USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 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 23 CYS SG : rot -168:sc= 1.44 USER MOD Set 1.2: A 25 HIS : no HE2:sc= 0.161 K(o=4.6,f=0.58!) USER MOD Set 1.3: A 64 ASN : amide:sc= 0.849 K(o=4.6,f=-8.9!) USER MOD Set 1.4: A 70 CYS SG : rot 21:sc= 2.01 USER MOD Set 1.5: A 87 SER OG : rot -174:sc= 0.103 USER MOD Set 2.1: A 66 SER OG : rot -160:sc= -0.0623 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.0527 K(o=-0.12,f=1.4) USER MOD Set 3.1: A 24 ASN : amide:sc= -7.32! C(o=-0.69!,f=-2.6!) USER MOD Set 3.2: A 26 HIS : no HD1:sc= 2.15 K(o=-0.69,f=-19!) USER MOD Set 3.3: A 33 HIS : no HD1:sc= 1.17 K(o=-0.69,f=-9.7!) USER MOD Set 3.4: A 36 THR OG1 : rot -35:sc= 2.27 USER MOD Set 3.5: A 88 THR OG1 : rot -149:sc= 1.04 USER MOD Single : A 19 SER OG : rot 24:sc= 0.183 USER MOD Single : A 22 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.06) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.671 K(o=-0.67,f=-0.0046) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 136:sc= 1.26 (180deg=0.65) USER MOD Single : A 54 GLN : amide:sc= -1.96! K(o=-2!,f=-0.066) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= 1.11 (180deg=0.301) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.83 K(o=-0.83,f=0.14) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.72) USER MOD Single : A 83 SER OG : rot 180:sc= -0.187 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.612 -1.344 -2.597 1.00 0.00 N ATOM 2 CA SER A 19 19.464 -0.095 -3.374 1.00 0.00 C ATOM 3 C SER A 19 18.008 0.353 -3.355 1.00 0.00 C ATOM 4 O SER A 19 17.258 -0.058 -2.470 1.00 0.00 O ATOM 5 CB SER A 19 19.939 -0.334 -4.804 1.00 0.00 C ATOM 6 OG SER A 19 21.243 -0.894 -4.812 1.00 0.00 O ATOM 0 HA SER A 19 20.071 0.694 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.247 -1.003 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.938 0.607 -5.355 1.00 0.00 H new ATOM 0 HG SER A 19 21.409 -1.350 -3.960 1.00 0.00 H new ATOM 14 N PHE A 20 17.611 1.208 -4.297 1.00 0.00 N ATOM 15 CA PHE A 20 16.210 1.607 -4.408 1.00 0.00 C ATOM 16 C PHE A 20 15.333 0.380 -4.633 1.00 0.00 C ATOM 17 O PHE A 20 15.715 -0.550 -5.348 1.00 0.00 O ATOM 18 CB PHE A 20 15.997 2.635 -5.529 1.00 0.00 C ATOM 19 CG PHE A 20 16.301 2.132 -6.914 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.602 2.093 -7.386 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.277 1.705 -7.746 1.00 0.00 C ATOM 22 CE1 PHE A 20 17.878 1.634 -8.658 1.00 0.00 C ATOM 23 CE2 PHE A 20 15.549 1.246 -9.020 1.00 0.00 C ATOM 24 CZ PHE A 20 16.851 1.212 -9.477 1.00 0.00 C ATOM 0 H PHE A 20 18.232 1.633 -4.986 1.00 0.00 H new ATOM 0 HA PHE A 20 15.923 2.084 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.961 2.974 -5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.622 3.505 -5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.410 2.426 -6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.256 1.732 -7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 20 18.898 1.605 -9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.743 0.914 -9.658 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.065 0.856 -10.474 1.00 0.00 H new ATOM 34 N VAL A 21 14.166 0.384 -4.025 1.00 0.00 N ATOM 35 CA VAL A 21 13.318 -0.795 -4.012 1.00 0.00 C ATOM 36 C VAL A 21 11.850 -0.440 -4.234 1.00 0.00 C ATOM 37 O VAL A 21 11.352 0.571 -3.733 1.00 0.00 O ATOM 38 CB VAL A 21 13.496 -1.566 -2.682 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.363 -0.616 -1.512 1.00 0.00 C ATOM 40 CG2 VAL A 21 12.502 -2.710 -2.548 1.00 0.00 C ATOM 0 H VAL A 21 13.780 1.189 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 21 13.626 -1.435 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 21 14.495 -2.002 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.490 -1.167 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.127 0.158 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.376 -0.154 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.663 -3.223 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.487 -2.315 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.643 -3.413 -3.369 1.00 0.00 H new ATOM 50 N GLN A 22 11.176 -1.263 -5.024 1.00 0.00 N ATOM 51 CA GLN A 22 9.741 -1.139 -5.223 1.00 0.00 C ATOM 52 C GLN A 22 9.036 -2.355 -4.631 1.00 0.00 C ATOM 53 O GLN A 22 9.524 -3.481 -4.747 1.00 0.00 O ATOM 54 CB GLN A 22 9.414 -0.968 -6.715 1.00 0.00 C ATOM 55 CG GLN A 22 10.249 -1.832 -7.655 1.00 0.00 C ATOM 56 CD GLN A 22 9.468 -2.966 -8.300 1.00 0.00 C ATOM 57 OE1 GLN A 22 9.742 -3.349 -9.437 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.513 -3.526 -7.578 1.00 0.00 N ATOM 0 H GLN A 22 11.605 -2.030 -5.541 1.00 0.00 H new ATOM 0 HA GLN A 22 9.381 -0.248 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.360 -1.200 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.554 0.079 -6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.668 -1.200 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.088 -2.251 -7.100 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.315 -3.181 -6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.974 -4.303 -7.960 1.00 0.00 H new ATOM 67 N CYS A 23 7.889 -2.132 -4.006 1.00 0.00 N ATOM 68 CA CYS A 23 7.225 -3.179 -3.240 1.00 0.00 C ATOM 69 C CYS A 23 5.710 -3.028 -3.269 1.00 0.00 C ATOM 70 O CYS A 23 5.185 -1.919 -3.404 1.00 0.00 O ATOM 71 CB CYS A 23 7.728 -3.134 -1.798 1.00 0.00 C ATOM 72 SG CYS A 23 7.670 -1.486 -1.054 1.00 0.00 S ATOM 0 H CYS A 23 7.399 -1.238 -4.014 1.00 0.00 H new ATOM 0 HA CYS A 23 7.464 -4.141 -3.693 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.130 -3.816 -1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.755 -3.499 -1.770 1.00 0.00 H new ATOM 0 HG CYS A 23 8.332 -1.491 0.065 1.00 0.00 H new ATOM 78 N ASN A 24 5.005 -4.148 -3.143 1.00 0.00 N ATOM 79 CA ASN A 24 3.548 -4.137 -3.139 1.00 0.00 C ATOM 80 C ASN A 24 3.024 -3.573 -1.836 1.00 0.00 C ATOM 81 O ASN A 24 3.011 -4.246 -0.804 1.00 0.00 O ATOM 82 CB ASN A 24 2.964 -5.532 -3.368 1.00 0.00 C ATOM 83 CG ASN A 24 3.878 -6.633 -2.875 1.00 0.00 C ATOM 84 OD1 ASN A 24 3.886 -6.968 -1.690 1.00 0.00 O ATOM 85 ND2 ASN A 24 4.634 -7.221 -3.792 1.00 0.00 N ATOM 0 H ASN A 24 5.420 -5.074 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 24 3.231 -3.500 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.003 -5.608 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.773 -5.672 -4.432 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.256 -7.985 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.594 -6.909 -4.762 1.00 0.00 H new ATOM 92 N HIS A 25 2.594 -2.330 -1.904 1.00 0.00 N ATOM 93 CA HIS A 25 2.039 -1.639 -0.760 1.00 0.00 C ATOM 94 C HIS A 25 0.689 -2.241 -0.414 1.00 0.00 C ATOM 95 O HIS A 25 -0.238 -2.208 -1.222 1.00 0.00 O ATOM 96 CB HIS A 25 1.902 -0.150 -1.079 1.00 0.00 C ATOM 97 CG HIS A 25 3.203 0.595 -1.089 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.337 0.140 -1.729 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.545 1.777 -0.524 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.317 1.006 -1.554 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.863 2.008 -0.828 1.00 0.00 N ATOM 0 H HIS A 25 2.620 -1.770 -2.756 1.00 0.00 H new ATOM 0 HA HIS A 25 2.702 -1.750 0.098 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.425 -0.040 -2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.239 0.308 -0.346 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.407 -0.731 -2.256 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.900 2.419 0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.321 0.910 -1.940 1.00 0.00 H new ATOM 110 N HIS A 26 0.590 -2.824 0.769 1.00 0.00 N ATOM 111 CA HIS A 26 -0.633 -3.499 1.172 1.00 0.00 C ATOM 112 C HIS A 26 -1.545 -2.573 1.956 1.00 0.00 C ATOM 113 O HIS A 26 -1.125 -1.940 2.927 1.00 0.00 O ATOM 114 CB HIS A 26 -0.333 -4.739 2.017 1.00 0.00 C ATOM 115 CG HIS A 26 0.496 -5.770 1.321 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.273 -6.166 0.020 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.553 -6.492 1.755 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.157 -7.084 -0.313 1.00 0.00 C ATOM 119 NE2 HIS A 26 1.944 -7.299 0.720 1.00 0.00 N ATOM 0 H HIS A 26 1.337 -2.844 1.464 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.138 -3.805 0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.181 -4.429 2.927 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.276 -5.193 2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.005 -6.442 2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.225 -7.577 -1.272 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.720 -7.960 0.745 1.00 0.00 H new ATOM 128 N LEU A 27 -2.793 -2.513 1.533 1.00 0.00 N ATOM 129 CA LEU A 27 -3.815 -1.800 2.270 1.00 0.00 C ATOM 130 C LEU A 27 -4.599 -2.821 3.081 1.00 0.00 C ATOM 131 O LEU A 27 -5.032 -3.854 2.552 1.00 0.00 O ATOM 132 CB LEU A 27 -4.740 -1.038 1.307 1.00 0.00 C ATOM 133 CG LEU A 27 -5.531 0.137 1.908 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.563 -0.339 2.911 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.588 1.131 2.565 1.00 0.00 C ATOM 0 H LEU A 27 -3.124 -2.954 0.675 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.362 -1.064 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.137 -0.658 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.451 -1.747 0.882 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.058 0.629 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.101 0.519 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.266 -1.010 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.064 -0.868 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.164 1.956 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.032 0.634 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.891 1.517 1.822 1.00 0.00 H new ATOM 147 N LEU A 28 -4.755 -2.545 4.359 1.00 0.00 N ATOM 148 CA LEU A 28 -5.424 -3.454 5.260 1.00 0.00 C ATOM 149 C LEU A 28 -6.910 -3.129 5.339 1.00 0.00 C ATOM 150 O LEU A 28 -7.301 -2.004 5.662 1.00 0.00 O ATOM 151 CB LEU A 28 -4.791 -3.375 6.652 1.00 0.00 C ATOM 152 CG LEU A 28 -4.375 -4.717 7.258 1.00 0.00 C ATOM 153 CD1 LEU A 28 -5.576 -5.625 7.458 1.00 0.00 C ATOM 154 CD2 LEU A 28 -3.330 -5.386 6.380 1.00 0.00 C ATOM 0 H LEU A 28 -4.422 -1.687 4.799 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.312 -4.469 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.913 -2.732 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.498 -2.893 7.328 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.938 -4.530 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.249 -6.571 7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.287 -5.145 8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.055 -5.811 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.041 -6.340 6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.744 -5.556 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.454 -4.742 6.302 1.00 0.00 H new ATOM 166 N TYR A 29 -7.724 -4.120 5.041 1.00 0.00 N ATOM 167 CA TYR A 29 -9.165 -3.990 5.128 1.00 0.00 C ATOM 168 C TYR A 29 -9.583 -4.496 6.493 1.00 0.00 C ATOM 169 O TYR A 29 -8.906 -5.353 7.053 1.00 0.00 O ATOM 170 CB TYR A 29 -9.827 -4.807 4.006 1.00 0.00 C ATOM 171 CG TYR A 29 -11.342 -4.796 4.004 1.00 0.00 C ATOM 172 CD1 TYR A 29 -12.065 -5.653 4.821 1.00 0.00 C ATOM 173 CD2 TYR A 29 -12.048 -3.928 3.181 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.446 -5.648 4.821 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.431 -3.916 3.176 1.00 0.00 C ATOM 176 CZ TYR A 29 -14.124 -4.777 3.999 1.00 0.00 C ATOM 177 OH TYR A 29 -15.501 -4.759 4.011 1.00 0.00 O ATOM 0 H TYR A 29 -7.406 -5.039 4.732 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.477 -2.953 5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.476 -4.427 3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.488 -5.840 4.083 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.538 -6.337 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.508 -3.252 2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.991 -6.324 5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.965 -3.235 2.530 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.825 -4.088 3.375 1.00 0.00 H new ATOM 187 N ASN A 30 -10.663 -3.942 7.038 1.00 0.00 N ATOM 188 CA ASN A 30 -11.146 -4.347 8.354 1.00 0.00 C ATOM 189 C ASN A 30 -11.307 -5.864 8.408 1.00 0.00 C ATOM 190 O ASN A 30 -12.304 -6.414 7.930 1.00 0.00 O ATOM 191 CB ASN A 30 -12.484 -3.668 8.658 1.00 0.00 C ATOM 192 CG ASN A 30 -12.926 -3.869 10.095 1.00 0.00 C ATOM 193 OD1 ASN A 30 -14.104 -4.103 10.363 1.00 0.00 O ATOM 194 ND2 ASN A 30 -11.998 -3.724 11.031 1.00 0.00 N ATOM 0 H ASN A 30 -11.219 -3.213 6.590 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.417 -4.041 9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.401 -2.601 8.453 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.248 -4.062 7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.250 -3.806 12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.032 -3.531 10.766 1.00 0.00 H new ATOM 201 N GLY A 31 -10.320 -6.531 8.989 1.00 0.00 N ATOM 202 CA GLY A 31 -10.292 -7.974 8.988 1.00 0.00 C ATOM 203 C GLY A 31 -8.957 -8.516 8.505 1.00 0.00 C ATOM 204 O GLY A 31 -8.172 -9.028 9.305 1.00 0.00 O ATOM 0 H GLY A 31 -9.532 -6.091 9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.490 -8.341 9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.090 -8.352 8.349 1.00 0.00 H new ATOM 208 N ARG A 32 -8.678 -8.375 7.206 1.00 0.00 N ATOM 209 CA ARG A 32 -7.483 -8.977 6.603 1.00 0.00 C ATOM 210 C ARG A 32 -6.951 -8.147 5.429 1.00 0.00 C ATOM 211 O ARG A 32 -7.516 -7.109 5.075 1.00 0.00 O ATOM 212 CB ARG A 32 -7.774 -10.405 6.111 1.00 0.00 C ATOM 213 CG ARG A 32 -8.069 -11.404 7.219 1.00 0.00 C ATOM 214 CD ARG A 32 -6.868 -11.611 8.126 1.00 0.00 C ATOM 215 NE ARG A 32 -7.204 -12.428 9.289 1.00 0.00 N ATOM 216 CZ ARG A 32 -6.316 -12.908 10.157 1.00 0.00 C ATOM 217 NH1 ARG A 32 -5.020 -12.673 9.994 1.00 0.00 N ATOM 218 NH2 ARG A 32 -6.729 -13.633 11.186 1.00 0.00 N ATOM 0 H ARG A 32 -9.261 -7.851 6.553 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.723 -9.004 7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.624 -10.375 5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.918 -10.760 5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.915 -11.052 7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.362 -12.358 6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.066 -12.090 7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.491 -10.643 8.458 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.188 -12.646 9.447 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.698 -12.121 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.346 -13.044 10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.724 -13.821 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.052 -14.003 11.854 1.00 0.00 H new ATOM 232 N HIS A 33 -5.852 -8.621 4.843 1.00 0.00 N ATOM 233 CA HIS A 33 -5.237 -8.004 3.669 1.00 0.00 C ATOM 234 C HIS A 33 -6.242 -7.824 2.527 1.00 0.00 C ATOM 235 O HIS A 33 -6.982 -8.746 2.181 1.00 0.00 O ATOM 236 CB HIS A 33 -4.057 -8.875 3.213 1.00 0.00 C ATOM 237 CG HIS A 33 -3.570 -8.596 1.822 1.00 0.00 C ATOM 238 ND1 HIS A 33 -3.595 -9.545 0.825 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.063 -7.476 1.258 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.129 -9.025 -0.291 1.00 0.00 C ATOM 241 NE2 HIS A 33 -2.797 -7.767 -0.059 1.00 0.00 N ATOM 0 H HIS A 33 -5.360 -9.451 5.173 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.885 -7.009 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.229 -8.733 3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.351 -9.923 3.277 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.898 -6.529 1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.034 -9.539 -1.236 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.408 -7.119 -0.744 1.00 0.00 H new ATOM 250 N TRP A 34 -6.248 -6.628 1.946 1.00 0.00 N ATOM 251 CA TRP A 34 -7.146 -6.315 0.839 1.00 0.00 C ATOM 252 C TRP A 34 -6.397 -5.724 -0.361 1.00 0.00 C ATOM 253 O TRP A 34 -6.441 -6.276 -1.458 1.00 0.00 O ATOM 254 CB TRP A 34 -8.233 -5.356 1.338 1.00 0.00 C ATOM 255 CG TRP A 34 -8.808 -4.437 0.299 1.00 0.00 C ATOM 256 CD1 TRP A 34 -8.654 -3.083 0.249 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.624 -4.792 -0.823 1.00 0.00 C ATOM 258 NE1 TRP A 34 -9.322 -2.573 -0.832 1.00 0.00 N ATOM 259 CE2 TRP A 34 -9.924 -3.599 -1.510 1.00 0.00 C ATOM 260 CE3 TRP A 34 -10.128 -5.998 -1.318 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -10.705 -3.579 -2.661 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -10.901 -5.975 -2.461 1.00 0.00 C ATOM 263 CH2 TRP A 34 -11.182 -4.774 -3.123 1.00 0.00 C ATOM 0 H TRP A 34 -5.640 -5.858 2.224 1.00 0.00 H new ATOM 0 HA TRP A 34 -7.604 -7.240 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.044 -5.945 1.767 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.818 -4.751 2.144 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -8.088 -2.498 0.959 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.364 -1.587 -1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -9.917 -6.930 -0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.926 -2.653 -3.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -11.296 -6.901 -2.852 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -11.788 -4.792 -4.017 1.00 0.00 H new ATOM 274 N GLY A 35 -5.684 -4.628 -0.145 1.00 0.00 N ATOM 275 CA GLY A 35 -5.083 -3.911 -1.256 1.00 0.00 C ATOM 276 C GLY A 35 -3.629 -4.231 -1.453 1.00 0.00 C ATOM 277 O GLY A 35 -2.920 -4.579 -0.506 1.00 0.00 O ATOM 0 H GLY A 35 -5.510 -4.222 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.627 -4.149 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.193 -2.839 -1.090 1.00 0.00 H new ATOM 281 N THR A 36 -3.199 -4.133 -2.695 1.00 0.00 N ATOM 282 CA THR A 36 -1.845 -4.383 -3.067 1.00 0.00 C ATOM 283 C THR A 36 -1.495 -3.547 -4.307 1.00 0.00 C ATOM 284 O THR A 36 -2.012 -3.791 -5.402 1.00 0.00 O ATOM 285 CB THR A 36 -1.662 -5.887 -3.355 1.00 0.00 C ATOM 286 OG1 THR A 36 -1.406 -6.616 -2.147 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.558 -6.103 -4.347 1.00 0.00 C ATOM 0 H THR A 36 -3.800 -3.873 -3.477 1.00 0.00 H new ATOM 0 HA THR A 36 -1.177 -4.100 -2.254 1.00 0.00 H new ATOM 0 HB THR A 36 -2.591 -6.264 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.876 -6.062 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.444 -7.170 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.801 -5.592 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.374 -5.704 -3.947 1.00 0.00 H new ATOM 295 N ILE A 37 -0.680 -2.518 -4.116 1.00 0.00 N ATOM 296 CA ILE A 37 -0.148 -1.755 -5.234 1.00 0.00 C ATOM 297 C ILE A 37 1.371 -1.784 -5.170 1.00 0.00 C ATOM 298 O ILE A 37 1.968 -1.230 -4.245 1.00 0.00 O ATOM 299 CB ILE A 37 -0.611 -0.271 -5.265 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.130 -0.130 -5.466 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.118 0.466 -6.377 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.958 -0.454 -4.240 1.00 0.00 C ATOM 0 H ILE A 37 -0.374 -2.194 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.532 -2.225 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.369 0.164 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.349 0.891 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.438 -0.785 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.207 1.506 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.192 0.425 -6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.108 -0.004 -7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.016 -0.328 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.773 -1.485 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.682 0.218 -3.427 1.00 0.00 H new ATOM 314 N ARG A 38 1.999 -2.429 -6.138 1.00 0.00 N ATOM 315 CA ARG A 38 3.446 -2.551 -6.134 1.00 0.00 C ATOM 316 C ARG A 38 4.075 -1.244 -6.604 1.00 0.00 C ATOM 317 O ARG A 38 4.246 -1.008 -7.799 1.00 0.00 O ATOM 318 CB ARG A 38 3.897 -3.737 -6.989 1.00 0.00 C ATOM 319 CG ARG A 38 5.372 -4.072 -6.827 1.00 0.00 C ATOM 320 CD ARG A 38 5.636 -5.559 -7.024 1.00 0.00 C ATOM 321 NE ARG A 38 5.241 -6.022 -8.349 1.00 0.00 N ATOM 322 CZ ARG A 38 4.920 -7.284 -8.637 1.00 0.00 C ATOM 323 NH1 ARG A 38 4.968 -8.224 -7.698 1.00 0.00 N ATOM 324 NH2 ARG A 38 4.549 -7.603 -9.869 1.00 0.00 N ATOM 0 H ARG A 38 1.534 -2.873 -6.930 1.00 0.00 H new ATOM 0 HA ARG A 38 3.784 -2.745 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.302 -4.612 -6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.695 -3.517 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.957 -3.500 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.707 -3.771 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.697 -5.760 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.093 -6.125 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 38 5.208 -5.337 -9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.252 -7.982 -6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.721 -9.187 -7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.510 -6.885 -10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.303 -8.567 -10.094 1.00 0.00 H new ATOM 338 N LYS A 39 4.404 -0.401 -5.637 1.00 0.00 N ATOM 339 CA LYS A 39 4.886 0.945 -5.896 1.00 0.00 C ATOM 340 C LYS A 39 6.317 1.093 -5.393 1.00 0.00 C ATOM 341 O LYS A 39 6.736 0.397 -4.466 1.00 0.00 O ATOM 342 CB LYS A 39 3.969 1.949 -5.188 1.00 0.00 C ATOM 343 CG LYS A 39 4.302 3.411 -5.449 1.00 0.00 C ATOM 344 CD LYS A 39 4.016 3.820 -6.889 1.00 0.00 C ATOM 345 CE LYS A 39 2.552 3.621 -7.249 1.00 0.00 C ATOM 346 NZ LYS A 39 2.199 4.276 -8.536 1.00 0.00 N ATOM 0 H LYS A 39 4.343 -0.634 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 39 4.876 1.138 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.941 1.764 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.014 1.767 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.723 4.040 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.354 3.587 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.287 4.866 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.640 3.235 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.337 2.554 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.925 4.024 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.192 4.115 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.379 5.298 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.778 3.874 -9.301 1.00 0.00 H new ATOM 360 N LYS A 40 7.056 1.996 -6.011 1.00 0.00 N ATOM 361 CA LYS A 40 8.449 2.234 -5.664 1.00 0.00 C ATOM 362 C LYS A 40 8.552 3.115 -4.421 1.00 0.00 C ATOM 363 O LYS A 40 7.677 3.946 -4.166 1.00 0.00 O ATOM 364 CB LYS A 40 9.146 2.903 -6.845 1.00 0.00 C ATOM 365 CG LYS A 40 8.921 2.173 -8.158 1.00 0.00 C ATOM 366 CD LYS A 40 9.493 2.933 -9.339 1.00 0.00 C ATOM 367 CE LYS A 40 11.001 3.052 -9.251 1.00 0.00 C ATOM 368 NZ LYS A 40 11.578 3.584 -10.511 1.00 0.00 N ATOM 0 H LYS A 40 6.710 2.586 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 40 8.933 1.283 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.786 3.928 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.216 2.958 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.380 1.186 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.852 2.020 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.221 2.425 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.051 3.929 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.268 3.707 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.432 2.074 -9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.611 3.653 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.343 2.945 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.184 4.527 -10.702 1.00 0.00 H new ATOM 382 N ALA A 41 9.610 2.915 -3.645 1.00 0.00 N ATOM 383 CA ALA A 41 9.844 3.710 -2.447 1.00 0.00 C ATOM 384 C ALA A 41 10.124 5.161 -2.810 1.00 0.00 C ATOM 385 O ALA A 41 10.858 5.446 -3.757 1.00 0.00 O ATOM 386 CB ALA A 41 10.996 3.132 -1.640 1.00 0.00 C ATOM 0 H ALA A 41 10.321 2.207 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 41 8.943 3.678 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.156 3.739 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.757 2.110 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.901 3.132 -2.247 1.00 0.00 H new ATOM 392 N GLY A 42 9.529 6.069 -2.052 1.00 0.00 N ATOM 393 CA GLY A 42 9.674 7.485 -2.330 1.00 0.00 C ATOM 394 C GLY A 42 8.509 8.029 -3.127 1.00 0.00 C ATOM 395 O GLY A 42 8.257 9.235 -3.137 1.00 0.00 O ATOM 0 H GLY A 42 8.945 5.850 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.757 8.032 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.600 7.653 -2.880 1.00 0.00 H new ATOM 399 N TRP A 43 7.794 7.135 -3.788 1.00 0.00 N ATOM 400 CA TRP A 43 6.643 7.517 -4.585 1.00 0.00 C ATOM 401 C TRP A 43 5.366 7.349 -3.778 1.00 0.00 C ATOM 402 O TRP A 43 5.169 6.328 -3.113 1.00 0.00 O ATOM 403 CB TRP A 43 6.570 6.674 -5.862 1.00 0.00 C ATOM 404 CG TRP A 43 7.704 6.917 -6.812 1.00 0.00 C ATOM 405 CD1 TRP A 43 8.940 6.338 -6.783 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.703 7.805 -7.936 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.706 6.808 -7.821 1.00 0.00 N ATOM 408 CE2 TRP A 43 8.969 7.711 -8.542 1.00 0.00 C ATOM 409 CE3 TRP A 43 6.755 8.670 -8.490 1.00 0.00 C ATOM 410 CZ2 TRP A 43 9.311 8.448 -9.672 1.00 0.00 C ATOM 411 CZ3 TRP A 43 7.095 9.400 -9.613 1.00 0.00 C ATOM 412 CH2 TRP A 43 8.364 9.285 -10.194 1.00 0.00 C ATOM 0 H TRP A 43 7.992 6.134 -3.788 1.00 0.00 H new ATOM 0 HA TRP A 43 6.750 8.565 -4.865 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.556 5.619 -5.589 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.630 6.884 -6.372 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.268 5.615 -6.050 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.667 6.530 -8.023 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.774 8.766 -8.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.290 8.362 -10.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.370 10.071 -10.050 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.599 9.869 -11.072 1.00 0.00 H new ATOM 423 N ALA A 44 4.515 8.362 -3.818 1.00 0.00 N ATOM 424 CA ALA A 44 3.233 8.310 -3.147 1.00 0.00 C ATOM 425 C ALA A 44 2.290 7.373 -3.889 1.00 0.00 C ATOM 426 O ALA A 44 2.141 7.467 -5.110 1.00 0.00 O ATOM 427 CB ALA A 44 2.636 9.702 -3.051 1.00 0.00 C ATOM 0 H ALA A 44 4.695 9.235 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 44 3.378 7.926 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.672 9.650 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.308 10.348 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.498 10.109 -4.053 1.00 0.00 H new ATOM 433 N VAL A 45 1.666 6.465 -3.161 1.00 0.00 N ATOM 434 CA VAL A 45 0.764 5.502 -3.761 1.00 0.00 C ATOM 435 C VAL A 45 -0.653 5.709 -3.244 1.00 0.00 C ATOM 436 O VAL A 45 -0.858 6.051 -2.076 1.00 0.00 O ATOM 437 CB VAL A 45 1.219 4.050 -3.485 1.00 0.00 C ATOM 438 CG1 VAL A 45 1.181 3.727 -2.001 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.366 3.067 -4.259 1.00 0.00 C ATOM 0 H VAL A 45 1.769 6.375 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 45 0.780 5.662 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 45 2.252 3.960 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.507 2.699 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.845 4.404 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.163 3.846 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.702 2.051 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.676 3.173 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.457 3.268 -5.326 1.00 0.00 H new ATOM 449 N ARG A 46 -1.625 5.520 -4.117 1.00 0.00 N ATOM 450 CA ARG A 46 -3.012 5.683 -3.732 1.00 0.00 C ATOM 451 C ARG A 46 -3.619 4.334 -3.365 1.00 0.00 C ATOM 452 O ARG A 46 -3.278 3.304 -3.950 1.00 0.00 O ATOM 453 CB ARG A 46 -3.819 6.367 -4.853 1.00 0.00 C ATOM 454 CG ARG A 46 -4.424 5.431 -5.901 1.00 0.00 C ATOM 455 CD ARG A 46 -3.374 4.621 -6.649 1.00 0.00 C ATOM 456 NE ARG A 46 -3.936 3.943 -7.811 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.294 3.002 -8.494 1.00 0.00 C ATOM 458 NH1 ARG A 46 -2.087 2.618 -8.107 1.00 0.00 N ATOM 459 NH2 ARG A 46 -3.859 2.442 -9.554 1.00 0.00 N ATOM 0 H ARG A 46 -1.480 5.255 -5.091 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.054 6.329 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.625 6.941 -4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.169 7.079 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.121 4.750 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.000 6.018 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.567 5.280 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.936 3.884 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.873 4.206 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.654 3.045 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.590 1.896 -8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.791 2.733 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.362 1.720 -10.075 1.00 0.00 H new ATOM 473 N PHE A 47 -4.478 4.342 -2.370 1.00 0.00 N ATOM 474 CA PHE A 47 -5.242 3.166 -2.012 1.00 0.00 C ATOM 475 C PHE A 47 -6.717 3.487 -2.120 1.00 0.00 C ATOM 476 O PHE A 47 -7.152 4.562 -1.707 1.00 0.00 O ATOM 477 CB PHE A 47 -4.903 2.707 -0.598 1.00 0.00 C ATOM 478 CG PHE A 47 -3.481 2.265 -0.437 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.061 1.047 -0.943 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.567 3.061 0.230 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.757 0.630 -0.785 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.262 2.649 0.389 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.856 1.433 -0.118 1.00 0.00 C ATOM 0 H PHE A 47 -4.667 5.159 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.990 2.354 -2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.102 3.522 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.564 1.885 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.763 0.416 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.879 4.014 0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.442 -0.323 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.557 3.279 0.911 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.167 1.110 0.007 1.00 0.00 H new ATOM 493 N TYR A 48 -7.485 2.567 -2.665 1.00 0.00 N ATOM 494 CA TYR A 48 -8.884 2.829 -2.940 1.00 0.00 C ATOM 495 C TYR A 48 -9.732 1.589 -2.723 1.00 0.00 C ATOM 496 O TYR A 48 -9.235 0.459 -2.739 1.00 0.00 O ATOM 497 CB TYR A 48 -9.045 3.342 -4.376 1.00 0.00 C ATOM 498 CG TYR A 48 -8.401 2.455 -5.423 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.057 2.596 -5.749 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.134 1.479 -6.083 1.00 0.00 C ATOM 501 CE1 TYR A 48 -6.465 1.789 -6.700 1.00 0.00 C ATOM 502 CE2 TYR A 48 -8.548 0.669 -7.037 1.00 0.00 C ATOM 503 CZ TYR A 48 -7.214 0.829 -7.341 1.00 0.00 C ATOM 504 OH TYR A 48 -6.625 0.022 -8.290 1.00 0.00 O ATOM 0 H TYR A 48 -7.167 1.634 -2.926 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.231 3.593 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.107 3.438 -4.600 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.613 4.340 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.466 3.350 -5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.180 1.350 -5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.419 1.911 -6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.133 -0.086 -7.542 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.290 -0.603 -8.646 1.00 0.00 H new ATOM 514 N GLU A 49 -11.010 1.821 -2.503 1.00 0.00 N ATOM 515 CA GLU A 49 -11.974 0.753 -2.322 1.00 0.00 C ATOM 516 C GLU A 49 -12.703 0.485 -3.630 1.00 0.00 C ATOM 517 O GLU A 49 -13.242 1.403 -4.251 1.00 0.00 O ATOM 518 CB GLU A 49 -12.985 1.134 -1.234 1.00 0.00 C ATOM 519 CG GLU A 49 -13.717 2.431 -1.537 1.00 0.00 C ATOM 520 CD GLU A 49 -14.858 2.729 -0.585 1.00 0.00 C ATOM 521 OE1 GLU A 49 -14.911 2.137 0.511 1.00 0.00 O ATOM 522 OE2 GLU A 49 -15.721 3.560 -0.932 1.00 0.00 O ATOM 0 H GLU A 49 -11.411 2.757 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.445 -0.149 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.712 0.330 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.466 1.229 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.004 3.255 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.107 2.388 -2.554 1.00 0.00 H new ATOM 529 N GLU A 50 -12.696 -0.759 -4.061 1.00 0.00 N ATOM 530 CA GLU A 50 -13.486 -1.155 -5.209 1.00 0.00 C ATOM 531 C GLU A 50 -14.448 -2.264 -4.815 1.00 0.00 C ATOM 532 O GLU A 50 -14.068 -3.426 -4.658 1.00 0.00 O ATOM 533 CB GLU A 50 -12.612 -1.561 -6.404 1.00 0.00 C ATOM 534 CG GLU A 50 -11.484 -2.529 -6.088 1.00 0.00 C ATOM 535 CD GLU A 50 -10.715 -2.934 -7.332 1.00 0.00 C ATOM 536 OE1 GLU A 50 -9.950 -2.101 -7.866 1.00 0.00 O ATOM 537 OE2 GLU A 50 -10.885 -4.079 -7.798 1.00 0.00 O ATOM 0 H GLU A 50 -12.154 -1.511 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.064 -0.291 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.251 -2.010 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.183 -0.660 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.801 -2.069 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.894 -3.419 -5.610 1.00 0.00 H new ATOM 544 N LYS A 51 -15.694 -1.877 -4.626 1.00 0.00 N ATOM 545 CA LYS A 51 -16.745 -2.793 -4.225 1.00 0.00 C ATOM 546 C LYS A 51 -17.788 -2.874 -5.330 1.00 0.00 C ATOM 547 O LYS A 51 -17.950 -1.920 -6.089 1.00 0.00 O ATOM 548 CB LYS A 51 -17.369 -2.317 -2.908 1.00 0.00 C ATOM 549 CG LYS A 51 -16.490 -2.600 -1.698 1.00 0.00 C ATOM 550 CD LYS A 51 -16.955 -1.855 -0.457 1.00 0.00 C ATOM 551 CE LYS A 51 -16.578 -0.384 -0.522 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.871 0.329 0.749 1.00 0.00 N ATOM 0 H LYS A 51 -16.008 -0.914 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.333 -3.789 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.560 -1.246 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.334 -2.806 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.488 -3.671 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.462 -2.317 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.036 -1.951 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.511 -2.308 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.516 -0.293 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.122 0.093 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.070 0.945 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.728 0.906 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.020 -0.364 1.510 1.00 0.00 H new ATOM 566 N PRO A 52 -18.488 -4.016 -5.446 1.00 0.00 N ATOM 567 CA PRO A 52 -19.457 -4.252 -6.521 1.00 0.00 C ATOM 568 C PRO A 52 -20.469 -3.120 -6.662 1.00 0.00 C ATOM 569 O PRO A 52 -21.262 -2.856 -5.753 1.00 0.00 O ATOM 570 CB PRO A 52 -20.167 -5.551 -6.104 1.00 0.00 C ATOM 571 CG PRO A 52 -19.748 -5.809 -4.693 1.00 0.00 C ATOM 572 CD PRO A 52 -18.401 -5.169 -4.541 1.00 0.00 C ATOM 0 HA PRO A 52 -18.963 -4.314 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.249 -5.446 -6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.882 -6.378 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.464 -5.384 -3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.697 -6.879 -4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.212 -4.863 -3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.596 -5.847 -4.825 1.00 0.00 H new ATOM 580 N GLY A 53 -20.429 -2.455 -7.810 1.00 0.00 N ATOM 581 CA GLY A 53 -21.357 -1.380 -8.084 1.00 0.00 C ATOM 582 C GLY A 53 -20.788 -0.006 -7.788 1.00 0.00 C ATOM 583 O GLY A 53 -21.271 0.997 -8.314 1.00 0.00 O ATOM 0 H GLY A 53 -19.764 -2.645 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.654 -1.424 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.259 -1.528 -7.490 1.00 0.00 H new ATOM 587 N GLN A 54 -19.758 0.043 -6.963 1.00 0.00 N ATOM 588 CA GLN A 54 -19.228 1.313 -6.491 1.00 0.00 C ATOM 589 C GLN A 54 -17.953 1.710 -7.224 1.00 0.00 C ATOM 590 O GLN A 54 -17.129 0.863 -7.577 1.00 0.00 O ATOM 591 CB GLN A 54 -18.931 1.237 -4.996 1.00 0.00 C ATOM 592 CG GLN A 54 -20.144 0.946 -4.134 1.00 0.00 C ATOM 593 CD GLN A 54 -19.843 1.135 -2.662 1.00 0.00 C ATOM 594 OE1 GLN A 54 -20.417 0.472 -1.800 1.00 0.00 O ATOM 595 NE2 GLN A 54 -18.934 2.052 -2.366 1.00 0.00 N ATOM 0 H GLN A 54 -19.271 -0.779 -6.605 1.00 0.00 H new ATOM 0 HA GLN A 54 -19.989 2.068 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.184 0.462 -4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.490 2.181 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.964 1.603 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -20.478 -0.077 -4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -18.481 2.580 -3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -18.687 2.230 -1.392 1.00 0.00 H new ATOM 604 N PRO A 55 -17.788 3.019 -7.469 1.00 0.00 N ATOM 605 CA PRO A 55 -16.533 3.591 -7.950 1.00 0.00 C ATOM 606 C PRO A 55 -15.478 3.547 -6.859 1.00 0.00 C ATOM 607 O PRO A 55 -15.787 3.346 -5.683 1.00 0.00 O ATOM 608 CB PRO A 55 -16.888 5.045 -8.296 1.00 0.00 C ATOM 609 CG PRO A 55 -18.379 5.113 -8.264 1.00 0.00 C ATOM 610 CD PRO A 55 -18.819 4.051 -7.303 1.00 0.00 C ATOM 0 HA PRO A 55 -16.124 3.047 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.449 5.737 -7.578 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -16.504 5.319 -9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.718 6.097 -7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -18.799 4.941 -9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -18.859 4.423 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -19.813 3.673 -7.544 1.00 0.00 H new ATOM 618 N LYS A 56 -14.244 3.766 -7.248 1.00 0.00 N ATOM 619 CA LYS A 56 -13.122 3.521 -6.369 1.00 0.00 C ATOM 620 C LYS A 56 -12.713 4.783 -5.629 1.00 0.00 C ATOM 621 O LYS A 56 -12.195 5.734 -6.219 1.00 0.00 O ATOM 622 CB LYS A 56 -11.981 2.932 -7.184 1.00 0.00 C ATOM 623 CG LYS A 56 -12.392 1.638 -7.866 1.00 0.00 C ATOM 624 CD LYS A 56 -11.469 1.278 -9.005 1.00 0.00 C ATOM 625 CE LYS A 56 -11.807 -0.090 -9.569 1.00 0.00 C ATOM 626 NZ LYS A 56 -10.628 -0.736 -10.199 1.00 0.00 N ATOM 0 H LYS A 56 -13.990 4.115 -8.172 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.407 2.803 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.659 3.654 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.126 2.746 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.397 0.829 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.411 1.735 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.547 2.029 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.436 1.287 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.187 -0.728 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.604 0.008 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.937 -1.304 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.962 -0.005 -10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.158 -1.352 -9.506 1.00 0.00 H new ATOM 640 N ARG A 57 -12.963 4.773 -4.329 1.00 0.00 N ATOM 641 CA ARG A 57 -12.742 5.935 -3.480 1.00 0.00 C ATOM 642 C ARG A 57 -11.442 5.795 -2.713 1.00 0.00 C ATOM 643 O ARG A 57 -11.075 4.696 -2.300 1.00 0.00 O ATOM 644 CB ARG A 57 -13.898 6.096 -2.494 1.00 0.00 C ATOM 645 CG ARG A 57 -13.654 7.171 -1.444 1.00 0.00 C ATOM 646 CD ARG A 57 -14.794 7.245 -0.451 1.00 0.00 C ATOM 647 NE ARG A 57 -15.040 5.953 0.196 1.00 0.00 N ATOM 648 CZ ARG A 57 -15.167 5.779 1.513 1.00 0.00 C ATOM 649 NH1 ARG A 57 -15.066 6.815 2.340 1.00 0.00 N ATOM 650 NH2 ARG A 57 -15.383 4.562 2.004 1.00 0.00 N ATOM 0 H ARG A 57 -13.325 3.959 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.685 6.817 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.806 6.338 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.074 5.144 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.724 6.961 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.532 8.138 -1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.566 7.994 0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.699 7.574 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.120 5.130 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.891 7.749 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.164 6.676 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.451 3.763 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.480 4.428 3.010 1.00 0.00 H new ATOM 664 N LEU A 58 -10.759 6.916 -2.522 1.00 0.00 N ATOM 665 CA LEU A 58 -9.499 6.933 -1.798 1.00 0.00 C ATOM 666 C LEU A 58 -9.698 6.546 -0.344 1.00 0.00 C ATOM 667 O LEU A 58 -10.507 7.143 0.367 1.00 0.00 O ATOM 668 CB LEU A 58 -8.844 8.311 -1.881 1.00 0.00 C ATOM 669 CG LEU A 58 -7.986 8.547 -3.122 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.357 9.931 -3.086 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.917 7.467 -3.228 1.00 0.00 C ATOM 0 H LEU A 58 -11.060 7.829 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.842 6.200 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.626 9.070 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.223 8.455 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.623 8.493 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.750 10.078 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.142 10.687 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.728 10.022 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.309 7.642 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.282 7.495 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.393 6.489 -3.302 1.00 0.00 H new ATOM 683 N VAL A 59 -8.955 5.545 0.089 1.00 0.00 N ATOM 684 CA VAL A 59 -9.045 5.068 1.459 1.00 0.00 C ATOM 685 C VAL A 59 -7.770 5.395 2.223 1.00 0.00 C ATOM 686 O VAL A 59 -7.754 5.384 3.455 1.00 0.00 O ATOM 687 CB VAL A 59 -9.315 3.550 1.529 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.611 3.211 0.814 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.158 2.759 0.943 1.00 0.00 C ATOM 0 H VAL A 59 -8.280 5.044 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.889 5.581 1.919 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.412 3.271 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.788 2.137 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.437 3.741 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.539 3.511 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.377 1.693 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.017 3.039 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.248 2.976 1.503 1.00 0.00 H new ATOM 699 N ALA A 60 -6.704 5.672 1.475 1.00 0.00 N ATOM 700 CA ALA A 60 -5.433 6.063 2.057 1.00 0.00 C ATOM 701 C ALA A 60 -4.445 6.497 0.991 1.00 0.00 C ATOM 702 O ALA A 60 -4.371 5.913 -0.088 1.00 0.00 O ATOM 703 CB ALA A 60 -4.840 4.925 2.864 1.00 0.00 C ATOM 0 H ALA A 60 -6.702 5.631 0.456 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.626 6.910 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.888 5.239 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.525 4.652 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.680 4.064 2.215 1.00 0.00 H new ATOM 709 N ILE A 61 -3.693 7.530 1.299 1.00 0.00 N ATOM 710 CA ILE A 61 -2.577 7.933 0.468 1.00 0.00 C ATOM 711 C ILE A 61 -1.311 7.696 1.263 1.00 0.00 C ATOM 712 O ILE A 61 -1.085 8.334 2.288 1.00 0.00 O ATOM 713 CB ILE A 61 -2.642 9.415 0.026 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.951 9.715 -0.719 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.448 9.743 -0.858 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.132 9.967 0.190 1.00 0.00 C ATOM 0 H ILE A 61 -3.835 8.111 2.125 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.604 7.344 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.613 10.040 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.803 10.587 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.184 8.877 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.499 10.787 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.526 9.574 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.462 9.103 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.017 10.171 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.309 9.087 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.922 10.824 0.829 1.00 0.00 H new ATOM 728 N CYS A 62 -0.499 6.763 0.821 1.00 0.00 N ATOM 729 CA CYS A 62 0.617 6.322 1.631 1.00 0.00 C ATOM 730 C CYS A 62 1.883 6.246 0.799 1.00 0.00 C ATOM 731 O CYS A 62 1.829 6.249 -0.429 1.00 0.00 O ATOM 732 CB CYS A 62 0.288 4.958 2.252 1.00 0.00 C ATOM 733 SG CYS A 62 1.257 4.555 3.734 1.00 0.00 S ATOM 0 H CYS A 62 -0.587 6.299 -0.083 1.00 0.00 H new ATOM 0 HA CYS A 62 0.788 7.043 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.771 4.935 2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.452 4.183 1.504 1.00 0.00 H new ATOM 738 N LYS A 63 3.020 6.206 1.464 1.00 0.00 N ATOM 739 CA LYS A 63 4.295 6.078 0.789 1.00 0.00 C ATOM 740 C LYS A 63 5.323 5.530 1.760 1.00 0.00 C ATOM 741 O LYS A 63 5.108 5.531 2.972 1.00 0.00 O ATOM 742 CB LYS A 63 4.757 7.428 0.227 1.00 0.00 C ATOM 743 CG LYS A 63 5.172 8.431 1.291 1.00 0.00 C ATOM 744 CD LYS A 63 5.514 9.778 0.677 1.00 0.00 C ATOM 745 CE LYS A 63 4.271 10.511 0.195 1.00 0.00 C ATOM 746 NZ LYS A 63 4.608 11.812 -0.442 1.00 0.00 N ATOM 0 H LYS A 63 3.086 6.261 2.480 1.00 0.00 H new ATOM 0 HA LYS A 63 4.183 5.390 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.597 7.261 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.951 7.857 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.365 8.553 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.034 8.049 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.035 10.391 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.198 9.633 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.734 9.886 -0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.600 10.682 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.735 12.281 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.098 12.419 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.227 11.647 -1.261 1.00 0.00 H new ATOM 760 N ASN A 64 6.425 5.042 1.225 1.00 0.00 N ATOM 761 CA ASN A 64 7.477 4.479 2.051 1.00 0.00 C ATOM 762 C ASN A 64 8.348 5.596 2.599 1.00 0.00 C ATOM 763 O ASN A 64 8.730 6.496 1.851 1.00 0.00 O ATOM 764 CB ASN A 64 8.320 3.481 1.250 1.00 0.00 C ATOM 765 CG ASN A 64 9.434 2.867 2.075 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.233 1.874 2.768 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.615 3.450 1.997 1.00 0.00 N ATOM 0 H ASN A 64 6.616 5.024 0.223 1.00 0.00 H new ATOM 0 HA ASN A 64 7.023 3.941 2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.675 2.689 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.749 3.986 0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.404 3.077 2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.739 4.274 1.409 1.00 0.00 H new ATOM 774 N ALA A 65 8.624 5.538 3.902 1.00 0.00 N ATOM 775 CA ALA A 65 9.342 6.599 4.619 1.00 0.00 C ATOM 776 C ALA A 65 10.530 7.145 3.832 1.00 0.00 C ATOM 777 O ALA A 65 10.628 8.353 3.595 1.00 0.00 O ATOM 778 CB ALA A 65 9.809 6.078 5.965 1.00 0.00 C ATOM 0 H ALA A 65 8.356 4.752 4.494 1.00 0.00 H new ATOM 0 HA ALA A 65 8.645 7.426 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.342 6.867 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.946 5.764 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.475 5.228 5.815 1.00 0.00 H new ATOM 784 N SER A 66 11.420 6.257 3.426 1.00 0.00 N ATOM 785 CA SER A 66 12.593 6.642 2.661 1.00 0.00 C ATOM 786 C SER A 66 12.340 6.483 1.163 1.00 0.00 C ATOM 787 O SER A 66 11.593 5.600 0.740 1.00 0.00 O ATOM 788 CB SER A 66 13.790 5.790 3.090 1.00 0.00 C ATOM 789 OG SER A 66 14.057 5.959 4.470 1.00 0.00 O ATOM 0 H SER A 66 11.352 5.257 3.615 1.00 0.00 H new ATOM 0 HA SER A 66 12.810 7.692 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.589 4.740 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.668 6.069 2.508 1.00 0.00 H new ATOM 0 HG SER A 66 14.977 5.680 4.662 1.00 0.00 H new ATOM 795 N PRO A 67 12.942 7.355 0.343 1.00 0.00 N ATOM 796 CA PRO A 67 12.821 7.286 -1.111 1.00 0.00 C ATOM 797 C PRO A 67 13.857 6.356 -1.740 1.00 0.00 C ATOM 798 O PRO A 67 14.034 6.340 -2.960 1.00 0.00 O ATOM 799 CB PRO A 67 13.073 8.731 -1.532 1.00 0.00 C ATOM 800 CG PRO A 67 14.024 9.265 -0.513 1.00 0.00 C ATOM 801 CD PRO A 67 13.766 8.504 0.768 1.00 0.00 C ATOM 0 HA PRO A 67 11.859 6.886 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.498 8.783 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.147 9.306 -1.548 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.055 9.133 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.871 10.334 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.697 8.177 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 67 13.244 9.120 1.500 1.00 0.00 H new ATOM 809 N VAL A 68 14.544 5.590 -0.905 1.00 0.00 N ATOM 810 CA VAL A 68 15.567 4.672 -1.383 1.00 0.00 C ATOM 811 C VAL A 68 15.254 3.245 -0.948 1.00 0.00 C ATOM 812 O VAL A 68 14.844 2.420 -1.761 1.00 0.00 O ATOM 813 CB VAL A 68 16.972 5.059 -0.881 1.00 0.00 C ATOM 814 CG1 VAL A 68 18.028 4.270 -1.638 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.212 6.556 -1.026 1.00 0.00 C ATOM 0 H VAL A 68 14.412 5.586 0.106 1.00 0.00 H new ATOM 0 HA VAL A 68 15.563 4.735 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 68 17.040 4.814 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.018 4.549 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.870 3.204 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.954 4.491 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.211 6.801 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.127 6.838 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.471 7.102 -0.442 1.00 0.00 H new ATOM 825 N HIS A 69 15.443 2.959 0.335 1.00 0.00 N ATOM 826 CA HIS A 69 15.166 1.630 0.870 1.00 0.00 C ATOM 827 C HIS A 69 13.770 1.600 1.469 1.00 0.00 C ATOM 828 O HIS A 69 13.191 2.650 1.755 1.00 0.00 O ATOM 829 CB HIS A 69 16.188 1.239 1.944 1.00 0.00 C ATOM 830 CG HIS A 69 17.617 1.365 1.510 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.631 1.721 2.370 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.200 1.186 0.300 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.772 1.760 1.712 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.539 1.440 0.457 1.00 0.00 N ATOM 0 H HIS A 69 15.786 3.628 1.024 1.00 0.00 H new ATOM 0 HA HIS A 69 15.236 0.914 0.051 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.031 1.864 2.823 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.002 0.209 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.704 0.898 -0.615 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.735 2.012 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.241 1.389 -0.281 1.00 0.00 H new ATOM 843 N CYS A 70 13.245 0.408 1.686 1.00 0.00 N ATOM 844 CA CYS A 70 11.900 0.252 2.206 1.00 0.00 C ATOM 845 C CYS A 70 11.942 0.012 3.710 1.00 0.00 C ATOM 846 O CYS A 70 12.633 -0.886 4.189 1.00 0.00 O ATOM 847 CB CYS A 70 11.190 -0.908 1.504 1.00 0.00 C ATOM 848 SG CYS A 70 9.434 -1.065 1.915 1.00 0.00 S ATOM 0 H CYS A 70 13.733 -0.470 1.509 1.00 0.00 H new ATOM 0 HA CYS A 70 11.343 1.169 2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.289 -0.780 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.696 -1.838 1.762 1.00 0.00 H new ATOM 0 HG CYS A 70 8.990 0.071 2.365 1.00 0.00 H new ATOM 854 N ASN A 71 11.209 0.833 4.449 1.00 0.00 N ATOM 855 CA ASN A 71 11.182 0.734 5.904 1.00 0.00 C ATOM 856 C ASN A 71 9.759 0.463 6.373 1.00 0.00 C ATOM 857 O ASN A 71 9.393 -0.675 6.664 1.00 0.00 O ATOM 858 CB ASN A 71 11.691 2.025 6.563 1.00 0.00 C ATOM 859 CG ASN A 71 13.069 2.454 6.090 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.907 1.631 5.720 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.314 3.753 6.117 1.00 0.00 N ATOM 0 H ASN A 71 10.624 1.576 4.066 1.00 0.00 H new ATOM 0 HA ASN A 71 11.838 -0.086 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.982 2.828 6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.716 1.885 7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.225 4.106 5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.592 4.402 6.430 1.00 0.00 H new ATOM 868 N TYR A 72 8.962 1.523 6.429 1.00 0.00 N ATOM 869 CA TYR A 72 7.563 1.425 6.815 1.00 0.00 C ATOM 870 C TYR A 72 6.722 2.335 5.934 1.00 0.00 C ATOM 871 O TYR A 72 7.254 3.085 5.109 1.00 0.00 O ATOM 872 CB TYR A 72 7.375 1.811 8.286 1.00 0.00 C ATOM 873 CG TYR A 72 8.059 0.878 9.258 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.589 -0.414 9.453 1.00 0.00 C ATOM 875 CD2 TYR A 72 9.174 1.288 9.978 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.208 -1.271 10.337 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.801 0.434 10.867 1.00 0.00 C ATOM 878 CZ TYR A 72 9.312 -0.844 11.044 1.00 0.00 C ATOM 879 OH TYR A 72 9.930 -1.699 11.927 1.00 0.00 O ATOM 0 H TYR A 72 9.267 2.471 6.209 1.00 0.00 H new ATOM 0 HA TYR A 72 7.241 0.392 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.757 2.821 8.438 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.309 1.836 8.511 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.724 -0.753 8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.557 2.289 9.842 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.830 -2.273 10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.668 0.765 11.419 1.00 0.00 H new ATOM 0 HH TYR A 72 10.692 -1.245 12.343 1.00 0.00 H new ATOM 889 N LEU A 73 5.415 2.285 6.131 1.00 0.00 N ATOM 890 CA LEU A 73 4.488 3.046 5.313 1.00 0.00 C ATOM 891 C LEU A 73 3.922 4.219 6.089 1.00 0.00 C ATOM 892 O LEU A 73 3.297 4.041 7.133 1.00 0.00 O ATOM 893 CB LEU A 73 3.341 2.160 4.819 1.00 0.00 C ATOM 894 CG LEU A 73 3.720 1.116 3.773 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.466 0.488 3.174 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.592 1.742 2.695 1.00 0.00 C ATOM 0 H LEU A 73 4.971 1.721 6.856 1.00 0.00 H new ATOM 0 HA LEU A 73 5.041 3.422 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.906 1.648 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.564 2.801 4.402 1.00 0.00 H new ATOM 0 HG LEU A 73 4.295 0.325 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.751 -0.255 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.887 0.007 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.862 1.262 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.855 0.986 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.046 2.550 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.501 2.139 3.147 1.00 0.00 H new ATOM 908 N LYS A 74 4.151 5.418 5.580 1.00 0.00 N ATOM 909 CA LYS A 74 3.620 6.620 6.200 1.00 0.00 C ATOM 910 C LYS A 74 2.377 7.057 5.438 1.00 0.00 C ATOM 911 O LYS A 74 2.473 7.605 4.335 1.00 0.00 O ATOM 912 CB LYS A 74 4.672 7.737 6.182 1.00 0.00 C ATOM 913 CG LYS A 74 6.033 7.355 6.768 1.00 0.00 C ATOM 914 CD LYS A 74 5.992 7.147 8.280 1.00 0.00 C ATOM 915 CE LYS A 74 5.446 5.777 8.659 1.00 0.00 C ATOM 916 NZ LYS A 74 5.180 5.661 10.115 1.00 0.00 N ATOM 0 H LYS A 74 4.702 5.585 4.738 1.00 0.00 H new ATOM 0 HA LYS A 74 3.361 6.412 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.816 8.063 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.282 8.591 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.385 6.441 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.756 8.136 6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.996 7.261 8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.374 7.921 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.525 5.590 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.159 5.008 8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.810 4.712 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.063 5.813 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.480 6.376 10.398 1.00 0.00 H new ATOM 930 N CYS A 75 1.210 6.805 6.012 1.00 0.00 N ATOM 931 CA CYS A 75 -0.040 7.025 5.304 1.00 0.00 C ATOM 932 C CYS A 75 -0.768 8.265 5.801 1.00 0.00 C ATOM 933 O CYS A 75 -0.656 8.644 6.969 1.00 0.00 O ATOM 934 CB CYS A 75 -0.949 5.813 5.476 1.00 0.00 C ATOM 935 SG CYS A 75 -0.150 4.200 5.158 1.00 0.00 S ATOM 0 H CYS A 75 1.104 6.450 6.962 1.00 0.00 H new ATOM 0 HA CYS A 75 0.204 7.174 4.252 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.342 5.813 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.801 5.918 4.805 1.00 0.00 H new ATOM 940 N THR A 76 -1.519 8.887 4.905 1.00 0.00 N ATOM 941 CA THR A 76 -2.367 10.004 5.258 1.00 0.00 C ATOM 942 C THR A 76 -3.759 9.793 4.666 1.00 0.00 C ATOM 943 O THR A 76 -3.913 9.056 3.687 1.00 0.00 O ATOM 944 CB THR A 76 -1.776 11.348 4.767 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.549 12.449 5.269 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.743 11.414 3.247 1.00 0.00 C ATOM 0 H THR A 76 -1.555 8.630 3.919 1.00 0.00 H new ATOM 0 HA THR A 76 -2.432 10.053 6.345 1.00 0.00 H new ATOM 0 HB THR A 76 -0.755 11.414 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.162 13.292 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.323 12.370 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.126 10.602 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.756 11.317 2.857 1.00 0.00 H new ATOM 954 N ASN A 77 -4.753 10.431 5.273 1.00 0.00 N ATOM 955 CA ASN A 77 -6.151 10.305 4.859 1.00 0.00 C ATOM 956 C ASN A 77 -6.603 8.848 4.887 1.00 0.00 C ATOM 957 O ASN A 77 -6.688 8.187 3.854 1.00 0.00 O ATOM 958 CB ASN A 77 -6.369 10.904 3.467 1.00 0.00 C ATOM 959 CG ASN A 77 -7.832 10.910 3.057 1.00 0.00 C ATOM 960 OD1 ASN A 77 -8.728 11.004 3.898 1.00 0.00 O ATOM 961 ND2 ASN A 77 -8.083 10.822 1.762 1.00 0.00 N ATOM 0 H ASN A 77 -4.615 11.053 6.069 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.757 10.865 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.987 11.925 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.793 10.336 2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.047 10.831 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.313 10.746 1.097 1.00 0.00 H new ATOM 968 N LEU A 78 -6.880 8.360 6.083 1.00 0.00 N ATOM 969 CA LEU A 78 -7.327 6.985 6.264 1.00 0.00 C ATOM 970 C LEU A 78 -8.848 6.926 6.306 1.00 0.00 C ATOM 971 O LEU A 78 -9.495 7.763 6.943 1.00 0.00 O ATOM 972 CB LEU A 78 -6.737 6.396 7.550 1.00 0.00 C ATOM 973 CG LEU A 78 -5.210 6.319 7.588 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.735 5.854 8.955 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.696 5.387 6.499 1.00 0.00 C ATOM 0 H LEU A 78 -6.804 8.895 6.948 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.977 6.392 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.076 6.996 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.139 5.393 7.690 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.810 7.316 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.646 5.805 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.073 6.557 9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.145 4.866 9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.608 5.344 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.105 4.388 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.007 5.761 5.524 1.00 0.00 H new ATOM 987 N ALA A 79 -9.419 5.938 5.630 1.00 0.00 N ATOM 988 CA ALA A 79 -10.868 5.809 5.549 1.00 0.00 C ATOM 989 C ALA A 79 -11.405 5.014 6.734 1.00 0.00 C ATOM 990 O ALA A 79 -11.665 3.816 6.628 1.00 0.00 O ATOM 991 CB ALA A 79 -11.287 5.174 4.226 1.00 0.00 C ATOM 0 H ALA A 79 -8.902 5.215 5.130 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.301 6.809 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.373 5.089 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.945 5.796 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.843 4.182 4.142 1.00 0.00 H new ATOM 997 N ALA A 80 -11.550 5.701 7.865 1.00 0.00 N ATOM 998 CA ALA A 80 -12.059 5.105 9.100 1.00 0.00 C ATOM 999 C ALA A 80 -11.168 3.960 9.584 1.00 0.00 C ATOM 1000 O ALA A 80 -10.171 4.189 10.268 1.00 0.00 O ATOM 1001 CB ALA A 80 -13.500 4.639 8.931 1.00 0.00 C ATOM 0 H ALA A 80 -11.317 6.690 7.952 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.041 5.881 9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.852 4.200 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.129 5.490 8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.551 3.893 8.138 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.516 2.735 9.207 1.00 0.00 N ATOM 1008 CA GLY A 81 -10.747 1.582 9.626 1.00 0.00 C ATOM 1009 C GLY A 81 -9.819 1.084 8.541 1.00 0.00 C ATOM 1010 O GLY A 81 -9.024 0.171 8.763 1.00 0.00 O ATOM 0 H GLY A 81 -12.320 2.521 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.163 1.839 10.510 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.427 0.781 9.915 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.919 1.683 7.364 1.00 0.00 N ATOM 1015 CA PHE A 82 -9.069 1.307 6.249 1.00 0.00 C ATOM 1016 C PHE A 82 -7.729 2.020 6.349 1.00 0.00 C ATOM 1017 O PHE A 82 -7.654 3.248 6.253 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.750 1.629 4.917 1.00 0.00 C ATOM 1019 CG PHE A 82 -11.094 0.973 4.759 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -11.229 -0.400 4.890 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.222 1.729 4.486 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -12.463 -1.004 4.752 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.458 1.130 4.347 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.579 -0.239 4.479 1.00 0.00 C ATOM 0 H PHE A 82 -10.581 2.431 7.158 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.897 0.231 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.869 2.709 4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.101 1.313 4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.359 -1.004 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.134 2.800 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.555 -2.075 4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.329 1.732 4.135 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.545 -0.710 4.369 1.00 0.00 H new ATOM 1034 N SER A 83 -6.682 1.242 6.570 1.00 0.00 N ATOM 1035 CA SER A 83 -5.335 1.768 6.711 1.00 0.00 C ATOM 1036 C SER A 83 -4.362 0.806 6.049 1.00 0.00 C ATOM 1037 O SER A 83 -4.728 -0.317 5.733 1.00 0.00 O ATOM 1038 CB SER A 83 -4.994 1.931 8.194 1.00 0.00 C ATOM 1039 OG SER A 83 -6.026 2.623 8.881 1.00 0.00 O ATOM 0 H SER A 83 -6.743 0.227 6.657 1.00 0.00 H new ATOM 0 HA SER A 83 -5.265 2.744 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.845 0.951 8.646 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.055 2.475 8.297 1.00 0.00 H new ATOM 0 HG SER A 83 -5.786 2.713 9.827 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.132 1.235 5.831 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.148 0.387 5.173 1.00 0.00 C ATOM 1047 C ALA A 84 -1.391 -0.449 6.196 1.00 0.00 C ATOM 1048 O ALA A 84 -1.400 -0.140 7.390 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.186 1.226 4.351 1.00 0.00 C ATOM 0 H ALA A 84 -2.790 2.158 6.097 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.674 -0.290 4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.458 0.575 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.741 1.777 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.667 1.929 5.003 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.730 -1.498 5.723 1.00 0.00 N ATOM 1056 CA GLY A 85 -0.109 -2.446 6.629 1.00 0.00 C ATOM 1057 C GLY A 85 1.392 -2.587 6.438 1.00 0.00 C ATOM 1058 O GLY A 85 2.164 -2.282 7.345 1.00 0.00 O ATOM 0 H GLY A 85 -0.613 -1.709 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.307 -2.137 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.576 -3.422 6.494 1.00 0.00 H new ATOM 1062 N THR A 86 1.809 -3.059 5.271 1.00 0.00 N ATOM 1063 CA THR A 86 3.219 -3.329 5.009 1.00 0.00 C ATOM 1064 C THR A 86 3.393 -3.764 3.550 1.00 0.00 C ATOM 1065 O THR A 86 2.470 -3.613 2.748 1.00 0.00 O ATOM 1066 CB THR A 86 3.757 -4.426 5.969 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.177 -4.562 5.839 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.091 -5.771 5.703 1.00 0.00 C ATOM 0 H THR A 86 1.189 -3.264 4.487 1.00 0.00 H new ATOM 0 HA THR A 86 3.792 -2.418 5.184 1.00 0.00 H new ATOM 0 HB THR A 86 3.517 -4.114 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.497 -5.256 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.489 -6.517 6.391 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.015 -5.680 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.292 -6.080 4.677 1.00 0.00 H new ATOM 1076 N SER A 87 4.566 -4.284 3.210 1.00 0.00 N ATOM 1077 CA SER A 87 4.836 -4.769 1.861 1.00 0.00 C ATOM 1078 C SER A 87 5.544 -6.127 1.922 1.00 0.00 C ATOM 1079 O SER A 87 6.357 -6.365 2.813 1.00 0.00 O ATOM 1080 CB SER A 87 5.696 -3.754 1.107 1.00 0.00 C ATOM 1081 OG SER A 87 5.105 -2.462 1.130 1.00 0.00 O ATOM 0 H SER A 87 5.351 -4.381 3.854 1.00 0.00 H new ATOM 0 HA SER A 87 3.892 -4.893 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.689 -3.711 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.826 -4.079 0.075 1.00 0.00 H new ATOM 0 HG SER A 87 5.623 -1.855 0.561 1.00 0.00 H new ATOM 1087 N THR A 88 5.232 -7.013 0.977 1.00 0.00 N ATOM 1088 CA THR A 88 5.784 -8.369 0.972 1.00 0.00 C ATOM 1089 C THR A 88 6.130 -8.794 -0.453 1.00 0.00 C ATOM 1090 O THR A 88 6.460 -7.950 -1.288 1.00 0.00 O ATOM 1091 CB THR A 88 4.789 -9.383 1.578 1.00 0.00 C ATOM 1092 OG1 THR A 88 3.542 -9.347 0.873 1.00 0.00 O ATOM 1093 CG2 THR A 88 4.552 -9.099 3.054 1.00 0.00 C ATOM 0 H THR A 88 4.598 -6.816 0.203 1.00 0.00 H new ATOM 0 HA THR A 88 6.687 -8.359 1.583 1.00 0.00 H new ATOM 0 HB THR A 88 5.226 -10.377 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.812 -9.568 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.848 -9.827 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.496 -9.170 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.142 -8.096 3.170 1.00 0.00 H new ATOM 1101 N ASP A 89 6.084 -10.107 -0.700 1.00 0.00 N ATOM 1102 CA ASP A 89 6.217 -10.697 -2.040 1.00 0.00 C ATOM 1103 C ASP A 89 7.603 -10.484 -2.637 1.00 0.00 C ATOM 1104 O ASP A 89 8.376 -11.427 -2.758 1.00 0.00 O ATOM 1105 CB ASP A 89 5.135 -10.160 -2.981 1.00 0.00 C ATOM 1106 CG ASP A 89 5.222 -10.752 -4.374 1.00 0.00 C ATOM 1107 OD1 ASP A 89 4.754 -11.896 -4.570 1.00 0.00 O ATOM 1108 OD2 ASP A 89 5.755 -10.074 -5.278 1.00 0.00 O ATOM 0 H ASP A 89 5.951 -10.802 0.035 1.00 0.00 H new ATOM 0 HA ASP A 89 6.082 -11.772 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.153 -10.377 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.222 -9.075 -3.046 1.00 0.00 H new ATOM 1113 N VAL A 90 7.924 -9.253 -2.996 1.00 0.00 N ATOM 1114 CA VAL A 90 9.205 -8.953 -3.606 1.00 0.00 C ATOM 1115 C VAL A 90 10.316 -8.845 -2.561 1.00 0.00 C ATOM 1116 O VAL A 90 11.422 -9.341 -2.766 1.00 0.00 O ATOM 1117 CB VAL A 90 9.134 -7.657 -4.438 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.410 -7.906 -5.751 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.437 -6.556 -3.657 1.00 0.00 C ATOM 0 H VAL A 90 7.313 -8.445 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 90 9.444 -9.783 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 90 10.153 -7.336 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.369 -6.980 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.944 -8.665 -6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.396 -8.252 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.397 -5.650 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.424 -6.871 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.989 -6.355 -2.739 1.00 0.00 H new ATOM 1129 N LEU A 91 10.021 -8.195 -1.440 1.00 0.00 N ATOM 1130 CA LEU A 91 11.018 -8.012 -0.391 1.00 0.00 C ATOM 1131 C LEU A 91 10.993 -9.167 0.612 1.00 0.00 C ATOM 1132 O LEU A 91 12.026 -9.548 1.157 1.00 0.00 O ATOM 1133 CB LEU A 91 10.823 -6.655 0.303 1.00 0.00 C ATOM 1134 CG LEU A 91 9.520 -6.459 1.085 1.00 0.00 C ATOM 1135 CD1 LEU A 91 9.662 -6.986 2.502 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.128 -4.992 1.100 1.00 0.00 C ATOM 0 H LEU A 91 9.108 -7.789 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 91 12.005 -8.015 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.657 -6.501 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.885 -5.874 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 91 8.731 -7.024 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.726 -6.838 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.899 -8.050 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.463 -6.450 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.200 -4.869 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.918 -4.409 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.984 -4.643 0.077 1.00 0.00 H new ATOM 1148 N SER A 92 9.812 -9.723 0.849 1.00 0.00 N ATOM 1149 CA SER A 92 9.664 -10.791 1.830 1.00 0.00 C ATOM 1150 C SER A 92 9.777 -12.158 1.161 1.00 0.00 C ATOM 1151 O SER A 92 9.974 -13.170 1.831 1.00 0.00 O ATOM 1152 CB SER A 92 8.329 -10.655 2.568 1.00 0.00 C ATOM 1153 OG SER A 92 8.235 -11.575 3.639 1.00 0.00 O ATOM 0 H SER A 92 8.947 -9.455 0.379 1.00 0.00 H new ATOM 0 HA SER A 92 10.470 -10.705 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.224 -9.639 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.508 -10.821 1.871 1.00 0.00 H new ATOM 0 HG SER A 92 7.373 -11.463 4.092 1.00 0.00 H new