 -5.673 4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.830 -4.603 3.426 1.00 0.00 H new ATOM 678 N ILE A 50 -0.885 -4.769 0.770 1.00 0.00 N ATOM 679 CA ILE A 50 0.147 -3.808 1.138 1.00 0.00 C ATOM 680 C ILE A 50 -0.237 -3.115 2.438 1.00 0.00 C ATOM 681 O ILE A 50 -1.367 -3.256 2.905 1.00 0.00 O ATOM 682 CB ILE A 50 0.366 -2.755 0.037 1.00 0.00 C ATOM 683 CG1 ILE A 50 0.316 -3.415 -1.342 1.00 0.00 C ATOM 684 CG2 ILE A 50 1.696 -2.044 0.242 1.00 0.00 C ATOM 685 CD1 ILE A 50 1.164 -4.664 -1.443 1.00 0.00 C ATOM 0 H ILE A 50 -1.605 -4.400 0.149 1.00 0.00 H new ATOM 0 HA ILE A 50 1.080 -4.356 1.268 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.432 -2.015 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.718 -3.667 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.649 -2.697 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.837 -1.302 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.698 -1.549 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.507 -2.771 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.081 -5.080 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.205 -4.415 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.817 -5.399 -0.717 1.00 0.00 H new ATOM 697 N GLU A 51 0.694 -2.382 3.037 1.00 0.00 N ATOM 698 CA GLU A 51 0.402 -1.706 4.295 1.00 0.00 C ATOM 699 C GLU A 51 1.034 -0.322 4.382 1.00 0.00 C ATOM 700 O GLU A 51 2.256 -0.181 4.408 1.00 0.00 O ATOM 701 CB GLU A 51 0.879 -2.558 5.471 1.00 0.00 C ATOM 702 CG GLU A 51 -0.133 -3.599 5.917 1.00 0.00 C ATOM 703 CD GLU A 51 0.472 -4.645 6.832 1.00 0.00 C ATOM 704 OE1 GLU A 51 1.626 -4.455 7.270 1.00 0.00 O ATOM 705 OE2 GLU A 51 -0.208 -5.655 7.109 1.00 0.00 O ATOM 0 H GLU A 51 1.639 -2.242 2.681 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.679 -1.574 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.806 -3.060 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.110 -1.905 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.956 -3.103 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.555 -4.089 5.040 1.00 0.00 H new ATOM 712 N ILE A 52 0.181 0.690 4.473 1.00 0.00 N ATOM 713 CA ILE A 52 0.625 2.069 4.613 1.00 0.00 C ATOM 714 C ILE A 52 1.241 2.250 5.986 1.00 0.00 C ATOM 715 O ILE A 52 0.785 1.621 6.941 1.00 0.00 O ATOM 716 CB ILE A 52 -0.568 3.031 4.494 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.195 2.922 3.112 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.137 4.460 4.785 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.448 3.707 2.071 1.00 0.00 C ATOM 0 H ILE A 52 -0.833 0.578 4.452 1.00 0.00 H new ATOM 0 HA ILE A 52 1.349 2.286 3.827 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.317 2.751 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.229 1.874 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.225 3.275 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.996 5.125 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.264 4.520 5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.630 4.761 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.941 3.592 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.436 4.761 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.575 3.338 2.002 1.00 0.00 H new ATOM 731 N GLU A 53 2.254 3.102 6.135 1.00 0.00 N ATOM 732 CA GLU A 53 2.803 3.259 7.478 1.00 0.00 C ATOM 733 C GLU A 53 1.644 3.652 8.404 1.00 0.00 C ATOM 734 O GLU A 53 0.595 4.076 7.920 1.00 0.00 O ATOM 735 CB GLU A 53 3.968 4.264 7.516 1.00 0.00 C ATOM 736 CG GLU A 53 3.622 5.603 8.130 1.00 0.00 C ATOM 737 CD GLU A 53 4.026 5.706 9.589 1.00 0.00 C ATOM 738 OE1 GLU A 53 3.247 5.267 10.458 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.126 6.230 9.861 1.00 0.00 O ATOM 0 H GLU A 53 2.687 3.659 5.398 1.00 0.00 H new ATOM 0 HA GLU A 53 3.241 2.321 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.793 3.824 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.325 4.426 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.115 6.394 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.548 5.770 8.043 1.00 0.00 H new ATOM 746 N ASP A 54 1.796 3.483 9.714 1.00 0.00 N ATOM 747 CA ASP A 54 0.701 3.799 10.645 1.00 0.00 C ATOM 748 C ASP A 54 0.551 5.297 10.918 1.00 0.00 C ATOM 749 O ASP A 54 -0.022 5.698 11.930 1.00 0.00 O ATOM 750 CB ASP A 54 0.895 3.044 11.961 1.00 0.00 C ATOM 751 CG ASP A 54 -0.398 2.898 12.740 1.00 0.00 C ATOM 752 OD1 ASP A 54 -0.904 3.922 13.246 1.00 0.00 O ATOM 753 OD2 ASP A 54 -0.904 1.761 12.844 1.00 0.00 O ATOM 0 H ASP A 54 2.647 3.136 10.156 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.221 3.476 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.304 2.055 11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.628 3.569 12.574 1.00 0.00 H new ATOM 758 N ALA A 55 1.046 6.111 10.003 1.00 0.00 N ATOM 759 CA ALA A 55 0.955 7.555 10.111 1.00 0.00 C ATOM 760 C ALA A 55 0.066 8.109 9.016 1.00 0.00 C ATOM 761 O ALA A 55 -0.478 9.205 9.132 1.00 0.00 O ATOM 762 CB ALA A 55 2.336 8.176 9.990 1.00 0.00 C ATOM 0 H ALA A 55 1.524 5.788 9.162 1.00 0.00 H new ATOM 0 HA ALA A 55 0.528 7.800 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.256 9.260 10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.976 7.798 10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.768 7.917 9.024 1.00 0.00 H new ATOM 768 N TRP A 56 -0.009 7.366 7.919 1.00 0.00 N ATOM 769 CA TRP A 56 -0.753 7.803 6.752 1.00 0.00 C ATOM 770 C TRP A 56 -2.026 7.054 6.506 1.00 0.00 C ATOM 771 O TRP A 56 -2.713 7.320 5.528 1.00 0.00 O ATOM 772 CB TRP A 56 0.134 7.670 5.551 1.00 0.00 C ATOM 773 CG TRP A 56 1.367 8.429 5.768 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.344 8.113 6.651 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.748 9.641 5.143 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.308 9.067 6.648 1.00 0.00 N ATOM 777 CE2 TRP A 56 2.985 10.006 5.714 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.178 10.460 4.150 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.663 11.143 5.338 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.872 11.594 3.772 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.102 11.922 4.365 1.00 0.00 C ATOM 0 H TRP A 56 0.439 6.455 7.816 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.048 8.836 6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.367 6.620 5.372 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.380 8.038 4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.354 7.228 7.269 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.135 9.080 7.244 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.229 10.210 3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.604 11.410 5.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.462 12.238 3.008 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.619 12.814 4.043 1.00 0.00 H new ATOM 792 N VAL A 57 -2.372 6.143 7.367 1.00 0.00 N ATOM 793 CA VAL A 57 -3.599 5.433 7.165 1.00 0.00 C ATOM 794 C VAL A 57 -4.746 6.393 7.332 1.00 0.00 C ATOM 795 O VAL A 57 -5.741 6.346 6.610 1.00 0.00 O ATOM 796 CB VAL A 57 -3.746 4.304 8.151 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.995 3.530 7.825 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.502 3.462 8.096 1.00 0.00 C ATOM 0 H VAL A 57 -1.838 5.879 8.195 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.596 5.008 6.161 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.853 4.669 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.110 2.710 8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.860 4.190 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.921 3.128 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.589 2.638 8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.376 3.064 7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.637 4.073 8.355 1.00 0.00 H new ATOM 808 N GLU A 58 -4.563 7.299 8.276 1.00 0.00 N ATOM 809 CA GLU A 58 -5.546 8.326 8.534 1.00 0.00 C ATOM 810 C GLU A 58 -5.374 9.437 7.506 1.00 0.00 C ATOM 811 O GLU A 58 -6.163 10.380 7.446 1.00 0.00 O ATOM 812 CB GLU A 58 -5.394 8.881 9.953 1.00 0.00 C ATOM 813 CG GLU A 58 -5.672 7.857 11.043 1.00 0.00 C ATOM 814 CD GLU A 58 -5.979 8.500 12.381 1.00 0.00 C ATOM 815 OE1 GLU A 58 -5.574 9.663 12.588 1.00 0.00 O ATOM 816 OE2 GLU A 58 -6.626 7.841 13.222 1.00 0.00 O ATOM 0 H GLU A 58 -3.739 7.341 8.876 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.546 7.899 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.381 9.265 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.072 9.725 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.513 7.231 10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.808 7.201 11.149 1.00 0.00 H new ATOM 823 N ILE A 59 -4.333 9.296 6.680 1.00 0.00 N ATOM 824 CA ILE A 59 -4.044 10.266 5.623 1.00 0.00 C ATOM 825 C ILE A 59 -4.476 9.705 4.286 1.00 0.00 C ATOM 826 O ILE A 59 -4.903 10.425 3.384 1.00 0.00 O ATOM 827 CB ILE A 59 -2.536 10.579 5.528 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.129 11.565 6.604 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.166 11.132 4.154 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.736 11.334 7.116 1.00 0.00 C ATOM 0 H ILE A 59 -3.676 8.517 6.724 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.587 11.179 5.868 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.997 9.643 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.201 12.578 6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.831 11.498 7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.097 11.341 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.415 10.398 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.722 12.052 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.504 12.072 7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.666 10.333 7.541 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.026 11.429 6.295 1.00 0.00 H new ATOM 842 N VAL A 60 -4.305 8.405 4.174 1.00 0.00 N ATOM 843 CA VAL A 60 -4.607 7.683 2.966 1.00 0.00 C ATOM 844 C VAL A 60 -6.045 7.203 2.954 1.00 0.00 C ATOM 845 O VAL A 60 -6.735 7.299 1.939 1.00 0.00 O ATOM 846 CB VAL A 60 -3.645 6.499 2.842 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.893 5.730 1.556 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.202 6.997 2.938 1.00 0.00 C ATOM 0 H VAL A 60 -3.949 7.818 4.928 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.482 8.351 2.114 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.822 5.806 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.197 4.894 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.915 5.352 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.745 6.391 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.519 6.152 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.008 7.707 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.050 7.488 3.899 1.00 0.00 H new ATOM 858 N GLY A 61 -6.499 6.702 4.091 1.00 0.00 N ATOM 859 CA GLY A 61 -7.870 6.235 4.177 1.00 0.00 C ATOM 860 C GLY A 61 -8.052 4.849 3.598 1.00 0.00 C ATOM 861 O GLY A 61 -8.411 4.707 2.432 1.00 0.00 O ATOM 0 H GLY A 61 -5.953 6.610 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.184 6.232 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.521 6.933 3.650 1.00 0.00 H new ATOM 865 N GLU A 62 -7.789 3.825 4.402 1.00 0.00 N ATOM 866 CA GLU A 62 -7.910 2.458 3.947 1.00 0.00 C ATOM 867 C GLU A 62 -9.209 2.261 3.185 1.00 0.00 C ATOM 868 O GLU A 62 -10.071 3.138 3.150 1.00 0.00 O ATOM 869 CB GLU A 62 -7.858 1.494 5.134 1.00 0.00 C ATOM 870 CG GLU A 62 -6.815 1.863 6.176 1.00 0.00 C ATOM 871 CD GLU A 62 -6.662 0.801 7.245 1.00 0.00 C ATOM 872 OE1 GLU A 62 -6.579 -0.393 6.889 1.00 0.00 O ATOM 873 OE2 GLU A 62 -6.627 1.163 8.440 1.00 0.00 O ATOM 0 H GLU A 62 -7.491 3.923 5.372 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.074 2.248 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.838 1.464 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.651 0.489 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.855 2.020 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.092 2.808 6.644 1.00 0.00 H new ATOM 880 N ALA A 63 -9.319 1.107 2.559 1.00 0.00 N ATOM 881 CA ALA A 63 -10.493 0.768 1.761 1.00 0.00 C ATOM 882 C ALA A 63 -11.745 0.628 2.610 1.00 0.00 C ATOM 883 O ALA A 63 -11.697 0.159 3.747 1.00 0.00 O ATOM 884 CB ALA A 63 -10.263 -0.519 0.985 1.00 0.00 C ATOM 0 H ALA A 63 -8.606 0.378 2.585 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.647 1.593 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.151 -0.753 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.409 -0.395 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.064 -1.333 1.682 1.00 0.00 H new ATOM 890 N ASN A 64 -12.869 1.015 2.025 1.00 0.00 N ATOM 891 CA ASN A 64 -14.148 0.922 2.672 1.00 0.00 C ATOM 892 C ASN A 64 -14.376 -0.498 3.164 1.00 0.00 C ATOM 893 O ASN A 64 -13.575 -1.398 2.913 1.00 0.00 O ATOM 894 CB ASN A 64 -15.243 1.327 1.676 1.00 0.00 C ATOM 895 CG ASN A 64 -15.007 0.753 0.290 1.00 0.00 C ATOM 896 OD1 ASN A 64 -13.918 0.272 -0.020 1.00 0.00 O ATOM 897 ND2 ASN A 64 -16.033 0.800 -0.552 1.00 0.00 N ATOM 0 H ASN A 64 -12.908 1.403 1.083 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.178 1.592 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.210 0.988 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.289 2.414 1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.935 0.428 -1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.919 1.208 -0.254 1.00 0.00 H new ATOM 904 N PRO A 65 -15.478 -0.702 3.873 1.00 0.00 N ATOM 905 CA PRO A 65 -15.860 -2.001 4.426 1.00 0.00 C ATOM 906 C PRO A 65 -16.276 -2.999 3.344 1.00 0.00 C ATOM 907 O PRO A 65 -16.709 -4.110 3.650 1.00 0.00 O ATOM 908 CB PRO A 65 -17.050 -1.665 5.342 1.00 0.00 C ATOM 909 CG PRO A 65 -17.042 -0.173 5.473 1.00 0.00 C ATOM 910 CD PRO A 65 -16.442 0.339 4.199 1.00 0.00 C ATOM 0 HA PRO A 65 -15.030 -2.481 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.988 -2.017 4.912 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.945 -2.145 6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.051 0.214 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -16.456 0.142 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.191 0.460 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.964 1.309 4.335 1.00 0.00 H new ATOM 918 N ASP A 66 -16.136 -2.603 2.077 1.00 0.00 N ATOM 919 CA ASP A 66 -16.492 -3.470 0.960 1.00 0.00 C ATOM 920 C ASP A 66 -15.290 -4.300 0.522 1.00 0.00 C ATOM 921 O ASP A 66 -15.356 -5.528 0.466 1.00 0.00 O ATOM 922 CB ASP A 66 -17.008 -2.639 -0.217 1.00 0.00 C ATOM 923 CG ASP A 66 -18.295 -1.907 0.110 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.725 -1.955 1.282 1.00 0.00 O ATOM 925 OD2 ASP A 66 -18.874 -1.285 -0.806 1.00 0.00 O ATOM 0 H ASP A 66 -15.779 -1.688 1.803 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.282 -4.144 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.246 -1.916 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.173 -3.292 -1.074 1.00 0.00 H new ATOM 930 N GLU A 67 -14.191 -3.617 0.213 1.00 0.00 N ATOM 931 CA GLU A 67 -12.968 -4.286 -0.219 1.00 0.00 C ATOM 932 C GLU A 67 -12.222 -4.876 0.973 1.00 0.00 C ATOM 933 O GLU A 67 -11.405 -5.783 0.820 1.00 0.00 O ATOM 934 CB GLU A 67 -12.063 -3.306 -0.968 1.00 0.00 C ATOM 935 CG GLU A 67 -12.826 -2.257 -1.759 1.00 0.00 C ATOM 936 CD GLU A 67 -14.041 -2.830 -2.463 1.00 0.00 C ATOM 937 OE1 GLU A 67 -13.897 -3.865 -3.148 1.00 0.00 O ATOM 938 OE2 GLU A 67 -15.136 -2.244 -2.330 1.00 0.00 O ATOM 0 H GLU A 67 -14.123 -2.600 0.254 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.245 -5.099 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.411 -2.806 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.420 -3.865 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.142 -1.459 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.161 -1.808 -2.497 1.00 0.00 H new ATOM 945 N ASN A 68 -12.511 -4.353 2.161 1.00 0.00 N ATOM 946 CA ASN A 68 -11.869 -4.827 3.383 1.00 0.00 C ATOM 947 C ASN A 68 -12.620 -6.022 3.963 1.00 0.00 C ATOM 948 O ASN A 68 -12.049 -6.828 4.698 1.00 0.00 O ATOM 949 CB ASN A 68 -11.801 -3.701 4.416 1.00 0.00 C ATOM 950 CG ASN A 68 -10.813 -3.994 5.528 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.623 -3.702 5.409 1.00 0.00 O ATOM 952 ND2 ASN A 68 -11.302 -4.574 6.618 1.00 0.00 N ATOM 0 H ASN A 68 -13.185 -3.601 2.304 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.856 -5.144 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.519 -2.773 3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.791 -3.545 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.684 -4.795 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.295 -4.799 6.674 1.00 0.00 H new ATOM 959 N ASP A 69 -13.901 -6.129 3.627 1.00 0.00 N ATOM 960 CA ASP A 69 -14.729 -7.227 4.113 1.00 0.00 C ATOM 961 C ASP A 69 -14.424 -8.512 3.353 1.00 0.00 C ATOM 962 O ASP A 69 -14.122 -9.544 3.953 1.00 0.00 O ATOM 963 CB ASP A 69 -16.212 -6.877 3.972 1.00 0.00 C ATOM 964 CG ASP A 69 -17.119 -8.032 4.350 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.043 -8.492 5.509 1.00 0.00 O ATOM 966 OD2 ASP A 69 -17.906 -8.475 3.488 1.00 0.00 O ATOM 0 H ASP A 69 -14.388 -5.469 3.021 1.00 0.00 H new ATOM 0 HA ASP A 69 -14.499 -7.385 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.441 -6.018 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.416 -6.581 2.943 1.00 0.00 H new ATOM 971 N LEU A 70 -14.503 -8.442 2.028 1.00 0.00 N ATOM 972 CA LEU A 70 -14.233 -9.599 1.184 1.00 0.00 C ATOM 973 C LEU A 70 -12.890 -10.230 1.541 1.00 0.00 C ATOM 974 O LEU A 70 -12.738 -11.451 1.511 1.00 0.00 O ATOM 975 CB LEU A 70 -14.246 -9.195 -0.292 1.00 0.00 C ATOM 976 CG LEU A 70 -12.889 -8.782 -0.863 1.00 0.00 C ATOM 977 CD1 LEU A 70 -12.063 -10.009 -1.213 1.00 0.00 C ATOM 978 CD2 LEU A 70 -13.072 -7.893 -2.085 1.00 0.00 C ATOM 0 H LEU A 70 -14.752 -7.596 1.516 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.017 -10.336 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.630 -10.030 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.944 -8.368 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.354 -8.213 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.101 -9.696 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.902 -10.607 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.593 -10.605 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.096 -7.609 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.627 -8.436 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.625 -6.997 -1.803 1.00 0.00 H new ATOM 990 N LEU A 71 -11.919 -9.387 1.881 1.00 0.00 N ATOM 991 CA LEU A 71 -10.589 -9.860 2.245 1.00 0.00 C ATOM 992 C LEU A 71 -10.584 -10.424 3.663 1.00 0.00 C ATOM 993 O LEU A 71 -9.829 -11.345 3.974 1.00 0.00 O ATOM 994 CB LEU A 71 -9.573 -8.721 2.134 1.00 0.00 C ATOM 995 CG LEU A 71 -8.331 -9.040 1.302 1.00 0.00 C ATOM 996 CD1 LEU A 71 -7.315 -9.810 2.132 1.00 0.00 C ATOM 997 CD2 LEU A 71 -8.713 -9.827 0.057 1.00 0.00 C ATOM 0 H LEU A 71 -12.029 -8.373 1.912 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.310 -10.656 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.069 -7.853 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.256 -8.438 3.138 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.875 -8.101 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.438 -10.028 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.019 -9.210 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.759 -10.744 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.817 -10.046 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.193 -10.761 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.403 -9.239 -0.548 1.00 0.00 H new ATOM 1009 N GLN A 72 -11.435 -9.864 4.517 1.00 0.00 N ATOM 1010 CA GLN A 72 -11.533 -10.310 5.901 1.00 0.00 C ATOM 1011 C GLN A 72 -12.334 -11.604 5.999 1.00 0.00 C ATOM 1012 O GLN A 72 -12.273 -12.309 7.006 1.00 0.00 O ATOM 1013 CB GLN A 72 -12.185 -9.226 6.762 1.00 0.00 C ATOM 1014 CG GLN A 72 -11.208 -8.173 7.259 1.00 0.00 C ATOM 1015 CD GLN A 72 -11.279 -7.976 8.761 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -12.072 -7.176 9.257 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -10.448 -8.709 9.493 1.00 0.00 N ATOM 0 H GLN A 72 -12.066 -9.101 4.274 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.525 -10.499 6.269 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -12.969 -8.738 6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.667 -9.696 7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.195 -8.463 6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.416 -7.226 6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.807 -9.360 9.039 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.451 -8.621 10.509 1.00 0.00 H new ATOM 1026 N SER A 73 -13.086 -11.909 4.946 1.00 0.00 N ATOM 1027 CA SER A 73 -13.899 -13.119 4.912 1.00 0.00 C ATOM 1028 C SER A 73 -13.050 -14.354 5.197 1.00 0.00 C ATOM 1029 O SER A 73 -13.516 -15.311 5.813 1.00 0.00 O ATOM 1030 CB SER A 73 -14.582 -13.259 3.551 1.00 0.00 C ATOM 1031 OG SER A 73 -15.653 -14.185 3.609 1.00 0.00 O ATOM 0 H SER A 73 -13.149 -11.335 4.105 1.00 0.00 H new ATOM 0 HA SER A 73 -14.660 -13.038 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.955 -12.288 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.855 -13.586 2.808 1.00 0.00 H new ATOM 0 HG SER A 73 -16.073 -14.255 2.726 1.00 0.00 H new ATOM 1037 N THR A 74 -11.801 -14.323 4.744 1.00 0.00 N ATOM 1038 CA THR A 74 -10.885 -15.440 4.951 1.00 0.00 C ATOM 1039 C THR A 74 -10.742 -15.758 6.435 1.00 0.00 C ATOM 1040 O THR A 74 -10.914 -16.903 6.854 1.00 0.00 O ATOM 1041 CB THR A 74 -9.515 -15.120 4.351 1.00 0.00 C ATOM 1042 OG1 THR A 74 -8.951 -13.979 4.971 1.00 0.00 O ATOM 1043 CG2 THR A 74 -9.561 -14.857 2.861 1.00 0.00 C ATOM 0 H THR A 74 -11.400 -13.538 4.232 1.00 0.00 H new ATOM 0 HA THR A 74 -11.298 -16.315 4.449 1.00 0.00 H new ATOM 0 HB THR A 74 -8.907 -16.007 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.315 -13.168 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.557 -14.637 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.946 -15.738 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.213 -14.007 2.662 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.426 -14.738 7.225 1.00 0.00 N ATOM 1052 CA GLY A 75 -10.265 -14.929 8.655 1.00 0.00 C ATOM 1053 C GLY A 75 -8.841 -14.690 9.115 1.00 0.00 C ATOM 1054 O GLY A 75 -8.437 -15.162 10.178 1.00 0.00 O ATOM 0 H GLY A 75 -10.278 -13.782 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.934 -14.252 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.563 -15.944 8.919 1.00 0.00 H new ATOM 1058 N GLU A 76 -8.078 -13.955 8.313 1.00 0.00 N ATOM 1059 CA GLU A 76 -6.689 -13.653 8.642 1.00 0.00 C ATOM 1060 C GLU A 76 -6.583 -12.316 9.368 1.00 0.00 C ATOM 1061 O GLU A 76 -7.350 -11.391 9.103 1.00 0.00 O ATOM 1062 CB GLU A 76 -5.837 -13.628 7.372 1.00 0.00 C ATOM 1063 CG GLU A 76 -5.566 -15.007 6.795 1.00 0.00 C ATOM 1064 CD GLU A 76 -4.527 -14.983 5.690 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -3.472 -14.342 5.881 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -4.769 -15.604 4.634 1.00 0.00 O ATOM 0 H GLU A 76 -8.398 -13.557 7.430 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.318 -14.436 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.339 -13.021 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.886 -13.142 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.229 -15.670 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.495 -15.423 6.406 1.00 0.00 H new ATOM 1073 N PRO A 77 -5.623 -12.199 10.298 1.00 0.00 N ATOM 1074 CA PRO A 77 -5.414 -10.969 11.069 1.00 0.00 C ATOM 1075 C PRO A 77 -4.958 -9.806 10.195 1.00 0.00 C ATOM 1076 O PRO A 77 -4.354 -10.007 9.141 1.00 0.00 O ATOM 1077 CB PRO A 77 -4.316 -11.349 12.068 1.00 0.00 C ATOM 1078 CG PRO A 77 -3.624 -12.519 11.457 1.00 0.00 C ATOM 1079 CD PRO A 77 -4.671 -13.257 10.670 1.00 0.00 C ATOM 0 HA PRO A 77 -6.335 -10.627 11.541 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.625 -10.521 12.228 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.738 -11.604 13.040 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.807 -12.196 10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.190 -13.160 12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.246 -13.743 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.147 -14.036 11.266 1.00 0.00 H new ATOM 1087 N MET A 78 -5.251 -8.590 10.642 1.00 0.00 N ATOM 1088 CA MET A 78 -4.872 -7.390 9.905 1.00 0.00 C ATOM 1089 C MET A 78 -4.575 -6.239 10.860 1.00 0.00 C ATOM 1090 O MET A 78 -5.121 -6.177 11.961 1.00 0.00 O ATOM 1091 CB MET A 78 -5.984 -6.988 8.934 1.00 0.00 C ATOM 1092 CG MET A 78 -5.959 -7.762 7.626 1.00 0.00 C ATOM 1093 SD MET A 78 -7.545 -7.725 6.768 1.00 0.00 S ATOM 1094 CE MET A 78 -8.036 -6.024 7.041 1.00 0.00 C ATOM 0 H MET A 78 -5.751 -8.409 11.513 1.00 0.00 H new ATOM 0 HA MET A 78 -3.968 -7.612 9.338 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.949 -7.139 9.417 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.899 -5.923 8.718 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.189 -7.346 6.976 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.682 -8.797 7.826 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.861 -5.772 6.375 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.354 -5.899 8.076 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.192 -5.365 6.839 1.00 0.00 H new ATOM 1104 N THR A 79 -3.707 -5.328 10.431 1.00 0.00 N ATOM 1105 CA THR A 79 -3.339 -4.179 11.249 1.00 0.00 C ATOM 1106 C THR A 79 -3.981 -2.904 10.716 1.00 0.00 C ATOM 1107 O THR A 79 -4.796 -2.945 9.794 1.00 0.00 O ATOM 1108 CB THR A 79 -1.819 -4.018 11.286 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.358 -3.360 10.120 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.079 -5.334 11.394 1.00 0.00 C ATOM 0 H THR A 79 -3.246 -5.364 9.522 1.00 0.00 H new ATOM 0 HA THR A 79 -3.705 -4.354 12.261 1.00 0.00 H new ATOM 0 HB THR A 79 -1.612 -3.430 12.180 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.384 -3.264 10.162 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.005 -5.147 11.415 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.377 -5.845 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.321 -5.959 10.535 1.00 0.00 H new ATOM 1118 N ALA A 80 -3.608 -1.771 11.303 1.00 0.00 N ATOM 1119 CA ALA A 80 -4.147 -0.483 10.887 1.00 0.00 C ATOM 1120 C ALA A 80 -3.397 0.064 9.678 1.00 0.00 C ATOM 1121 O ALA A 80 -2.233 0.454 9.781 1.00 0.00 O ATOM 1122 CB ALA A 80 -4.089 0.510 12.038 1.00 0.00 C ATOM 0 H ALA A 80 -2.935 -1.720 12.068 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.188 -0.630 10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.495 1.468 11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.677 0.132 12.875 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.054 0.643 12.352 1.00 0.00 H new ATOM 1128 N GLY A 81 -4.071 0.091 8.534 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.455 0.594 7.320 1.00 0.00 C ATOM 1130 C GLY A 81 -3.400 -0.447 6.220 1.00 0.00 C ATOM 1131 O GLY A 81 -2.918 -0.173 5.120 1.00 0.00 O ATOM 0 H GLY A 81 -5.034 -0.227 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.012 1.462 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.444 0.934 7.544 1.00 0.00 H new ATOM 1135 N THR A 82 -3.893 -1.643 6.515 1.00 0.00 N ATOM 1136 CA THR A 82 -3.898 -2.729 5.543 1.00 0.00 C ATOM 1137 C THR A 82 -5.019 -2.545 4.523 1.00 0.00 C ATOM 1138 O THR A 82 -6.195 -2.726 4.840 1.00 0.00 O ATOM 1139 CB THR A 82 -4.057 -4.072 6.259 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.789 -3.935 7.643 1.00 0.00 O ATOM 1141 CG2 THR A 82 -3.143 -5.149 5.722 1.00 0.00 C ATOM 0 H THR A 82 -4.295 -1.886 7.420 1.00 0.00 H new ATOM 0 HA THR A 82 -2.947 -2.715 5.011 1.00 0.00 H new ATOM 0 HB THR A 82 -5.090 -4.373 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.604 -3.652 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.308 -6.074 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.356 -5.314 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.105 -4.837 5.838 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.648 -2.188 3.296 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.625 -1.985 2.231 1.00 0.00 C ATOM 1151 C ARG A 83 -4.967 -2.098 0.861 1.00 0.00 C ATOM 1152 O ARG A 83 -3.779 -1.816 0.704 1.00 0.00 O ATOM 1153 CB ARG A 83 -6.301 -0.618 2.370 1.00 0.00 C ATOM 1154 CG ARG A 83 -5.328 0.528 2.594 1.00 0.00 C ATOM 1155 CD ARG A 83 -5.394 1.555 1.470 1.00 0.00 C ATOM 1156 NE ARG A 83 -6.765 1.966 1.169 1.00 0.00 N ATOM 1157 CZ ARG A 83 -7.085 3.148 0.652 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -6.140 4.040 0.395 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -8.353 3.440 0.398 1.00 0.00 N ATOM 0 H ARG A 83 -3.680 -2.034 3.015 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.382 -2.764 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.883 -0.418 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.004 -0.654 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.551 1.014 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.314 0.135 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.808 2.431 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.938 1.137 0.573 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.519 1.308 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.164 3.821 0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.388 4.946 -0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.084 2.757 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.598 4.347 0.001 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.750 -2.512 -0.129 1.00 0.00 N ATOM 1174 CA LEU A 84 -5.249 -2.664 -1.489 1.00 0.00 C ATOM 1175 C LEU A 84 -4.546 -1.395 -1.954 1.00 0.00 C ATOM 1176 O LEU A 84 -5.177 -0.487 -2.497 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.397 -3.001 -2.441 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.098 -4.331 -2.164 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -8.207 -4.144 -1.140 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -7.653 -4.915 -3.453 1.00 0.00 C ATOM 0 H LEU A 84 -6.736 -2.749 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.527 -3.481 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.136 -2.201 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.011 -3.017 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.368 -5.030 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.696 -5.100 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.783 -3.766 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.938 -3.431 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.149 -5.862 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.370 -4.219 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.838 -5.083 -4.157 1.00 0.00 H new ATOM 1192 N SER A 85 -3.237 -1.338 -1.739 1.00 0.00 N ATOM 1193 CA SER A 85 -2.448 -0.179 -2.136 1.00 0.00 C ATOM 1194 C SER A 85 -2.648 0.136 -3.615 1.00 0.00 C ATOM 1195 O SER A 85 -2.838 1.292 -3.993 1.00 0.00 O ATOM 1196 CB SER A 85 -0.964 -0.422 -1.855 1.00 0.00 C ATOM 1197 OG SER A 85 -0.150 0.417 -2.654 1.00 0.00 O ATOM 0 H SER A 85 -2.700 -2.081 -1.292 1.00 0.00 H new ATOM 0 HA SER A 85 -2.788 0.675 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.756 -0.239 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.720 -1.466 -2.052 1.00 0.00 H new ATOM 0 HG SER A 85 0.596 -0.103 -3.020 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.602 -0.899 -4.448 1.00 0.00 N ATOM 1204 CA CYS A 86 -2.776 -0.727 -5.885 1.00 0.00 C ATOM 1205 C CYS A 86 -4.040 0.073 -6.183 1.00 0.00 C ATOM 1206 O CYS A 86 -4.152 0.713 -7.229 1.00 0.00 O ATOM 1207 CB CYS A 86 -2.845 -2.088 -6.587 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.522 -2.800 -6.680 1.00 0.00 S ATOM 0 H CYS A 86 -2.446 -1.863 -4.153 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.915 -0.177 -6.265 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.451 -1.983 -7.598 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.194 -2.788 -6.062 1.00 0.00 H new ATOM 1213 N GLN A 87 -4.995 0.019 -5.260 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.260 0.724 -5.422 1.00 0.00 C ATOM 1215 C GLN A 87 -6.203 2.123 -4.817 1.00 0.00 C ATOM 1216 O GLN A 87 -7.179 2.871 -4.879 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.395 -0.076 -4.779 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.729 0.653 -4.768 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.904 -0.277 -5.004 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -10.083 -0.802 -6.103 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -10.712 -0.485 -3.971 1.00 0.00 N ATOM 0 H GLN A 87 -4.916 -0.507 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.449 0.827 -6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.511 -1.019 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.118 -0.323 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.856 1.157 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.723 1.426 -5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.526 -0.029 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.519 -1.101 -4.071 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.063 2.479 -4.232 1.00 0.00 N ATOM 1231 CA VAL A 88 -4.904 3.782 -3.628 1.00 0.00 C ATOM 1232 C VAL A 88 -4.169 4.725 -4.565 1.00 0.00 C ATOM 1233 O VAL A 88 -3.505 4.282 -5.500 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.125 3.684 -2.319 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.156 5.016 -1.621 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -4.692 2.584 -1.434 1.00 0.00 C ATOM 0 H VAL A 88 -4.241 1.878 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.902 4.172 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.089 3.424 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.600 4.950 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.701 5.772 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.189 5.293 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.121 2.533 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.735 2.802 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.626 1.628 -1.954 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.296 6.028 -4.336 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.633 6.984 -5.207 1.00 0.00 C ATOM 1248 C PHE A 89 -3.301 8.303 -4.533 1.00 0.00 C ATOM 1249 O PHE A 89 -4.064 8.840 -3.730 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.487 7.196 -6.437 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.880 5.884 -7.017 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.042 5.239 -7.909 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -6.064 5.274 -6.634 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -4.382 3.999 -8.425 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -6.416 4.037 -7.147 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.574 3.397 -8.046 1.00 0.00 C ATOM 0 H PHE A 89 -4.838 6.436 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.667 6.561 -5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.377 7.769 -6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.937 7.779 -7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.115 5.706 -8.206 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.717 5.767 -5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.721 3.502 -9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.343 3.571 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.846 2.433 -8.450 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.122 8.791 -4.884 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.573 10.029 -4.366 1.00 0.00 C ATOM 1268 C ILE A 90 -2.442 11.254 -4.663 1.00 0.00 C ATOM 1269 O ILE A 90 -3.100 11.339 -5.700 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.182 10.237 -4.982 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.755 9.128 -4.526 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.403 11.573 -4.596 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.547 9.511 -3.295 1.00 0.00 C ATOM 0 H ILE A 90 -1.508 8.325 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.527 9.936 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.293 10.213 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.175 8.229 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.443 8.882 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.387 11.684 -5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.251 12.371 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.496 11.630 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.200 8.686 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.150 10.393 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.862 9.731 -2.476 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.414 12.203 -3.731 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.136 13.434 -3.809 1.00 0.00 C ATOM 1287 C ASP A 91 -2.471 14.384 -2.827 1.00 0.00 C ATOM 1288 O ASP A 91 -1.805 13.920 -1.901 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.590 13.168 -3.440 1.00 0.00 C ATOM 1290 CG ASP A 91 -4.747 11.962 -2.534 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -3.780 11.636 -1.816 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.833 11.346 -2.544 1.00 0.00 O ATOM 0 H ASP A 91 -1.863 12.116 -2.877 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.124 13.869 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.003 14.047 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.170 13.013 -4.350 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.598 15.706 -2.987 1.00 0.00 N ATOM 1298 CA PRO A 92 -1.962 16.675 -2.069 1.00 0.00 C ATOM 1299 C PRO A 92 -2.422 16.509 -0.612 1.00 0.00 C ATOM 1300 O PRO A 92 -2.353 17.438 0.192 1.00 0.00 O ATOM 1301 CB PRO A 92 -2.394 18.030 -2.643 1.00 0.00 C ATOM 1302 CG PRO A 92 -2.717 17.740 -4.073 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.328 16.369 -4.070 1.00 0.00 C ATOM 0 HA PRO A 92 -0.881 16.547 -2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.259 18.429 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.598 18.770 -2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.409 18.478 -4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.821 17.770 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.400 16.402 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.191 15.860 -5.024 1.00 0.00 H new ATOM 1311 N SER A 93 -2.880 15.303 -0.300 1.00 0.00 N ATOM 1312 CA SER A 93 -3.355 14.918 1.006 1.00 0.00 C ATOM 1313 C SER A 93 -2.454 13.843 1.601 1.00 0.00 C ATOM 1314 O SER A 93 -2.359 13.686 2.818 1.00 0.00 O ATOM 1315 CB SER A 93 -4.753 14.348 0.838 1.00 0.00 C ATOM 1316 OG SER A 93 -4.999 14.000 -0.510 1.00 0.00 O ATOM 0 H SER A 93 -2.929 14.545 -0.980 1.00 0.00 H new ATOM 0 HA SER A 93 -3.355 15.782 1.670 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.870 13.469 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.490 15.080 1.169 1.00 0.00 H new ATOM 0 HG SER A 93 -5.904 13.634 -0.593 1.00 0.00 H new ATOM 1322 N MET A 94 -1.820 13.090 0.711 1.00 0.00 N ATOM 1323 CA MET A 94 -0.945 11.999 1.081 1.00 0.00 C ATOM 1324 C MET A 94 0.418 12.183 0.432 1.00 0.00 C ATOM 1325 O MET A 94 0.936 11.290 -0.232 1.00 0.00 O ATOM 1326 CB MET A 94 -1.579 10.692 0.619 1.00 0.00 C ATOM 1327 CG MET A 94 -2.898 10.388 1.305 1.00 0.00 C ATOM 1328 SD MET A 94 -4.165 9.812 0.158 1.00 0.00 S ATOM 1329 CE MET A 94 -3.238 8.625 -0.810 1.00 0.00 C ATOM 0 H MET A 94 -1.904 13.226 -0.296 1.00 0.00 H new ATOM 0 HA MET A 94 -0.808 11.980 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.739 10.735 -0.458 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.884 9.873 0.805 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.737 9.631 2.072 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.254 11.285 1.812 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.916 7.867 -1.203 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.745 9.136 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.488 8.148 -0.180 1.00 0.00 H new ATOM 1339 N ASP A 95 0.986 13.358 0.623 1.00 0.00 N ATOM 1340 CA ASP A 95 2.265 13.688 0.066 1.00 0.00 C ATOM 1341 C ASP A 95 3.357 13.338 1.059 1.00 0.00 C ATOM 1342 O ASP A 95 3.251 13.672 2.235 1.00 0.00 O ATOM 1343 CB ASP A 95 2.300 15.177 -0.307 1.00 0.00 C ATOM 1344 CG ASP A 95 0.913 15.759 -0.505 1.00 0.00 C ATOM 1345 OD1 ASP A 95 -0.001 14.998 -0.887 1.00 0.00 O ATOM 1346 OD2 ASP A 95 0.741 16.975 -0.277 1.00 0.00 O ATOM 0 H ASP A 95 0.564 14.107 1.172 1.00 0.00 H new ATOM 0 HA ASP A 95 2.435 13.110 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.815 15.733 0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.878 15.306 -1.222 1.00 0.00 H new ATOM 1351 N GLY A 96 4.385 12.630 0.605 1.00 0.00 N ATOM 1352 CA GLY A 96 5.423 12.221 1.510 1.00 0.00 C ATOM 1353 C GLY A 96 4.976 10.995 2.265 1.00 0.00 C ATOM 1354 O GLY A 96 5.301 10.827 3.432 1.00 0.00 O ATOM 0 H GLY A 96 4.511 12.338 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.338 12.008 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.651 13.027 2.207 1.00 0.00 H new ATOM 1358 N LEU A 97 4.189 10.159 1.579 1.00 0.00 N ATOM 1359 CA LEU A 97 3.631 8.941 2.164 1.00 0.00 C ATOM 1360 C LEU A 97 4.691 7.928 2.547 1.00 0.00 C ATOM 1361 O LEU A 97 5.776 7.879 1.976 1.00 0.00 O ATOM 1362 CB LEU A 97 2.681 8.247 1.187 1.00 0.00 C ATOM 1363 CG LEU A 97 1.285 8.835 1.055 1.00 0.00 C ATOM 1364 CD1 LEU A 97 0.851 8.747 -0.399 1.00 0.00 C ATOM 1365 CD2 LEU A 97 0.315 8.090 1.962 1.00 0.00 C ATOM 0 H LEU A 97 3.923 10.309 0.606 1.00 0.00 H new ATOM 0 HA LEU A 97 3.106 9.271 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.146 8.250 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.583 7.205 1.490 1.00 0.00 H new ATOM 0 HG LEU A 97 1.290 9.881 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.150 9.166 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.548 9.308 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.843 7.703 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.682 8.519 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.288 7.038 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.644 8.179 2.997 1.00 0.00 H new ATOM 1377 N ILE A 98 4.334 7.092 3.502 1.00 0.00 N ATOM 1378 CA ILE A 98 5.214 6.028 3.959 1.00 0.00 C ATOM 1379 C ILE A 98 4.493 4.699 3.877 1.00 0.00 C ATOM 1380 O ILE A 98 3.492 4.483 4.560 1.00 0.00 O ATOM 1381 CB ILE A 98 5.719 6.217 5.401 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.373 7.580 5.573 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.690 5.108 5.776 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.446 8.698 5.202 1.00 0.00 C ATOM 0 H ILE A 98 3.434 7.128 3.981 1.00 0.00 H new ATOM 0 HA ILE A 98 6.084 6.055 3.303 1.00 0.00 H new ATOM 0 HB ILE A 98 4.860 6.166 6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.691 7.701 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.270 7.632 4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.036 5.258 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.187 4.144 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.543 5.126 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.954 9.653 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.148 8.593 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.561 8.663 5.837 1.00 0.00 H new ATOM 1396 N VAL A 99 4.989 3.816 3.031 1.00 0.00 N ATOM 1397 CA VAL A 99 4.370 2.529 2.861 1.00 0.00 C ATOM 1398 C VAL A 99 5.016 1.449 3.717 1.00 0.00 C ATOM 1399 O VAL A 99 5.941 1.717 4.479 1.00 0.00 O ATOM 1400 CB VAL A 99 4.350 2.092 1.405 1.00 0.00 C ATOM 1401 CG1 VAL A 99 3.056 1.363 1.157 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.474 3.289 0.481 1.00 0.00 C ATOM 0 H VAL A 99 5.817 3.972 2.455 1.00 0.00 H new ATOM 0 HA VAL A 99 3.341 2.654 3.200 1.00 0.00 H new ATOM 0 HB VAL A 99 5.196 1.436 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.015 1.038 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.997 0.494 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.218 2.029 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.457 2.952 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.641 3.970 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.413 3.806 0.679 1.00 0.00 H new ATOM 1412 N ARG A 100 4.504 0.227 3.595 1.00 0.00 N ATOM 1413 CA ARG A 100 5.014 -0.908 4.363 1.00 0.00 C ATOM 1414 C ARG A 100 4.500 -2.231 3.798 1.00 0.00 C ATOM 1415 O ARG A 100 3.410 -2.290 3.228 1.00 0.00 O ATOM 1416 CB ARG A 100 4.596 -0.785 5.831 1.00 0.00 C ATOM 1417 CG ARG A 100 5.684 -0.228 6.733 1.00 0.00 C ATOM 1418 CD ARG A 100 5.113 0.277 8.049 1.00 0.00 C ATOM 1419 NE ARG A 100 5.974 -0.052 9.182 1.00 0.00 N ATOM 1420 CZ ARG A 100 5.614 0.111 10.452 1.00 0.00 C ATOM 1421 NH1 ARG A 100 4.419 0.605 10.745 1.00 0.00 N ATOM 1422 NH2 ARG A 100 6.449 -0.218 11.429 1.00 0.00 N ATOM 0 H ARG A 100 3.733 -0.004 2.969 1.00 0.00 H new ATOM 0 HA ARG A 100 6.102 -0.897 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.718 -0.142 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.300 -1.768 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.426 -1.002 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.200 0.586 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.981 1.358 7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.126 -0.157 8.206 1.00 0.00 H new ATOM 0 HE ARG A 100 6.902 -0.427 8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.775 0.860 9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.144 0.730 11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.370 -0.597 11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.170 -0.092 12.402 1.00 0.00 H new ATOM 1436 N VAL A 101 5.285 -3.292 3.970 1.00 0.00 N ATOM 1437 CA VAL A 101 4.901 -4.614 3.487 1.00 0.00 C ATOM 1438 C VAL A 101 4.745 -5.593 4.647 1.00 0.00 C ATOM 1439 O VAL A 101 5.601 -5.666 5.529 1.00 0.00 O ATOM 1440 CB VAL A 101 5.934 -5.176 2.494 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.502 -6.548 1.996 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.136 -4.216 1.331 1.00 0.00 C ATOM 0 H VAL A 101 6.190 -3.261 4.440 1.00 0.00 H new ATOM 0 HA VAL A 101 3.946 -4.499 2.975 1.00 0.00 H new ATOM 0 HB VAL A 101 6.887 -5.286 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.244 -6.931 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.415 -7.231 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.537 -6.466 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.870 -4.631 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.189 -4.070 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.494 -3.258 1.708 1.00 0.00 H new ATOM 1452 N PRO A 102 3.645 -6.360 4.659 1.00 0.00 N ATOM 1453 CA PRO A 102 3.373 -7.340 5.715 1.00 0.00 C ATOM 1454 C PRO A 102 4.263 -8.572 5.611 1.00 0.00 C ATOM 1455 O PRO A 102 5.128 -8.657 4.740 1.00 0.00 O ATOM 1456 CB PRO A 102 1.912 -7.717 5.473 1.00 0.00 C ATOM 1457 CG PRO A 102 1.715 -7.511 4.013 1.00 0.00 C ATOM 1458 CD PRO A 102 2.577 -6.333 3.643 1.00 0.00 C ATOM 0 HA PRO A 102 3.568 -6.934 6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.715 -8.750 5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.238 -7.091 6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.004 -8.399 3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.667 -7.316 3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.979 -6.430 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.016 -5.399 3.674 1.00 0.00 H new ATOM 1466 N LEU A 103 4.043 -9.523 6.510 1.00 0.00 N ATOM 1467 CA LEU A 103 4.822 -10.756 6.531 1.00 0.00 C ATOM 1468 C LEU A 103 4.326 -11.734 5.471 1.00 0.00 C ATOM 1469 O LEU A 103 3.363 -11.458 4.756 1.00 0.00 O ATOM 1470 CB LEU A 103 4.750 -11.404 7.920 1.00 0.00 C ATOM 1471 CG LEU A 103 3.751 -12.559 8.053 1.00 0.00 C ATOM 1472 CD1 LEU A 103 3.880 -13.226 9.413 1.00 0.00 C ATOM 1473 CD2 LEU A 103 2.330 -12.062 7.829 1.00 0.00 C ATOM 0 H LEU A 103 3.329 -9.464 7.237 1.00 0.00 H new ATOM 0 HA LEU A 103 5.859 -10.506 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.742 -11.771 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.491 -10.636 8.648 1.00 0.00 H new ATOM 0 HG LEU A 103 3.979 -13.301 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.162 -14.043 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.890 -13.618 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.680 -12.495 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.634 -12.895 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.090 -11.299 8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.247 -11.635 6.829 1.00 0.00 H new ATOM 1485 N PRO A 104 4.983 -12.898 5.365 1.00 0.00 N ATOM 1486 CA PRO A 104 4.611 -13.933 4.396 1.00 0.00 C ATOM 1487 C PRO A 104 3.136 -14.308 4.498 1.00 0.00 C ATOM 1488 O PRO A 104 2.761 -15.184 5.277 1.00 0.00 O ATOM 1489 CB PRO A 104 5.493 -15.121 4.788 1.00 0.00 C ATOM 1490 CG PRO A 104 6.665 -14.512 5.478 1.00 0.00 C ATOM 1491 CD PRO A 104 6.137 -13.296 6.188 1.00 0.00 C ATOM 0 HA PRO A 104 4.754 -13.603 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.961 -15.809 5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.802 -15.691 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.111 -15.213 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 104 7.442 -14.241 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.841 -13.525 7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.885 -12.505 6.241 1.00 0.00 H new ATOM 1499 N ALA A 105 2.303 -13.637 3.709 1.00 0.00 N ATOM 1500 CA ALA A 105 0.869 -13.899 3.716 1.00 0.00 C ATOM 1501 C ALA A 105 0.357 -14.197 2.311 1.00 0.00 C ATOM 1502 O ALA A 105 -0.202 -15.295 2.106 1.00 0.00 O ATOM 1503 CB ALA A 105 0.123 -12.716 4.313 1.00 0.00 C ATOM 1504 OXT ALA A 105 0.515 -13.329 1.428 1.00 0.00 O ATOM 0 H ALA A 105 2.596 -12.909 3.058 1.00 0.00 H new ATOM 0 HA ALA A 105 0.687 -14.779 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.947 -12.923 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.461 -12.552 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.320 -11.824 3.718 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -4.964 -6.844 -7.937 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -4.447 -4.931 -6.156 1.00 0.00 FE HETATM 1513 S1 FES A 106 -6.404 -5.814 -6.631 1.00 0.00 S HETATM 1514 S2 FES A 106 -3.031 -5.861 -7.558 1.00 0.00 S