USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 150:sc= 0.848 (180deg=0.415) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 70:sc= -1.66 USER MOD Single : A 38 MET CE :methyl 173:sc= 0 (180deg=-0.0325) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 55:sc= -0.728 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.539 USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= 0.0886 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 61 TYR OH : rot 165:sc= -1.62! USER MOD Single : A 64 GLN : amide:sc=-0.000653 X(o=-0.00065,f=-0.055) USER MOD Single : A 66 HIS : no HD1:sc= 0.216 K(o=0.22,f=-1.4!) USER MOD Single : A 70 HIS : +bothHN:sc= -0.343 K(o=-0.34,f=-4.7!) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0994 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N PHE A 18 -8.118 9.096 3.900 1.00 0.00 N ATOM 28 CA PHE A 18 -7.173 8.947 2.798 1.00 0.00 C ATOM 29 C PHE A 18 -7.113 7.499 2.327 1.00 0.00 C ATOM 30 O PHE A 18 -7.453 6.580 3.072 1.00 0.00 O ATOM 31 CB PHE A 18 -5.781 9.414 3.227 1.00 0.00 C ATOM 32 CG PHE A 18 -5.071 10.221 2.178 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.479 9.600 1.090 1.00 0.00 C ATOM 34 CD2 PHE A 18 -4.994 11.601 2.282 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.826 10.341 0.123 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.340 12.346 1.320 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.757 11.715 0.239 1.00 0.00 C ATOM 0 HA PHE A 18 -7.517 9.566 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.870 10.011 4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.175 8.543 3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.528 8.525 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.450 12.099 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.371 9.846 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.285 13.421 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.247 12.296 -0.515 1.00 0.00 H new ATOM 47 N LYS A 19 -6.677 7.301 1.088 1.00 0.00 N ATOM 48 CA LYS A 19 -6.570 5.962 0.525 1.00 0.00 C ATOM 49 C LYS A 19 -5.643 5.949 -0.685 1.00 0.00 C ATOM 50 O LYS A 19 -5.887 6.635 -1.679 1.00 0.00 O ATOM 51 CB LYS A 19 -7.953 5.441 0.129 1.00 0.00 C ATOM 52 CG LYS A 19 -8.153 3.962 0.419 1.00 0.00 C ATOM 53 CD LYS A 19 -9.625 3.581 0.381 1.00 0.00 C ATOM 54 CE LYS A 19 -10.308 3.872 1.707 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.788 3.953 1.564 1.00 0.00 N ATOM 0 H LYS A 19 -6.393 8.050 0.456 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.147 5.309 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.713 6.013 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.108 5.618 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.604 3.369 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.739 3.723 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.124 4.132 -0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.722 2.521 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.055 3.092 2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.930 4.811 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.216 4.153 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.031 4.715 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.152 3.048 1.203 1.00 0.00 H new ATOM 69 N VAL A 20 -4.580 5.158 -0.596 1.00 0.00 N ATOM 70 CA VAL A 20 -3.617 5.046 -1.684 1.00 0.00 C ATOM 71 C VAL A 20 -3.292 3.586 -1.975 1.00 0.00 C ATOM 72 O VAL A 20 -3.210 2.764 -1.062 1.00 0.00 O ATOM 73 CB VAL A 20 -2.311 5.796 -1.365 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.502 7.296 -1.528 1.00 0.00 C ATOM 75 CG2 VAL A 20 -1.832 5.462 0.040 1.00 0.00 C ATOM 0 H VAL A 20 -4.363 4.584 0.219 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.078 5.499 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.547 5.472 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.568 7.809 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.794 7.516 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.281 7.640 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.908 6.001 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.593 5.755 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.651 4.390 0.118 1.00 0.00 H new ATOM 85 N THR A 21 -3.111 3.268 -3.252 1.00 0.00 N ATOM 86 CA THR A 21 -2.798 1.904 -3.659 1.00 0.00 C ATOM 87 C THR A 21 -1.307 1.744 -3.933 1.00 0.00 C ATOM 88 O THR A 21 -0.754 2.395 -4.819 1.00 0.00 O ATOM 89 CB THR A 21 -3.599 1.522 -4.905 1.00 0.00 C ATOM 90 OG1 THR A 21 -4.956 1.901 -4.765 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.566 0.037 -5.204 1.00 0.00 C ATOM 0 H THR A 21 -3.176 3.935 -4.021 1.00 0.00 H new ATOM 0 HA THR A 21 -3.072 1.239 -2.840 1.00 0.00 H new ATOM 0 HB THR A 21 -3.124 2.054 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.451 1.650 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.153 -0.167 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.535 -0.279 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.986 -0.513 -4.362 1.00 0.00 H new ATOM 99 N VAL A 22 -0.664 0.869 -3.166 1.00 0.00 N ATOM 100 CA VAL A 22 0.762 0.616 -3.326 1.00 0.00 C ATOM 101 C VAL A 22 0.998 -0.630 -4.171 1.00 0.00 C ATOM 102 O VAL A 22 0.731 -1.749 -3.732 1.00 0.00 O ATOM 103 CB VAL A 22 1.455 0.440 -1.961 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.963 0.326 -2.136 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.106 1.594 -1.033 1.00 0.00 C ATOM 0 H VAL A 22 -1.109 0.324 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 22 1.190 1.483 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 22 1.094 -0.484 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.434 0.202 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.192 -0.536 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.344 1.230 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.604 1.453 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.436 2.532 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.027 1.625 -0.880 1.00 0.00 H new ATOM 115 N CYS A 23 1.491 -0.429 -5.387 1.00 0.00 N ATOM 116 CA CYS A 23 1.755 -1.538 -6.296 1.00 0.00 C ATOM 117 C CYS A 23 3.160 -2.092 -6.092 1.00 0.00 C ATOM 118 O CYS A 23 4.141 -1.518 -6.566 1.00 0.00 O ATOM 119 CB CYS A 23 1.580 -1.087 -7.747 1.00 0.00 C ATOM 120 SG CYS A 23 1.178 -2.426 -8.893 1.00 0.00 S ATOM 0 H CYS A 23 1.716 0.491 -5.766 1.00 0.00 H new ATOM 0 HA CYS A 23 1.038 -2.330 -6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.790 -0.337 -7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.498 -0.603 -8.079 1.00 0.00 H new ATOM 0 HG CYS A 23 1.048 -1.945 -10.094 1.00 0.00 H new ATOM 126 N PHE A 24 3.251 -3.218 -5.392 1.00 0.00 N ATOM 127 CA PHE A 24 4.534 -3.857 -5.133 1.00 0.00 C ATOM 128 C PHE A 24 4.928 -4.749 -6.302 1.00 0.00 C ATOM 129 O PHE A 24 4.465 -5.884 -6.413 1.00 0.00 O ATOM 130 CB PHE A 24 4.470 -4.686 -3.850 1.00 0.00 C ATOM 131 CG PHE A 24 4.454 -3.857 -2.599 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.576 -3.142 -2.209 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.317 -3.794 -1.811 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.562 -2.380 -1.057 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.297 -3.033 -0.658 1.00 0.00 C ATOM 136 CZ PHE A 24 4.422 -2.327 -0.280 1.00 0.00 C ATOM 0 H PHE A 24 2.449 -3.707 -4.994 1.00 0.00 H new ATOM 0 HA PHE A 24 5.285 -3.077 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.576 -5.309 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.327 -5.359 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.471 -3.181 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.435 -4.346 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.442 -1.826 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.403 -2.990 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.410 -1.734 0.623 1.00 0.00 H new ATOM 146 N GLY A 25 5.785 -4.229 -7.178 1.00 0.00 N ATOM 147 CA GLY A 25 6.221 -4.995 -8.332 1.00 0.00 C ATOM 148 C GLY A 25 5.059 -5.456 -9.190 1.00 0.00 C ATOM 149 O GLY A 25 4.692 -4.792 -10.160 1.00 0.00 O ATOM 0 H GLY A 25 6.184 -3.293 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.896 -4.387 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.788 -5.863 -7.996 1.00 0.00 H new ATOM 153 N ARG A 26 4.472 -6.593 -8.829 1.00 0.00 N ATOM 154 CA ARG A 26 3.341 -7.141 -9.565 1.00 0.00 C ATOM 155 C ARG A 26 2.191 -7.476 -8.618 1.00 0.00 C ATOM 156 O ARG A 26 1.428 -8.411 -8.857 1.00 0.00 O ATOM 157 CB ARG A 26 3.763 -8.393 -10.338 1.00 0.00 C ATOM 158 CG ARG A 26 4.429 -8.088 -11.669 1.00 0.00 C ATOM 159 CD ARG A 26 3.404 -7.811 -12.755 1.00 0.00 C ATOM 160 NE ARG A 26 3.038 -6.397 -12.814 1.00 0.00 N ATOM 161 CZ ARG A 26 1.955 -5.937 -13.437 1.00 0.00 C ATOM 162 NH1 ARG A 26 1.128 -6.775 -14.052 1.00 0.00 N ATOM 163 NH2 ARG A 26 1.694 -4.637 -13.442 1.00 0.00 N ATOM 0 H ARG A 26 4.763 -7.153 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 26 3.000 -6.386 -10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.448 -8.976 -9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.885 -9.015 -10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.086 -7.225 -11.559 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.055 -8.930 -11.965 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.805 -8.122 -13.720 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.511 -8.409 -12.572 1.00 0.00 H new ATOM 0 HE ARG A 26 3.648 -5.723 -12.351 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.321 -7.777 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.300 -6.417 -14.528 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.323 -3.989 -12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.864 -4.285 -13.920 1.00 0.00 H new ATOM 177 N THR A 27 2.078 -6.705 -7.540 1.00 0.00 N ATOM 178 CA THR A 27 1.026 -6.917 -6.550 1.00 0.00 C ATOM 179 C THR A 27 0.434 -5.585 -6.096 1.00 0.00 C ATOM 180 O THR A 27 1.141 -4.582 -5.998 1.00 0.00 O ATOM 181 CB THR A 27 1.577 -7.680 -5.344 1.00 0.00 C ATOM 182 OG1 THR A 27 2.123 -8.925 -5.746 1.00 0.00 O ATOM 183 CG2 THR A 27 0.532 -7.961 -4.283 1.00 0.00 C ATOM 0 H THR A 27 2.703 -5.927 -7.330 1.00 0.00 H new ATOM 0 HA THR A 27 0.237 -7.508 -7.014 1.00 0.00 H new ATOM 0 HB THR A 27 2.341 -7.031 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.472 -9.398 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.990 -8.504 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.124 -7.019 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.270 -8.562 -4.712 1.00 0.00 H new ATOM 191 N ARG A 28 -0.867 -5.582 -5.822 1.00 0.00 N ATOM 192 CA ARG A 28 -1.552 -4.373 -5.379 1.00 0.00 C ATOM 193 C ARG A 28 -1.870 -4.439 -3.888 1.00 0.00 C ATOM 194 O ARG A 28 -2.289 -5.477 -3.379 1.00 0.00 O ATOM 195 CB ARG A 28 -2.840 -4.170 -6.178 1.00 0.00 C ATOM 196 CG ARG A 28 -2.648 -3.349 -7.444 1.00 0.00 C ATOM 197 CD ARG A 28 -3.903 -3.351 -8.302 1.00 0.00 C ATOM 198 NE ARG A 28 -3.590 -3.320 -9.729 1.00 0.00 N ATOM 199 CZ ARG A 28 -4.449 -3.672 -10.682 1.00 0.00 C ATOM 200 NH1 ARG A 28 -5.673 -4.080 -10.368 1.00 0.00 N ATOM 201 NH2 ARG A 28 -4.085 -3.617 -11.957 1.00 0.00 N ATOM 0 H ARG A 28 -1.468 -6.403 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.887 -3.527 -5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.249 -5.144 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.577 -3.678 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.388 -2.324 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.813 -3.751 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.493 -4.240 -8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.518 -2.488 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.660 -3.011 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.960 -4.125 -9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.326 -4.348 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.147 -3.305 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.744 -3.887 -12.688 1.00 0.00 H new ATOM 215 N VAL A 29 -1.669 -3.322 -3.196 1.00 0.00 N ATOM 216 CA VAL A 29 -1.934 -3.250 -1.763 1.00 0.00 C ATOM 217 C VAL A 29 -2.468 -1.876 -1.374 1.00 0.00 C ATOM 218 O VAL A 29 -1.729 -0.891 -1.369 1.00 0.00 O ATOM 219 CB VAL A 29 -0.667 -3.548 -0.941 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.004 -3.664 0.538 1.00 0.00 C ATOM 221 CG2 VAL A 29 0.009 -4.815 -1.442 1.00 0.00 C ATOM 0 H VAL A 29 -1.323 -2.454 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.686 -4.007 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 29 0.029 -2.718 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.096 -3.875 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.439 -2.727 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.719 -4.473 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.903 -5.009 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.679 -5.656 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.288 -4.689 -2.488 1.00 0.00 H new ATOM 231 N ASP A 30 -3.755 -1.815 -1.047 1.00 0.00 N ATOM 232 CA ASP A 30 -4.385 -0.558 -0.658 1.00 0.00 C ATOM 233 C ASP A 30 -3.974 -0.155 0.754 1.00 0.00 C ATOM 234 O ASP A 30 -3.712 -1.008 1.602 1.00 0.00 O ATOM 235 CB ASP A 30 -5.908 -0.680 -0.743 1.00 0.00 C ATOM 236 CG ASP A 30 -6.597 0.671 -0.735 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.628 1.328 -1.796 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.104 1.072 0.334 1.00 0.00 O ATOM 0 H ASP A 30 -4.381 -2.620 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.049 0.216 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.177 -1.217 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.270 -1.274 0.096 1.00 0.00 H new ATOM 243 N VAL A 31 -3.917 1.151 0.998 1.00 0.00 N ATOM 244 CA VAL A 31 -3.535 1.669 2.305 1.00 0.00 C ATOM 245 C VAL A 31 -4.367 2.894 2.682 1.00 0.00 C ATOM 246 O VAL A 31 -4.031 4.018 2.311 1.00 0.00 O ATOM 247 CB VAL A 31 -2.042 2.047 2.345 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.613 2.386 3.764 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.191 0.924 1.776 1.00 0.00 C ATOM 0 H VAL A 31 -4.131 1.869 0.306 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.722 0.872 3.025 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.894 2.932 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.556 2.650 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.200 3.228 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.776 1.523 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.140 1.210 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.342 0.019 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.480 0.737 0.742 1.00 0.00 H new ATOM 259 N PRO A 32 -5.469 2.691 3.425 1.00 0.00 N ATOM 260 CA PRO A 32 -6.346 3.781 3.849 1.00 0.00 C ATOM 261 C PRO A 32 -5.852 4.463 5.121 1.00 0.00 C ATOM 262 O PRO A 32 -5.562 3.800 6.118 1.00 0.00 O ATOM 263 CB PRO A 32 -7.666 3.062 4.108 1.00 0.00 C ATOM 264 CG PRO A 32 -7.264 1.707 4.584 1.00 0.00 C ATOM 265 CD PRO A 32 -5.952 1.383 3.910 1.00 0.00 C ATOM 0 HA PRO A 32 -6.406 4.579 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.263 3.585 4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.270 3.002 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.156 1.694 5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.023 0.967 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.246 0.930 4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.088 0.678 3.090 1.00 0.00 H new ATOM 273 N CYS A 33 -5.757 5.788 5.081 1.00 0.00 N ATOM 274 CA CYS A 33 -5.296 6.554 6.234 1.00 0.00 C ATOM 275 C CYS A 33 -6.477 7.150 6.995 1.00 0.00 C ATOM 276 O CYS A 33 -7.443 7.620 6.395 1.00 0.00 O ATOM 277 CB CYS A 33 -4.344 7.668 5.794 1.00 0.00 C ATOM 278 SG CYS A 33 -3.147 7.166 4.535 1.00 0.00 S ATOM 0 H CYS A 33 -5.992 6.353 4.265 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.761 5.874 6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.931 8.502 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.804 8.035 6.667 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.762 6.963 3.408 1.00 0.00 H new ATOM 284 N GLY A 34 -6.390 7.126 8.321 1.00 0.00 N ATOM 285 CA GLY A 34 -7.458 7.666 9.144 1.00 0.00 C ATOM 286 C GLY A 34 -7.680 9.147 8.911 1.00 0.00 C ATOM 287 O GLY A 34 -8.807 9.584 8.682 1.00 0.00 O ATOM 0 H GLY A 34 -5.600 6.743 8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.382 7.126 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.222 7.498 10.195 1.00 0.00 H new ATOM 291 N ASP A 35 -6.603 9.923 8.974 1.00 0.00 N ATOM 292 CA ASP A 35 -6.686 11.366 8.772 1.00 0.00 C ATOM 293 C ASP A 35 -5.987 11.780 7.481 1.00 0.00 C ATOM 294 O ASP A 35 -6.364 12.765 6.848 1.00 0.00 O ATOM 295 CB ASP A 35 -6.066 12.104 9.958 1.00 0.00 C ATOM 296 CG ASP A 35 -6.692 11.705 11.281 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.932 11.565 11.332 1.00 0.00 O ATOM 298 OD2 ASP A 35 -5.943 11.533 12.265 1.00 0.00 O ATOM 0 H ASP A 35 -5.662 9.577 9.163 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.740 11.634 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.996 11.900 9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.182 13.178 9.814 1.00 0.00 H new ATOM 303 N GLY A 36 -4.962 11.023 7.098 1.00 0.00 N ATOM 304 CA GLY A 36 -4.226 11.332 5.886 1.00 0.00 C ATOM 305 C GLY A 36 -3.005 12.194 6.151 1.00 0.00 C ATOM 306 O GLY A 36 -2.424 12.757 5.224 1.00 0.00 O ATOM 0 H GLY A 36 -4.629 10.203 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.914 10.404 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.885 11.846 5.186 1.00 0.00 H new ATOM 310 N ARG A 37 -2.615 12.295 7.419 1.00 0.00 N ATOM 311 CA ARG A 37 -1.456 13.092 7.801 1.00 0.00 C ATOM 312 C ARG A 37 -0.268 12.194 8.130 1.00 0.00 C ATOM 313 O ARG A 37 0.518 12.491 9.028 1.00 0.00 O ATOM 314 CB ARG A 37 -1.793 13.970 9.006 1.00 0.00 C ATOM 315 CG ARG A 37 -2.486 15.272 8.637 1.00 0.00 C ATOM 316 CD ARG A 37 -3.665 15.561 9.552 1.00 0.00 C ATOM 317 NE ARG A 37 -3.341 16.568 10.563 1.00 0.00 N ATOM 318 CZ ARG A 37 -2.788 16.287 11.743 1.00 0.00 C ATOM 319 NH1 ARG A 37 -2.493 15.035 12.067 1.00 0.00 N ATOM 320 NH2 ARG A 37 -2.529 17.266 12.599 1.00 0.00 N ATOM 0 H ARG A 37 -3.085 11.834 8.198 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.187 13.729 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.433 13.408 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.875 14.198 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.772 16.093 8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.831 15.221 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.511 15.905 8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.976 14.640 10.045 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.551 17.544 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.689 14.279 11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.070 14.829 12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.753 18.230 12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.106 17.055 13.503 1.00 0.00 H new ATOM 334 N MET A 38 -0.145 11.093 7.395 1.00 0.00 N ATOM 335 CA MET A 38 0.945 10.151 7.609 1.00 0.00 C ATOM 336 C MET A 38 2.007 10.290 6.525 1.00 0.00 C ATOM 337 O MET A 38 1.689 10.429 5.344 1.00 0.00 O ATOM 338 CB MET A 38 0.412 8.716 7.628 1.00 0.00 C ATOM 339 CG MET A 38 1.371 7.718 8.253 1.00 0.00 C ATOM 340 SD MET A 38 0.525 6.464 9.235 1.00 0.00 S ATOM 341 CE MET A 38 -0.470 5.668 7.978 1.00 0.00 C ATOM 0 H MET A 38 -0.787 10.832 6.647 1.00 0.00 H new ATOM 0 HA MET A 38 1.400 10.378 8.573 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.530 8.695 8.177 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.193 8.405 6.606 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.946 7.231 7.466 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.082 8.250 8.885 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.958 4.790 8.402 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.226 6.365 7.617 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.168 5.363 7.148 1.00 0.00 H new ATOM 351 N LYS A 39 3.269 10.249 6.935 1.00 0.00 N ATOM 352 CA LYS A 39 4.378 10.368 5.997 1.00 0.00 C ATOM 353 C LYS A 39 4.473 9.123 5.120 1.00 0.00 C ATOM 354 O LYS A 39 4.110 8.023 5.541 1.00 0.00 O ATOM 355 CB LYS A 39 5.692 10.577 6.752 1.00 0.00 C ATOM 356 CG LYS A 39 5.855 11.982 7.312 1.00 0.00 C ATOM 357 CD LYS A 39 7.297 12.262 7.704 1.00 0.00 C ATOM 358 CE LYS A 39 7.377 13.096 8.972 1.00 0.00 C ATOM 359 NZ LYS A 39 7.118 14.537 8.707 1.00 0.00 N ATOM 0 H LYS A 39 3.549 10.134 7.909 1.00 0.00 H new ATOM 0 HA LYS A 39 4.196 11.232 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.749 9.860 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.525 10.363 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.531 12.711 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.210 12.105 8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.824 11.320 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.801 12.784 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.653 12.725 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.364 12.981 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.182 15.071 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.824 14.899 8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.166 14.650 8.303 1.00 0.00 H new ATOM 373 N VAL A 40 4.963 9.301 3.897 1.00 0.00 N ATOM 374 CA VAL A 40 5.104 8.188 2.965 1.00 0.00 C ATOM 375 C VAL A 40 5.797 7.004 3.630 1.00 0.00 C ATOM 376 O VAL A 40 5.397 5.856 3.447 1.00 0.00 O ATOM 377 CB VAL A 40 5.899 8.598 1.707 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.952 7.452 0.707 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.294 9.843 1.072 1.00 0.00 C ATOM 0 H VAL A 40 5.268 10.202 3.529 1.00 0.00 H new ATOM 0 HA VAL A 40 4.097 7.897 2.665 1.00 0.00 H new ATOM 0 HB VAL A 40 6.920 8.832 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.517 7.762 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.438 6.591 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.939 7.181 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.869 10.116 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.262 9.641 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.318 10.665 1.788 1.00 0.00 H new ATOM 389 N PHE A 41 6.837 7.292 4.408 1.00 0.00 N ATOM 390 CA PHE A 41 7.590 6.251 5.103 1.00 0.00 C ATOM 391 C PHE A 41 6.663 5.313 5.867 1.00 0.00 C ATOM 392 O PHE A 41 6.839 4.093 5.842 1.00 0.00 O ATOM 393 CB PHE A 41 8.600 6.882 6.066 1.00 0.00 C ATOM 394 CG PHE A 41 9.659 5.925 6.535 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.334 4.862 7.361 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.980 6.093 6.150 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.308 3.980 7.795 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.957 5.215 6.581 1.00 0.00 C ATOM 399 CZ PHE A 41 11.620 4.158 7.403 1.00 0.00 C ATOM 0 H PHE A 41 7.178 8.239 4.573 1.00 0.00 H new ATOM 0 HA PHE A 41 8.123 5.667 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.079 7.729 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.068 7.275 6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.309 4.720 7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.249 6.918 5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.043 3.154 8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.983 5.356 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.382 3.471 7.739 1.00 0.00 H new ATOM 409 N SER A 42 5.675 5.884 6.542 1.00 0.00 N ATOM 410 CA SER A 42 4.721 5.093 7.307 1.00 0.00 C ATOM 411 C SER A 42 3.755 4.370 6.375 1.00 0.00 C ATOM 412 O SER A 42 3.271 3.282 6.687 1.00 0.00 O ATOM 413 CB SER A 42 3.947 5.982 8.283 1.00 0.00 C ATOM 414 OG SER A 42 4.087 7.352 7.946 1.00 0.00 O ATOM 0 H SER A 42 5.513 6.891 6.576 1.00 0.00 H new ATOM 0 HA SER A 42 5.276 4.349 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.892 5.707 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.309 5.815 9.297 1.00 0.00 H new ATOM 0 HG SER A 42 3.813 7.490 7.015 1.00 0.00 H new ATOM 420 N LEU A 43 3.483 4.981 5.224 1.00 0.00 N ATOM 421 CA LEU A 43 2.578 4.389 4.249 1.00 0.00 C ATOM 422 C LEU A 43 3.223 3.181 3.583 1.00 0.00 C ATOM 423 O LEU A 43 2.565 2.169 3.338 1.00 0.00 O ATOM 424 CB LEU A 43 2.182 5.420 3.190 1.00 0.00 C ATOM 425 CG LEU A 43 1.047 4.991 2.259 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.286 5.528 2.761 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.313 5.465 0.838 1.00 0.00 C ATOM 0 H LEU A 43 3.875 5.881 4.947 1.00 0.00 H new ATOM 0 HA LEU A 43 1.681 4.061 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.889 6.341 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.059 5.652 2.585 1.00 0.00 H new ATOM 0 HG LEU A 43 0.999 3.902 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.082 5.213 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.482 5.139 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.250 6.617 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.495 5.150 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.388 6.552 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.247 5.032 0.479 1.00 0.00 H new ATOM 439 N ILE A 44 4.517 3.288 3.300 1.00 0.00 N ATOM 440 CA ILE A 44 5.247 2.200 2.673 1.00 0.00 C ATOM 441 C ILE A 44 5.369 1.016 3.623 1.00 0.00 C ATOM 442 O ILE A 44 5.169 -0.131 3.231 1.00 0.00 O ATOM 443 CB ILE A 44 6.652 2.637 2.227 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.561 3.934 1.416 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.313 1.531 1.419 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.794 4.231 0.588 1.00 0.00 C ATOM 0 H ILE A 44 5.078 4.117 3.496 1.00 0.00 H new ATOM 0 HA ILE A 44 4.680 1.905 1.790 1.00 0.00 H new ATOM 0 HB ILE A 44 7.267 2.826 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.697 3.877 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.385 4.766 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.307 1.852 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.396 0.633 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.710 1.314 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.651 5.165 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.660 4.322 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.960 3.420 -0.121 1.00 0.00 H new ATOM 458 N GLN A 45 5.695 1.306 4.879 1.00 0.00 N ATOM 459 CA GLN A 45 5.838 0.263 5.887 1.00 0.00 C ATOM 460 C GLN A 45 4.524 -0.486 6.078 1.00 0.00 C ATOM 461 O GLN A 45 4.512 -1.704 6.258 1.00 0.00 O ATOM 462 CB GLN A 45 6.294 0.864 7.217 1.00 0.00 C ATOM 463 CG GLN A 45 6.907 -0.154 8.165 1.00 0.00 C ATOM 464 CD GLN A 45 8.399 0.045 8.349 1.00 0.00 C ATOM 465 OE1 GLN A 45 9.185 -0.167 7.425 1.00 0.00 O ATOM 466 NE2 GLN A 45 8.798 0.453 9.548 1.00 0.00 N ATOM 0 H GLN A 45 5.864 2.252 5.221 1.00 0.00 H new ATOM 0 HA GLN A 45 6.594 -0.442 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.023 1.650 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.441 1.335 7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.413 -0.086 9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.722 -1.158 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.112 0.617 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.790 0.603 9.732 1.00 0.00 H new ATOM 475 N GLN A 46 3.417 0.249 6.032 1.00 0.00 N ATOM 476 CA GLN A 46 2.099 -0.352 6.197 1.00 0.00 C ATOM 477 C GLN A 46 1.757 -1.234 4.999 1.00 0.00 C ATOM 478 O GLN A 46 1.229 -2.337 5.155 1.00 0.00 O ATOM 479 CB GLN A 46 1.036 0.738 6.369 1.00 0.00 C ATOM 480 CG GLN A 46 0.347 0.706 7.723 1.00 0.00 C ATOM 481 CD GLN A 46 -0.246 -0.652 8.043 1.00 0.00 C ATOM 482 OE1 GLN A 46 -1.075 -1.173 7.296 1.00 0.00 O ATOM 483 NE2 GLN A 46 0.174 -1.233 9.161 1.00 0.00 N ATOM 0 H GLN A 46 3.407 1.258 5.882 1.00 0.00 H new ATOM 0 HA GLN A 46 2.115 -0.974 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.502 1.714 6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.286 0.629 5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.064 0.977 8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.443 1.457 7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.862 -0.766 9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.192 -2.146 9.430 1.00 0.00 H new ATOM 492 N ALA A 47 2.063 -0.739 3.804 1.00 0.00 N ATOM 493 CA ALA A 47 1.791 -1.477 2.578 1.00 0.00 C ATOM 494 C ALA A 47 2.699 -2.699 2.453 1.00 0.00 C ATOM 495 O ALA A 47 2.257 -3.772 2.042 1.00 0.00 O ATOM 496 CB ALA A 47 1.954 -0.562 1.372 1.00 0.00 C ATOM 0 H ALA A 47 2.500 0.171 3.660 1.00 0.00 H new ATOM 0 HA ALA A 47 0.762 -1.834 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.749 -1.122 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.256 0.272 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.974 -0.179 1.341 1.00 0.00 H new ATOM 502 N VAL A 48 3.968 -2.531 2.815 1.00 0.00 N ATOM 503 CA VAL A 48 4.932 -3.624 2.748 1.00 0.00 C ATOM 504 C VAL A 48 4.473 -4.802 3.603 1.00 0.00 C ATOM 505 O VAL A 48 4.405 -5.938 3.131 1.00 0.00 O ATOM 506 CB VAL A 48 6.333 -3.169 3.212 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.308 -4.337 3.225 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.848 -2.050 2.319 1.00 0.00 C ATOM 0 H VAL A 48 4.352 -1.650 3.157 1.00 0.00 H new ATOM 0 HA VAL A 48 4.994 -3.937 1.706 1.00 0.00 H new ATOM 0 HB VAL A 48 6.249 -2.790 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.287 -3.990 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.946 -5.106 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.390 -4.753 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.836 -1.740 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.912 -2.406 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.165 -1.202 2.368 1.00 0.00 H new ATOM 518 N THR A 49 4.149 -4.522 4.860 1.00 0.00 N ATOM 519 CA THR A 49 3.687 -5.559 5.774 1.00 0.00 C ATOM 520 C THR A 49 2.441 -6.242 5.218 1.00 0.00 C ATOM 521 O THR A 49 2.328 -7.469 5.244 1.00 0.00 O ATOM 522 CB THR A 49 3.386 -4.960 7.150 1.00 0.00 C ATOM 523 OG1 THR A 49 4.529 -4.311 7.674 1.00 0.00 O ATOM 524 CG2 THR A 49 2.935 -5.990 8.164 1.00 0.00 C ATOM 0 H THR A 49 4.198 -3.589 5.268 1.00 0.00 H new ATOM 0 HA THR A 49 4.477 -6.303 5.879 1.00 0.00 H new ATOM 0 HB THR A 49 2.572 -4.254 6.987 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.628 -3.432 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.738 -5.500 9.118 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.025 -6.475 7.810 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.717 -6.738 8.295 1.00 0.00 H new ATOM 532 N ARG A 50 1.512 -5.438 4.711 1.00 0.00 N ATOM 533 CA ARG A 50 0.277 -5.962 4.142 1.00 0.00 C ATOM 534 C ARG A 50 0.566 -6.805 2.904 1.00 0.00 C ATOM 535 O ARG A 50 -0.170 -7.744 2.598 1.00 0.00 O ATOM 536 CB ARG A 50 -0.670 -4.816 3.785 1.00 0.00 C ATOM 537 CG ARG A 50 -1.541 -4.364 4.945 1.00 0.00 C ATOM 538 CD ARG A 50 -2.920 -5.000 4.889 1.00 0.00 C ATOM 539 NE ARG A 50 -3.852 -4.370 5.822 1.00 0.00 N ATOM 540 CZ ARG A 50 -5.174 -4.482 5.737 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.726 -5.198 4.764 1.00 0.00 N ATOM 542 NH2 ARG A 50 -5.949 -3.878 6.627 1.00 0.00 N ATOM 0 H ARG A 50 1.592 -4.421 4.683 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.199 -6.597 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.084 -3.968 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.311 -5.128 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.058 -4.624 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.639 -3.279 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.314 -4.923 3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.839 -6.062 5.119 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.465 -3.812 6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.135 -5.666 4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.741 -5.280 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.531 -3.327 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.963 -3.964 6.562 1.00 0.00 H new ATOM 556 N TYR A 51 1.640 -6.467 2.196 1.00 0.00 N ATOM 557 CA TYR A 51 2.020 -7.198 0.993 1.00 0.00 C ATOM 558 C TYR A 51 2.388 -8.641 1.333 1.00 0.00 C ATOM 559 O TYR A 51 1.789 -9.580 0.812 1.00 0.00 O ATOM 560 CB TYR A 51 3.193 -6.497 0.296 1.00 0.00 C ATOM 561 CG TYR A 51 3.896 -7.349 -0.740 1.00 0.00 C ATOM 562 CD1 TYR A 51 4.857 -8.280 -0.362 1.00 0.00 C ATOM 563 CD2 TYR A 51 3.600 -7.222 -2.091 1.00 0.00 C ATOM 564 CE1 TYR A 51 5.503 -9.059 -1.302 1.00 0.00 C ATOM 565 CE2 TYR A 51 4.244 -7.998 -3.037 1.00 0.00 C ATOM 566 CZ TYR A 51 5.193 -8.915 -2.638 1.00 0.00 C ATOM 567 OH TYR A 51 5.834 -9.688 -3.577 1.00 0.00 O ATOM 0 H TYR A 51 2.261 -5.693 2.434 1.00 0.00 H new ATOM 0 HA TYR A 51 1.167 -7.214 0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.827 -5.589 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.918 -6.189 1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.102 -8.396 0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.856 -6.506 -2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.247 -9.778 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.005 -7.886 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 51 5.499 -9.463 -4.470 1.00 0.00 H new ATOM 577 N ARG A 52 3.373 -8.809 2.212 1.00 0.00 N ATOM 578 CA ARG A 52 3.808 -10.143 2.615 1.00 0.00 C ATOM 579 C ARG A 52 2.650 -10.924 3.227 1.00 0.00 C ATOM 580 O ARG A 52 2.569 -12.144 3.086 1.00 0.00 O ATOM 581 CB ARG A 52 4.971 -10.054 3.607 1.00 0.00 C ATOM 582 CG ARG A 52 4.624 -9.342 4.904 1.00 0.00 C ATOM 583 CD ARG A 52 5.234 -10.045 6.107 1.00 0.00 C ATOM 584 NE ARG A 52 5.549 -9.112 7.186 1.00 0.00 N ATOM 585 CZ ARG A 52 6.655 -8.370 7.228 1.00 0.00 C ATOM 586 NH1 ARG A 52 7.549 -8.443 6.250 1.00 0.00 N ATOM 587 NH2 ARG A 52 6.864 -7.551 8.249 1.00 0.00 N ATOM 0 H ARG A 52 3.881 -8.044 2.656 1.00 0.00 H new ATOM 0 HA ARG A 52 4.151 -10.672 1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.315 -11.062 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.803 -9.535 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.982 -8.313 4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.541 -9.298 5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.541 -10.802 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.142 -10.565 5.801 1.00 0.00 H new ATOM 0 HE ARG A 52 4.883 -9.023 7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.391 -9.070 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.394 -7.873 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.178 -7.489 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.710 -6.983 8.282 1.00 0.00 H new ATOM 601 N LYS A 53 1.753 -10.211 3.900 1.00 0.00 N ATOM 602 CA LYS A 53 0.596 -10.836 4.527 1.00 0.00 C ATOM 603 C LYS A 53 -0.422 -11.274 3.477 1.00 0.00 C ATOM 604 O LYS A 53 -1.180 -12.220 3.690 1.00 0.00 O ATOM 605 CB LYS A 53 -0.057 -9.874 5.519 1.00 0.00 C ATOM 606 CG LYS A 53 0.835 -9.518 6.699 1.00 0.00 C ATOM 607 CD LYS A 53 0.842 -10.622 7.743 1.00 0.00 C ATOM 608 CE LYS A 53 2.219 -10.793 8.366 1.00 0.00 C ATOM 609 NZ LYS A 53 2.522 -12.221 8.662 1.00 0.00 N ATOM 0 H LYS A 53 1.806 -9.200 4.025 1.00 0.00 H new ATOM 0 HA LYS A 53 0.940 -11.720 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.335 -8.959 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.978 -10.321 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.852 -9.341 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.488 -8.589 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.115 -10.392 8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.530 -11.560 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.975 -10.394 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.276 -10.212 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.516 -12.421 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.359 -12.408 9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.903 -12.833 8.092 1.00 0.00 H new ATOM 623 N ALA A 54 -0.437 -10.576 2.344 1.00 0.00 N ATOM 624 CA ALA A 54 -1.364 -10.891 1.264 1.00 0.00 C ATOM 625 C ALA A 54 -0.823 -12.006 0.376 1.00 0.00 C ATOM 626 O ALA A 54 -1.589 -12.782 -0.197 1.00 0.00 O ATOM 627 CB ALA A 54 -1.650 -9.647 0.437 1.00 0.00 C ATOM 0 H ALA A 54 0.183 -9.789 2.152 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.294 -11.242 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.344 -9.896 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.092 -8.880 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.720 -9.272 0.010 1.00 0.00 H new ATOM 633 N VAL A 55 0.500 -12.083 0.262 1.00 0.00 N ATOM 634 CA VAL A 55 1.135 -13.107 -0.560 1.00 0.00 C ATOM 635 C VAL A 55 1.514 -14.334 0.265 1.00 0.00 C ATOM 636 O VAL A 55 2.343 -15.142 -0.154 1.00 0.00 O ATOM 637 CB VAL A 55 2.396 -12.570 -1.269 1.00 0.00 C ATOM 638 CG1 VAL A 55 2.010 -11.743 -2.486 1.00 0.00 C ATOM 639 CG2 VAL A 55 3.251 -11.755 -0.310 1.00 0.00 C ATOM 0 H VAL A 55 1.151 -11.450 0.727 1.00 0.00 H new ATOM 0 HA VAL A 55 0.400 -13.394 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 55 2.988 -13.421 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.911 -11.372 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.448 -12.363 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.394 -10.900 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.134 -11.387 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.673 -10.910 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.559 -12.383 0.526 1.00 0.00 H new ATOM 649 N ALA A 56 0.897 -14.474 1.436 1.00 0.00 N ATOM 650 CA ALA A 56 1.168 -15.608 2.313 1.00 0.00 C ATOM 651 C ALA A 56 2.654 -15.727 2.632 1.00 0.00 C ATOM 652 O ALA A 56 3.158 -16.822 2.881 1.00 0.00 O ATOM 653 CB ALA A 56 0.659 -16.894 1.678 1.00 0.00 C ATOM 0 H ALA A 56 0.207 -13.816 1.798 1.00 0.00 H new ATOM 0 HA ALA A 56 0.641 -15.439 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.866 -17.734 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.416 -16.818 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.161 -17.052 0.724 1.00 0.00 H new ATOM 659 N LYS A 57 3.350 -14.596 2.629 1.00 0.00 N ATOM 660 CA LYS A 57 4.779 -14.580 2.926 1.00 0.00 C ATOM 661 C LYS A 57 5.023 -14.281 4.401 1.00 0.00 C ATOM 662 O LYS A 57 4.091 -14.271 5.205 1.00 0.00 O ATOM 663 CB LYS A 57 5.496 -13.544 2.054 1.00 0.00 C ATOM 664 CG LYS A 57 6.337 -14.157 0.947 1.00 0.00 C ATOM 665 CD LYS A 57 6.457 -13.221 -0.243 1.00 0.00 C ATOM 666 CE LYS A 57 7.708 -13.514 -1.058 1.00 0.00 C ATOM 667 NZ LYS A 57 7.705 -12.795 -2.363 1.00 0.00 N ATOM 0 H LYS A 57 2.950 -13.680 2.425 1.00 0.00 H new ATOM 0 HA LYS A 57 5.182 -15.568 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.755 -12.880 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.136 -12.929 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.331 -14.390 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.890 -15.098 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.576 -13.322 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.482 -12.189 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.589 -13.224 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.782 -14.587 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.684 -12.588 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.253 -13.390 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.177 -11.904 -2.267 1.00 0.00 H new ATOM 681 N ASP A 58 6.281 -14.035 4.747 1.00 0.00 N ATOM 682 CA ASP A 58 6.647 -13.735 6.127 1.00 0.00 C ATOM 683 C ASP A 58 7.998 -13.027 6.186 1.00 0.00 C ATOM 684 O ASP A 58 8.650 -12.829 5.162 1.00 0.00 O ATOM 685 CB ASP A 58 6.686 -15.021 6.955 1.00 0.00 C ATOM 686 CG ASP A 58 5.514 -15.126 7.914 1.00 0.00 C ATOM 687 OD1 ASP A 58 4.978 -14.072 8.312 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.135 -16.263 8.265 1.00 0.00 O ATOM 0 H ASP A 58 7.064 -14.037 4.093 1.00 0.00 H new ATOM 0 HA ASP A 58 5.893 -13.069 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.683 -15.881 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.618 -15.059 7.519 1.00 0.00 H new ATOM 693 N PRO A 59 8.440 -12.632 7.395 1.00 0.00 N ATOM 694 CA PRO A 59 9.721 -11.940 7.583 1.00 0.00 C ATOM 695 C PRO A 59 10.917 -12.782 7.146 1.00 0.00 C ATOM 696 O PRO A 59 12.032 -12.273 7.033 1.00 0.00 O ATOM 697 CB PRO A 59 9.776 -11.678 9.093 1.00 0.00 C ATOM 698 CG PRO A 59 8.368 -11.804 9.565 1.00 0.00 C ATOM 699 CD PRO A 59 7.727 -12.822 8.668 1.00 0.00 C ATOM 0 HA PRO A 59 9.778 -11.035 6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.425 -12.397 9.594 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.175 -10.686 9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.332 -12.122 10.607 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.848 -10.848 9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.850 -13.834 9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.656 -12.649 8.561 1.00 0.00 H new ATOM 707 N ASN A 60 10.684 -14.072 6.904 1.00 0.00 N ATOM 708 CA ASN A 60 11.746 -14.983 6.480 1.00 0.00 C ATOM 709 C ASN A 60 12.613 -14.357 5.390 1.00 0.00 C ATOM 710 O ASN A 60 13.836 -14.301 5.512 1.00 0.00 O ATOM 711 CB ASN A 60 11.146 -16.296 5.976 1.00 0.00 C ATOM 712 CG ASN A 60 10.940 -17.303 7.092 1.00 0.00 C ATOM 713 OD1 ASN A 60 11.670 -18.288 7.198 1.00 0.00 O ATOM 714 ND2 ASN A 60 9.939 -17.059 7.932 1.00 0.00 N ATOM 0 H ASN A 60 9.767 -14.510 6.995 1.00 0.00 H new ATOM 0 HA ASN A 60 12.378 -15.183 7.345 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.191 -16.094 5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.802 -16.726 5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.751 -17.701 8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.359 -16.230 7.807 1.00 0.00 H new ATOM 721 N TYR A 61 11.969 -13.887 4.331 1.00 0.00 N ATOM 722 CA TYR A 61 12.681 -13.261 3.223 1.00 0.00 C ATOM 723 C TYR A 61 12.812 -11.755 3.447 1.00 0.00 C ATOM 724 O TYR A 61 11.948 -11.136 4.067 1.00 0.00 O ATOM 725 CB TYR A 61 11.967 -13.552 1.896 1.00 0.00 C ATOM 726 CG TYR A 61 10.813 -12.620 1.588 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.653 -12.636 2.353 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.886 -11.724 0.528 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.602 -11.785 2.072 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.838 -10.870 0.241 1.00 0.00 C ATOM 731 CZ TYR A 61 8.698 -10.904 1.017 1.00 0.00 C ATOM 732 OH TYR A 61 7.649 -10.057 0.734 1.00 0.00 O ATOM 0 H TYR A 61 10.956 -13.927 4.215 1.00 0.00 H new ATOM 0 HA TYR A 61 13.684 -13.685 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.693 -13.491 1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.596 -14.577 1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.572 -13.325 3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.777 -11.695 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.708 -11.810 2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.911 -10.180 -0.586 1.00 0.00 H new ATOM 0 HH TYR A 61 7.954 -9.350 0.128 1.00 0.00 H new ATOM 742 N TRP A 62 13.897 -11.173 2.946 1.00 0.00 N ATOM 743 CA TRP A 62 14.132 -9.742 3.102 1.00 0.00 C ATOM 744 C TRP A 62 13.319 -8.941 2.092 1.00 0.00 C ATOM 745 O TRP A 62 12.964 -9.447 1.022 1.00 0.00 O ATOM 746 CB TRP A 62 15.624 -9.421 2.950 1.00 0.00 C ATOM 747 CG TRP A 62 16.008 -8.998 1.562 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.773 -9.682 0.408 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.678 -7.789 1.184 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.270 -8.985 -0.665 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.827 -7.819 -0.217 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.168 -6.688 1.889 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.446 -6.789 -0.921 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.779 -5.668 1.189 1.00 0.00 C ATOM 755 CH2 TRP A 62 17.915 -5.724 -0.205 1.00 0.00 C ATOM 0 H TRP A 62 14.625 -11.668 2.430 1.00 0.00 H new ATOM 0 HA TRP A 62 13.811 -9.458 4.104 1.00 0.00 H new ATOM 0 HB2 TRP A 62 15.890 -8.628 3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.206 -10.300 3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.269 -10.635 0.346 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.230 -9.288 -1.638 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.070 -6.636 2.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.552 -6.831 -1.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.159 -4.811 1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.400 -4.910 -0.723 1.00 0.00 H new ATOM 766 N ILE A 63 13.048 -7.686 2.438 1.00 0.00 N ATOM 767 CA ILE A 63 12.295 -6.793 1.569 1.00 0.00 C ATOM 768 C ILE A 63 12.849 -5.373 1.642 1.00 0.00 C ATOM 769 O ILE A 63 12.718 -4.697 2.663 1.00 0.00 O ATOM 770 CB ILE A 63 10.798 -6.771 1.944 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.220 -8.183 1.900 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.020 -5.849 1.014 1.00 0.00 C ATOM 773 CD1 ILE A 63 8.837 -8.291 2.506 1.00 0.00 C ATOM 0 H ILE A 63 13.341 -7.265 3.319 1.00 0.00 H new ATOM 0 HA ILE A 63 12.398 -7.173 0.552 1.00 0.00 H new ATOM 0 HB ILE A 63 10.705 -6.386 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.181 -8.518 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.893 -8.859 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.968 -5.850 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.416 -4.836 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.119 -6.200 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.490 -9.322 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.873 -7.987 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.150 -7.642 1.963 1.00 0.00 H new ATOM 785 N GLN A 64 13.462 -4.926 0.553 1.00 0.00 N ATOM 786 CA GLN A 64 14.033 -3.585 0.489 1.00 0.00 C ATOM 787 C GLN A 64 13.152 -2.665 -0.348 1.00 0.00 C ATOM 788 O GLN A 64 13.132 -2.758 -1.576 1.00 0.00 O ATOM 789 CB GLN A 64 15.445 -3.637 -0.097 1.00 0.00 C ATOM 790 CG GLN A 64 16.497 -2.996 0.794 1.00 0.00 C ATOM 791 CD GLN A 64 16.275 -1.509 0.984 1.00 0.00 C ATOM 792 OE1 GLN A 64 15.629 -1.082 1.940 1.00 0.00 O ATOM 793 NE2 GLN A 64 16.812 -0.710 0.068 1.00 0.00 N ATOM 0 H GLN A 64 13.577 -5.473 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 64 14.086 -3.186 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.717 -4.677 -0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.446 -3.136 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.491 -3.487 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.483 -3.159 0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.340 -1.107 -0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.696 0.301 0.142 1.00 0.00 H new ATOM 802 N VAL A 65 12.424 -1.776 0.320 1.00 0.00 N ATOM 803 CA VAL A 65 11.540 -0.844 -0.368 1.00 0.00 C ATOM 804 C VAL A 65 12.308 0.372 -0.871 1.00 0.00 C ATOM 805 O VAL A 65 12.554 1.317 -0.121 1.00 0.00 O ATOM 806 CB VAL A 65 10.384 -0.365 0.536 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.163 -0.017 -0.305 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.033 -1.416 1.583 1.00 0.00 C ATOM 0 H VAL A 65 12.429 -1.682 1.336 1.00 0.00 H new ATOM 0 HA VAL A 65 11.120 -1.389 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 65 10.713 0.532 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.356 0.319 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.418 0.778 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.839 -0.898 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.216 -1.051 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.728 -2.337 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.904 -1.613 2.207 1.00 0.00 H new ATOM 818 N HIS A 66 12.684 0.343 -2.146 1.00 0.00 N ATOM 819 CA HIS A 66 13.425 1.444 -2.753 1.00 0.00 C ATOM 820 C HIS A 66 12.702 2.773 -2.548 1.00 0.00 C ATOM 821 O HIS A 66 13.099 3.585 -1.712 1.00 0.00 O ATOM 822 CB HIS A 66 13.632 1.188 -4.248 1.00 0.00 C ATOM 823 CG HIS A 66 14.722 0.205 -4.542 1.00 0.00 C ATOM 824 ND1 HIS A 66 16.043 0.570 -4.702 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.683 -1.138 -4.705 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.769 -0.506 -4.952 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.968 -1.555 -4.958 1.00 0.00 N ATOM 0 H HIS A 66 12.488 -0.432 -2.780 1.00 0.00 H new ATOM 0 HA HIS A 66 14.397 1.503 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.699 0.823 -4.678 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.863 2.132 -4.741 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.806 -1.765 -4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.835 -0.524 -5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.256 -2.519 -5.124 1.00 0.00 H new ATOM 836 N ARG A 67 11.642 2.988 -3.319 1.00 0.00 N ATOM 837 CA ARG A 67 10.864 4.219 -3.225 1.00 0.00 C ATOM 838 C ARG A 67 9.469 4.031 -3.817 1.00 0.00 C ATOM 839 O ARG A 67 9.108 2.934 -4.242 1.00 0.00 O ATOM 840 CB ARG A 67 11.587 5.360 -3.943 1.00 0.00 C ATOM 841 CG ARG A 67 11.951 5.038 -5.383 1.00 0.00 C ATOM 842 CD ARG A 67 13.297 5.633 -5.766 1.00 0.00 C ATOM 843 NE ARG A 67 13.414 5.842 -7.206 1.00 0.00 N ATOM 844 CZ ARG A 67 13.656 4.868 -8.080 1.00 0.00 C ATOM 845 NH1 ARG A 67 13.807 3.617 -7.664 1.00 0.00 N ATOM 846 NH2 ARG A 67 13.748 5.143 -9.374 1.00 0.00 N ATOM 0 H ARG A 67 11.301 2.326 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 67 10.758 4.472 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.954 6.247 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.496 5.606 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.978 3.957 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.179 5.424 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.433 6.583 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.095 4.971 -5.430 1.00 0.00 H new ATOM 0 HE ARG A 67 13.304 6.791 -7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.738 3.398 -6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.992 2.874 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.633 6.102 -9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.934 4.395 -10.042 1.00 0.00 H new ATOM 860 N LEU A 68 8.690 5.110 -3.842 1.00 0.00 N ATOM 861 CA LEU A 68 7.335 5.062 -4.382 1.00 0.00 C ATOM 862 C LEU A 68 7.199 5.979 -5.594 1.00 0.00 C ATOM 863 O LEU A 68 8.009 6.884 -5.793 1.00 0.00 O ATOM 864 CB LEU A 68 6.322 5.466 -3.308 1.00 0.00 C ATOM 865 CG LEU A 68 5.712 4.304 -2.524 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.779 4.824 -1.440 1.00 0.00 C ATOM 867 CD2 LEU A 68 4.974 3.359 -3.460 1.00 0.00 C ATOM 0 H LEU A 68 8.974 6.026 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 68 7.133 4.039 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.810 6.142 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.517 6.027 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 68 6.519 3.750 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.354 3.983 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.338 5.460 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.976 5.402 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.546 2.538 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.176 3.900 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.670 2.961 -4.198 1.00 0.00 H new ATOM 879 N GLU A 69 6.171 5.736 -6.399 1.00 0.00 N ATOM 880 CA GLU A 69 5.926 6.541 -7.590 1.00 0.00 C ATOM 881 C GLU A 69 4.431 6.692 -7.848 1.00 0.00 C ATOM 882 O GLU A 69 3.624 5.899 -7.361 1.00 0.00 O ATOM 883 CB GLU A 69 6.609 5.907 -8.807 1.00 0.00 C ATOM 884 CG GLU A 69 7.623 6.818 -9.478 1.00 0.00 C ATOM 885 CD GLU A 69 7.809 6.498 -10.948 1.00 0.00 C ATOM 886 OE1 GLU A 69 7.034 7.026 -11.774 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.731 5.721 -11.274 1.00 0.00 O ATOM 0 H GLU A 69 5.494 4.988 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 69 6.346 7.533 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.108 4.989 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.848 5.626 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.301 7.854 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.581 6.729 -8.966 1.00 0.00 H new ATOM 894 N HIS A 70 4.067 7.714 -8.614 1.00 0.00 N ATOM 895 CA HIS A 70 2.667 7.969 -8.934 1.00 0.00 C ATOM 896 C HIS A 70 2.229 7.145 -10.142 1.00 0.00 C ATOM 897 O HIS A 70 1.065 6.758 -10.253 1.00 0.00 O ATOM 898 CB HIS A 70 2.445 9.457 -9.208 1.00 0.00 C ATOM 899 CG HIS A 70 1.977 10.223 -8.011 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.775 9.975 -7.381 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.557 11.235 -7.324 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.636 10.803 -6.361 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.704 11.577 -6.305 1.00 0.00 N ATOM 0 H HIS A 70 4.722 8.380 -9.025 1.00 0.00 H new ATOM 0 HA HIS A 70 2.064 7.674 -8.075 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.376 9.895 -9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.712 9.565 -10.008 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.099 9.263 -7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.513 11.689 -7.538 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.208 10.840 -5.688 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.869 12.311 -5.616 1.00 0.00 H new ATOM 912 N GLY A 71 3.168 6.881 -11.045 1.00 0.00 N ATOM 913 CA GLY A 71 2.858 6.106 -12.232 1.00 0.00 C ATOM 914 C GLY A 71 3.654 6.558 -13.442 1.00 0.00 C ATOM 915 O GLY A 71 4.322 5.753 -14.088 1.00 0.00 O ATOM 0 H GLY A 71 4.138 7.190 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.062 5.053 -12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.793 6.189 -12.449 1.00 0.00 H new ATOM 919 N ASP A 72 3.580 7.849 -13.746 1.00 0.00 N ATOM 920 CA ASP A 72 4.299 8.407 -14.885 1.00 0.00 C ATOM 921 C ASP A 72 4.528 9.905 -14.700 1.00 0.00 C ATOM 922 O ASP A 72 3.891 10.729 -15.355 1.00 0.00 O ATOM 923 CB ASP A 72 3.522 8.154 -16.180 1.00 0.00 C ATOM 924 CG ASP A 72 2.133 8.759 -16.149 1.00 0.00 C ATOM 925 OD1 ASP A 72 1.376 8.458 -15.202 1.00 0.00 O ATOM 926 OD2 ASP A 72 1.802 9.532 -17.072 1.00 0.00 O ATOM 0 H ASP A 72 3.030 8.528 -13.220 1.00 0.00 H new ATOM 0 HA ASP A 72 5.269 7.913 -14.950 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.077 8.570 -17.021 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.444 7.080 -16.349 1.00 0.00 H new ATOM 931 N GLY A 73 5.445 10.249 -13.800 1.00 0.00 N ATOM 932 CA GLY A 73 5.744 11.645 -13.542 1.00 0.00 C ATOM 933 C GLY A 73 5.238 12.104 -12.188 1.00 0.00 C ATOM 934 O GLY A 73 4.454 13.049 -12.099 1.00 0.00 O ATOM 0 H GLY A 73 5.986 9.585 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.822 11.799 -13.595 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.295 12.260 -14.322 1.00 0.00 H new ATOM 938 N GLY A 74 5.688 11.434 -11.133 1.00 0.00 N ATOM 939 CA GLY A 74 5.265 11.792 -9.792 1.00 0.00 C ATOM 940 C GLY A 74 5.883 10.902 -8.732 1.00 0.00 C ATOM 941 O GLY A 74 5.171 10.240 -7.976 1.00 0.00 O ATOM 0 H GLY A 74 6.338 10.650 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.535 12.829 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.179 11.728 -9.728 1.00 0.00 H new ATOM 945 N ILE A 75 7.210 10.884 -8.677 1.00 0.00 N ATOM 946 CA ILE A 75 7.924 10.070 -7.703 1.00 0.00 C ATOM 947 C ILE A 75 7.782 10.642 -6.297 1.00 0.00 C ATOM 948 O ILE A 75 7.495 11.826 -6.124 1.00 0.00 O ATOM 949 CB ILE A 75 9.422 9.957 -8.046 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.607 9.706 -9.546 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.068 8.847 -7.230 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.040 9.431 -9.948 1.00 0.00 C ATOM 0 H ILE A 75 7.813 11.425 -9.297 1.00 0.00 H new ATOM 0 HA ILE A 75 7.476 9.077 -7.739 1.00 0.00 H new ATOM 0 HB ILE A 75 9.912 10.898 -7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.988 8.859 -9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.245 10.574 -10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.126 8.778 -7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.962 9.067 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.579 7.899 -7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.090 9.263 -11.024 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.662 10.286 -9.685 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.401 8.545 -9.425 1.00 0.00 H new ATOM 964 N LEU A 76 7.989 9.793 -5.295 1.00 0.00 N ATOM 965 CA LEU A 76 7.888 10.218 -3.903 1.00 0.00 C ATOM 966 C LEU A 76 8.798 9.379 -3.011 1.00 0.00 C ATOM 967 O LEU A 76 8.935 8.170 -3.204 1.00 0.00 O ATOM 968 CB LEU A 76 6.441 10.136 -3.399 1.00 0.00 C ATOM 969 CG LEU A 76 5.487 9.332 -4.282 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.696 8.334 -3.451 1.00 0.00 C ATOM 971 CD2 LEU A 76 4.550 10.259 -5.043 1.00 0.00 C ATOM 0 H LEU A 76 8.227 8.809 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 76 8.210 11.258 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.445 9.696 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.051 11.149 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 76 6.081 8.776 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.023 7.773 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.383 7.646 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.114 8.867 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.879 9.667 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.965 10.846 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.134 10.929 -5.674 1.00 0.00 H new ATOM 983 N ASP A 77 9.418 10.031 -2.033 1.00 0.00 N ATOM 984 CA ASP A 77 10.316 9.351 -1.108 1.00 0.00 C ATOM 985 C ASP A 77 9.613 9.069 0.218 1.00 0.00 C ATOM 986 O ASP A 77 8.385 9.108 0.299 1.00 0.00 O ATOM 987 CB ASP A 77 11.571 10.197 -0.873 1.00 0.00 C ATOM 988 CG ASP A 77 12.843 9.376 -0.953 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.888 8.428 -1.766 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.794 9.681 -0.203 1.00 0.00 O ATOM 0 H ASP A 77 9.314 11.031 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 77 10.609 8.399 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.611 10.997 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.508 10.671 0.106 1.00 0.00 H new ATOM 995 N LEU A 78 10.395 8.783 1.253 1.00 0.00 N ATOM 996 CA LEU A 78 9.844 8.493 2.570 1.00 0.00 C ATOM 997 C LEU A 78 10.043 9.674 3.517 1.00 0.00 C ATOM 998 O LEU A 78 10.415 9.498 4.677 1.00 0.00 O ATOM 999 CB LEU A 78 10.499 7.239 3.156 1.00 0.00 C ATOM 1000 CG LEU A 78 10.786 6.126 2.146 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.205 6.246 1.611 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.570 4.760 2.784 1.00 0.00 C ATOM 0 H LEU A 78 11.413 8.746 1.205 1.00 0.00 H new ATOM 0 HA LEU A 78 8.774 8.317 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.436 7.526 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.852 6.841 3.938 1.00 0.00 H new ATOM 0 HG LEU A 78 10.093 6.230 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.392 5.447 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.328 7.211 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.913 6.167 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.778 3.980 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.240 4.646 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.537 4.675 3.121 1.00 0.00 H new ATOM 1014 N ASP A 79 9.790 10.879 3.015 1.00 0.00 N ATOM 1015 CA ASP A 79 9.941 12.087 3.817 1.00 0.00 C ATOM 1016 C ASP A 79 8.906 13.139 3.428 1.00 0.00 C ATOM 1017 O ASP A 79 9.124 14.337 3.617 1.00 0.00 O ATOM 1018 CB ASP A 79 11.353 12.656 3.655 1.00 0.00 C ATOM 1019 CG ASP A 79 12.025 12.926 4.987 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.397 13.577 5.848 1.00 0.00 O ATOM 1021 OD2 ASP A 79 13.179 12.483 5.170 1.00 0.00 O ATOM 0 H ASP A 79 9.480 11.044 2.057 1.00 0.00 H new ATOM 0 HA ASP A 79 9.780 11.821 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.960 11.956 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.305 13.582 3.081 1.00 0.00 H new ATOM 1026 N ASP A 80 7.780 12.688 2.882 1.00 0.00 N ATOM 1027 CA ASP A 80 6.715 13.596 2.470 1.00 0.00 C ATOM 1028 C ASP A 80 5.356 13.103 2.960 1.00 0.00 C ATOM 1029 O ASP A 80 5.024 11.928 2.817 1.00 0.00 O ATOM 1030 CB ASP A 80 6.699 13.739 0.947 1.00 0.00 C ATOM 1031 CG ASP A 80 7.532 14.910 0.467 1.00 0.00 C ATOM 1032 OD1 ASP A 80 7.201 16.061 0.824 1.00 0.00 O ATOM 1033 OD2 ASP A 80 8.516 14.679 -0.267 1.00 0.00 O ATOM 0 H ASP A 80 7.582 11.701 2.715 1.00 0.00 H new ATOM 0 HA ASP A 80 6.910 14.570 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.074 12.821 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.671 13.865 0.608 1.00 0.00 H new ATOM 1038 N ILE A 81 4.575 14.010 3.541 1.00 0.00 N ATOM 1039 CA ILE A 81 3.255 13.669 4.053 1.00 0.00 C ATOM 1040 C ILE A 81 2.378 13.050 2.971 1.00 0.00 C ATOM 1041 O ILE A 81 2.624 13.225 1.777 1.00 0.00 O ATOM 1042 CB ILE A 81 2.564 14.909 4.650 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.296 15.332 5.918 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.095 14.634 4.948 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.188 14.311 7.030 1.00 0.00 C ATOM 0 H ILE A 81 4.836 14.988 3.668 1.00 0.00 H new ATOM 0 HA ILE A 81 3.393 12.929 4.841 1.00 0.00 H new ATOM 0 HB ILE A 81 2.604 15.717 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.348 15.498 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.892 16.283 6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.635 15.528 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.582 14.361 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.016 13.815 5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.729 14.669 7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.139 14.162 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.618 13.366 6.699 1.00 0.00 H new ATOM 1057 N LEU A 82 1.361 12.313 3.402 1.00 0.00 N ATOM 1058 CA LEU A 82 0.449 11.651 2.481 1.00 0.00 C ATOM 1059 C LEU A 82 -0.303 12.658 1.612 1.00 0.00 C ATOM 1060 O LEU A 82 -0.244 12.596 0.385 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.548 10.785 3.259 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.629 9.327 2.806 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.870 9.243 1.307 1.00 0.00 C ATOM 1064 CD2 LEU A 82 0.641 8.581 3.188 1.00 0.00 C ATOM 0 H LEU A 82 1.148 12.159 4.388 1.00 0.00 H new ATOM 0 HA LEU A 82 1.044 11.018 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.279 10.807 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.538 11.232 3.173 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.471 8.856 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.924 8.197 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.808 9.741 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.051 9.731 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.567 7.545 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.499 9.054 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.768 8.609 4.270 1.00 0.00 H new ATOM 1076 N CYS A 83 -1.017 13.574 2.257 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.792 14.584 1.541 1.00 0.00 C ATOM 1078 C CYS A 83 -0.893 15.576 0.802 1.00 0.00 C ATOM 1079 O CYS A 83 -1.370 16.364 -0.013 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.700 15.337 2.516 1.00 0.00 C ATOM 1081 SG CYS A 83 -4.150 16.090 1.741 1.00 0.00 S ATOM 0 H CYS A 83 -1.076 13.639 3.273 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.398 14.066 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.033 14.648 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.119 16.116 3.009 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.857 16.701 2.645 1.00 0.00 H new ATOM 1087 N ASP A 84 0.406 15.543 1.093 1.00 0.00 N ATOM 1088 CA ASP A 84 1.349 16.453 0.452 1.00 0.00 C ATOM 1089 C ASP A 84 1.796 15.928 -0.910 1.00 0.00 C ATOM 1090 O ASP A 84 1.811 16.670 -1.894 1.00 0.00 O ATOM 1091 CB ASP A 84 2.568 16.670 1.349 1.00 0.00 C ATOM 1092 CG ASP A 84 2.427 17.897 2.229 1.00 0.00 C ATOM 1093 OD1 ASP A 84 2.801 18.998 1.774 1.00 0.00 O ATOM 1094 OD2 ASP A 84 1.941 17.756 3.371 1.00 0.00 O ATOM 0 H ASP A 84 0.826 14.900 1.764 1.00 0.00 H new ATOM 0 HA ASP A 84 0.838 17.404 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.715 15.791 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.459 16.771 0.729 1.00 0.00 H new ATOM 1099 N VAL A 85 2.167 14.654 -0.964 1.00 0.00 N ATOM 1100 CA VAL A 85 2.625 14.046 -2.210 1.00 0.00 C ATOM 1101 C VAL A 85 1.556 13.151 -2.828 1.00 0.00 C ATOM 1102 O VAL A 85 1.465 13.036 -4.050 1.00 0.00 O ATOM 1103 CB VAL A 85 3.906 13.222 -1.993 1.00 0.00 C ATOM 1104 CG1 VAL A 85 5.105 14.138 -1.800 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.746 12.286 -0.805 1.00 0.00 C ATOM 0 H VAL A 85 2.160 14.023 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 85 2.837 14.867 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 85 4.079 12.616 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.001 13.537 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.232 14.762 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.942 14.772 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.662 11.712 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.546 12.870 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.915 11.605 -0.988 1.00 0.00 H new ATOM 1115 N ALA A 86 0.753 12.515 -1.983 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.302 11.629 -2.458 1.00 0.00 C ATOM 1117 C ALA A 86 -1.663 12.313 -2.403 1.00 0.00 C ATOM 1118 O ALA A 86 -1.791 13.426 -1.893 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.318 10.345 -1.643 1.00 0.00 C ATOM 0 H ALA A 86 0.812 12.596 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.094 11.383 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.111 9.692 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.643 9.840 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.497 10.582 -0.594 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.679 11.637 -2.930 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.033 12.175 -2.941 1.00 0.00 C ATOM 1127 C ASP A 87 -5.048 11.093 -2.584 1.00 0.00 C ATOM 1128 O ASP A 87 -4.799 9.905 -2.785 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.359 12.764 -4.315 1.00 0.00 C ATOM 1130 CG ASP A 87 -3.821 14.172 -4.481 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -4.404 15.104 -3.890 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -2.817 14.341 -5.205 1.00 0.00 O ATOM 0 H ASP A 87 -2.589 10.714 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.091 12.965 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.940 12.124 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.440 12.771 -4.457 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.192 11.513 -2.053 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.246 10.580 -1.666 1.00 0.00 C ATOM 1139 C ASP A 88 -7.633 9.676 -2.833 1.00 0.00 C ATOM 1140 O ASP A 88 -7.998 10.154 -3.907 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.474 11.343 -1.169 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.161 10.642 -0.013 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -9.074 9.398 0.064 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.785 11.338 0.817 1.00 0.00 O ATOM 0 H ASP A 88 -6.413 12.494 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.863 9.955 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.175 12.344 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.181 11.462 -1.990 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.549 8.369 -2.614 1.00 0.00 N ATOM 1150 CA LYS A 89 -7.888 7.396 -3.646 1.00 0.00 C ATOM 1151 C LYS A 89 -6.982 7.555 -4.864 1.00 0.00 C ATOM 1152 O LYS A 89 -7.418 8.004 -5.924 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.357 7.550 -4.055 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.094 6.227 -4.181 1.00 0.00 C ATOM 1155 CD LYS A 89 -9.642 5.451 -5.408 1.00 0.00 C ATOM 1156 CE LYS A 89 -9.543 3.962 -5.120 1.00 0.00 C ATOM 1157 NZ LYS A 89 -8.206 3.586 -4.584 1.00 0.00 N ATOM 0 H LYS A 89 -7.249 7.958 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.736 6.397 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.867 8.172 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.407 8.077 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.923 5.628 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.167 6.411 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.344 5.619 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.673 5.824 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.314 3.679 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.738 3.402 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.181 2.563 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.472 3.832 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.030 4.101 -3.697 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.714 7.185 -4.704 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.747 7.288 -5.792 1.00 0.00 C ATOM 1173 C ASP A 90 -3.818 6.078 -5.815 1.00 0.00 C ATOM 1174 O ASP A 90 -3.453 5.541 -4.768 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.926 8.572 -5.652 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.150 8.902 -6.913 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.791 9.171 -7.950 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.902 8.890 -6.862 1.00 0.00 O ATOM 0 H ASP A 90 -5.334 6.812 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.299 7.316 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.591 9.401 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.232 8.467 -4.818 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.438 5.654 -7.017 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.551 4.508 -7.180 1.00 0.00 C ATOM 1185 C ARG A 91 -1.095 4.957 -7.260 1.00 0.00 C ATOM 1186 O ARG A 91 -0.799 6.048 -7.745 1.00 0.00 O ATOM 1187 CB ARG A 91 -2.925 3.720 -8.437 1.00 0.00 C ATOM 1188 CG ARG A 91 -2.741 4.504 -9.726 1.00 0.00 C ATOM 1189 CD ARG A 91 -3.671 4.005 -10.820 1.00 0.00 C ATOM 1190 NE ARG A 91 -3.652 4.876 -11.992 1.00 0.00 N ATOM 1191 CZ ARG A 91 -4.214 6.083 -12.028 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -4.838 6.564 -10.960 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -4.151 6.809 -13.135 1.00 0.00 N ATOM 0 H ARG A 91 -3.731 6.088 -7.892 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.667 3.863 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.318 2.816 -8.482 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.965 3.403 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.931 5.561 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.707 4.420 -10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.379 2.997 -11.113 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.687 3.942 -10.431 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.181 4.540 -12.832 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.889 6.009 -10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.267 7.489 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.673 6.443 -13.958 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.581 7.733 -13.164 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.190 4.108 -6.782 1.00 0.00 N ATOM 1208 CA LEU A 92 1.234 4.422 -6.798 1.00 0.00 C ATOM 1209 C LEU A 92 2.069 3.176 -7.081 1.00 0.00 C ATOM 1210 O LEU A 92 1.710 2.070 -6.675 1.00 0.00 O ATOM 1211 CB LEU A 92 1.655 5.036 -5.462 1.00 0.00 C ATOM 1212 CG LEU A 92 1.045 6.409 -5.157 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.485 6.444 -3.742 1.00 0.00 C ATOM 1214 CD2 LEU A 92 2.080 7.512 -5.349 1.00 0.00 C ATOM 0 H LEU A 92 -0.417 3.199 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 92 1.410 5.142 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.382 4.348 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.741 5.127 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 92 0.226 6.581 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.057 7.427 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.289 5.683 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.286 6.247 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.627 8.478 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.921 7.343 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.433 7.504 -6.380 1.00 0.00 H new ATOM 1226 N VAL A 93 3.190 3.366 -7.770 1.00 0.00 N ATOM 1227 CA VAL A 93 4.082 2.263 -8.099 1.00 0.00 C ATOM 1228 C VAL A 93 5.155 2.103 -7.028 1.00 0.00 C ATOM 1229 O VAL A 93 5.896 3.042 -6.734 1.00 0.00 O ATOM 1230 CB VAL A 93 4.762 2.474 -9.465 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.543 1.234 -9.873 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.733 2.837 -10.523 1.00 0.00 C ATOM 0 H VAL A 93 3.501 4.275 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 93 3.473 1.360 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 93 5.465 3.302 -9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.016 1.404 -10.840 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.309 1.025 -9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.865 0.384 -9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.232 2.982 -11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.003 2.032 -10.612 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.225 3.757 -10.236 1.00 0.00 H new ATOM 1242 N ALA A 94 5.227 0.916 -6.438 1.00 0.00 N ATOM 1243 CA ALA A 94 6.203 0.645 -5.390 1.00 0.00 C ATOM 1244 C ALA A 94 7.304 -0.294 -5.870 1.00 0.00 C ATOM 1245 O ALA A 94 7.046 -1.447 -6.224 1.00 0.00 O ATOM 1246 CB ALA A 94 5.509 0.064 -4.168 1.00 0.00 C ATOM 0 H ALA A 94 4.622 0.127 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 94 6.673 1.591 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.247 -0.135 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.772 0.776 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.010 -0.866 -4.441 1.00 0.00 H new ATOM 1252 N VAL A 95 8.536 0.207 -5.860 1.00 0.00 N ATOM 1253 CA VAL A 95 9.691 -0.579 -6.274 1.00 0.00 C ATOM 1254 C VAL A 95 10.473 -1.047 -5.052 1.00 0.00 C ATOM 1255 O VAL A 95 10.814 -0.248 -4.180 1.00 0.00 O ATOM 1256 CB VAL A 95 10.626 0.230 -7.192 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.731 -0.657 -7.745 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.837 0.880 -8.318 1.00 0.00 C ATOM 0 H VAL A 95 8.759 1.158 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 95 9.319 -1.440 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 95 11.090 1.021 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.381 -0.068 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.314 -1.068 -6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.290 -1.472 -8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.514 1.447 -8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.343 0.109 -8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.088 1.551 -7.897 1.00 0.00 H new ATOM 1268 N PHE A 96 10.743 -2.345 -4.980 1.00 0.00 N ATOM 1269 CA PHE A 96 11.468 -2.899 -3.845 1.00 0.00 C ATOM 1270 C PHE A 96 12.220 -4.169 -4.222 1.00 0.00 C ATOM 1271 O PHE A 96 12.203 -4.604 -5.374 1.00 0.00 O ATOM 1272 CB PHE A 96 10.496 -3.202 -2.704 1.00 0.00 C ATOM 1273 CG PHE A 96 9.519 -4.297 -3.029 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.635 -4.162 -4.085 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.489 -5.463 -2.279 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.740 -5.166 -4.389 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.593 -6.471 -2.579 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.717 -6.323 -3.637 1.00 0.00 C ATOM 0 H PHE A 96 10.473 -3.028 -5.688 1.00 0.00 H new ATOM 0 HA PHE A 96 12.198 -2.156 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.064 -3.483 -1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.945 -2.295 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.646 -3.260 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.173 -5.584 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.056 -5.047 -5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.577 -7.374 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.017 -7.110 -3.875 1.00 0.00 H new ATOM 1288 N ASP A 97 12.867 -4.761 -3.226 1.00 0.00 N ATOM 1289 CA ASP A 97 13.621 -5.991 -3.415 1.00 0.00 C ATOM 1290 C ASP A 97 13.024 -7.100 -2.560 1.00 0.00 C ATOM 1291 O ASP A 97 12.349 -6.827 -1.570 1.00 0.00 O ATOM 1292 CB ASP A 97 15.090 -5.776 -3.047 1.00 0.00 C ATOM 1293 CG ASP A 97 15.963 -5.539 -4.264 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.795 -4.491 -4.921 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.815 -6.403 -4.558 1.00 0.00 O ATOM 0 H ASP A 97 12.883 -4.404 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 97 13.565 -6.281 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.172 -4.923 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.457 -6.647 -2.504 1.00 0.00 H new ATOM 1300 N GLU A 98 13.270 -8.347 -2.943 1.00 0.00 N ATOM 1301 CA GLU A 98 12.741 -9.480 -2.197 1.00 0.00 C ATOM 1302 C GLU A 98 13.580 -10.730 -2.429 1.00 0.00 C ATOM 1303 O GLU A 98 13.894 -11.075 -3.569 1.00 0.00 O ATOM 1304 CB GLU A 98 11.288 -9.747 -2.595 1.00 0.00 C ATOM 1305 CG GLU A 98 11.067 -9.781 -4.098 1.00 0.00 C ATOM 1306 CD GLU A 98 10.048 -10.825 -4.513 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.966 -11.874 -3.839 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.334 -10.593 -5.511 1.00 0.00 O ATOM 0 H GLU A 98 13.828 -8.597 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 98 12.782 -9.231 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.972 -10.699 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.653 -8.975 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.734 -8.799 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.015 -9.985 -4.597 1.00 0.00 H new ATOM 1315 N GLN A 99 13.934 -11.413 -1.345 1.00 0.00 N ATOM 1316 CA GLN A 99 14.730 -12.634 -1.447 1.00 0.00 C ATOM 1317 C GLN A 99 13.823 -13.856 -1.529 1.00 0.00 C ATOM 1318 O GLN A 99 13.700 -14.621 -0.572 1.00 0.00 O ATOM 1319 CB GLN A 99 15.692 -12.761 -0.259 1.00 0.00 C ATOM 1320 CG GLN A 99 16.454 -14.078 -0.214 1.00 0.00 C ATOM 1321 CD GLN A 99 16.640 -14.594 1.200 1.00 0.00 C ATOM 1322 OE1 GLN A 99 17.504 -14.121 1.937 1.00 0.00 O ATOM 1323 NE2 GLN A 99 15.828 -15.571 1.586 1.00 0.00 N ATOM 0 H GLN A 99 13.685 -11.146 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 99 15.322 -12.577 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.408 -11.940 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.127 -12.649 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.919 -14.824 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.430 -13.945 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.125 -15.934 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.907 -15.958 2.526 1.00 0.00 H new ATOM 1332 N ASP A 100 13.191 -14.031 -2.684 1.00 0.00 N ATOM 1333 CA ASP A 100 12.290 -15.157 -2.906 1.00 0.00 C ATOM 1334 C ASP A 100 13.002 -16.483 -2.653 1.00 0.00 C ATOM 1335 O ASP A 100 14.023 -16.744 -3.322 1.00 0.00 O ATOM 1336 CB ASP A 100 11.745 -15.124 -4.335 1.00 0.00 C ATOM 1337 CG ASP A 100 10.325 -15.648 -4.424 1.00 0.00 C ATOM 1338 OD1 ASP A 100 10.104 -16.825 -4.069 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.436 -14.883 -4.852 1.00 0.00 O ATOM 1340 OXT ASP A 100 12.531 -17.249 -1.785 1.00 0.00 O ATOM 0 H ASP A 100 13.286 -13.405 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 100 11.461 -15.071 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.776 -14.101 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.390 -15.719 -4.981 1.00 0.00 H new