USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 692 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 50 MET CE :methyl -174:sc= 0 (180deg=-0.044) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0391) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.201) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.644 K(o=0.64,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.992 K(o=0.99,f=-3!) USER MOD Single : A 31 ASN : amide:sc= 1.01 K(o=1,f=-0.11) USER MOD Single : A 37 THR OG1 : rot -17:sc= 1.25 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 0:sc= 0 USER MOD Single : A 47 SER OG : rot -160:sc= 1 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0.127 K(o=0.13,f=-0.86) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.628 K(o=0.63,f=-0.33) USER MOD Single : A 67 THR OG1 : rot -68:sc= 1.05 USER MOD Single : A 68 ASN : amide:sc= 0.112 K(o=0.11,f=-2.7!) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= 0.355 (180deg=0.114) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 0.617 (180deg=0.386) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= 0.269 (180deg=0.133) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.754 F(o=-0.15,f=0.75) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.287 -1.232 -4.702 1.00 0.00 N ATOM 30 CA ASP A 3 -0.869 -1.527 -6.039 1.00 0.00 C ATOM 31 C ASP A 3 -2.425 -1.284 -6.039 1.00 0.00 C ATOM 32 O ASP A 3 -3.140 -2.093 -5.433 1.00 0.00 O ATOM 33 CB ASP A 3 -0.472 -2.988 -6.383 1.00 0.00 C ATOM 34 CG ASP A 3 -0.727 -3.385 -7.835 1.00 0.00 C ATOM 35 OD1 ASP A 3 0.002 -3.062 -8.766 1.00 0.00 O ATOM 36 OD2 ASP A 3 -1.851 -4.137 -7.986 1.00 0.00 O ATOM 0 HA ASP A 3 -0.482 -0.859 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.586 -3.126 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.025 -3.665 -5.731 1.00 0.00 H new ATOM 41 N PRO A 4 -3.006 -0.254 -6.731 1.00 0.00 N ATOM 42 CA PRO A 4 -4.485 -0.049 -6.801 1.00 0.00 C ATOM 43 C PRO A 4 -5.395 -1.195 -7.348 1.00 0.00 C ATOM 44 O PRO A 4 -6.504 -1.376 -6.843 1.00 0.00 O ATOM 45 CB PRO A 4 -4.612 1.246 -7.629 1.00 0.00 C ATOM 46 CG PRO A 4 -3.291 1.983 -7.417 1.00 0.00 C ATOM 47 CD PRO A 4 -2.251 0.867 -7.327 1.00 0.00 C ATOM 0 HA PRO A 4 -4.878 -0.011 -5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.776 1.025 -8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.457 1.847 -7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.077 2.662 -8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.311 2.583 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.853 0.608 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.403 1.156 -6.706 1.00 0.00 H new ATOM 55 N ALA A 5 -4.935 -1.980 -8.340 1.00 0.00 N ATOM 56 CA ALA A 5 -5.652 -3.202 -8.810 1.00 0.00 C ATOM 57 C ALA A 5 -5.790 -4.359 -7.761 1.00 0.00 C ATOM 58 O ALA A 5 -6.898 -4.866 -7.558 1.00 0.00 O ATOM 59 CB ALA A 5 -4.977 -3.652 -10.119 1.00 0.00 C ATOM 0 H ALA A 5 -4.065 -1.796 -8.840 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.696 -2.936 -8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.474 -4.546 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.052 -2.856 -10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.927 -3.874 -9.929 1.00 0.00 H new ATOM 65 N ALA A 6 -4.708 -4.728 -7.043 1.00 0.00 N ATOM 66 CA ALA A 6 -4.813 -5.517 -5.783 1.00 0.00 C ATOM 67 C ALA A 6 -5.622 -4.851 -4.618 1.00 0.00 C ATOM 68 O ALA A 6 -6.385 -5.544 -3.943 1.00 0.00 O ATOM 69 CB ALA A 6 -3.381 -5.886 -5.363 1.00 0.00 C ATOM 0 H ALA A 6 -3.751 -4.496 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.414 -6.401 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.410 -6.467 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.912 -6.477 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.804 -4.976 -5.200 1.00 0.00 H new ATOM 75 N GLY A 7 -5.518 -3.522 -4.417 1.00 0.00 N ATOM 76 CA GLY A 7 -6.459 -2.757 -3.554 1.00 0.00 C ATOM 77 C GLY A 7 -7.970 -2.803 -3.870 1.00 0.00 C ATOM 78 O GLY A 7 -8.767 -2.894 -2.940 1.00 0.00 O ATOM 0 H GLY A 7 -4.789 -2.948 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.326 -3.108 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.150 -1.712 -3.576 1.00 0.00 H new ATOM 82 N GLU A 8 -8.361 -2.787 -5.153 1.00 0.00 N ATOM 83 CA GLU A 8 -9.737 -3.154 -5.601 1.00 0.00 C ATOM 84 C GLU A 8 -10.210 -4.598 -5.201 1.00 0.00 C ATOM 85 O GLU A 8 -11.330 -4.755 -4.710 1.00 0.00 O ATOM 86 CB GLU A 8 -9.795 -2.906 -7.133 1.00 0.00 C ATOM 87 CG GLU A 8 -11.226 -2.840 -7.722 1.00 0.00 C ATOM 88 CD GLU A 8 -11.246 -2.510 -9.212 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.042 -3.618 -9.984 1.00 0.00 O ATOM 90 OE2 GLU A 8 -11.418 -1.378 -9.653 1.00 0.00 O ATOM 0 H GLU A 8 -7.742 -2.521 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.452 -2.524 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.281 -1.971 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.245 -3.700 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.723 -3.797 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.800 -2.088 -7.182 1.00 0.00 H new ATOM 97 N LYS A 9 -9.356 -5.630 -5.360 1.00 0.00 N ATOM 98 CA LYS A 9 -9.581 -6.984 -4.767 1.00 0.00 C ATOM 99 C LYS A 9 -9.697 -7.020 -3.199 1.00 0.00 C ATOM 100 O LYS A 9 -10.644 -7.621 -2.684 1.00 0.00 O ATOM 101 CB LYS A 9 -8.500 -7.974 -5.286 1.00 0.00 C ATOM 102 CG LYS A 9 -8.437 -8.163 -6.823 1.00 0.00 C ATOM 103 CD LYS A 9 -7.556 -9.337 -7.298 1.00 0.00 C ATOM 104 CE LYS A 9 -6.046 -9.096 -7.132 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.290 -10.246 -7.664 1.00 0.00 N ATOM 0 H LYS A 9 -8.493 -5.559 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.567 -7.298 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.525 -7.630 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.675 -8.947 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.450 -8.313 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.064 -7.243 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.833 -10.233 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.768 -9.535 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.755 -8.185 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.806 -8.949 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.271 -10.075 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.558 -11.107 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.508 -10.368 -8.674 1.00 0.00 H new ATOM 118 N VAL A 10 -8.807 -6.341 -2.442 1.00 0.00 N ATOM 119 CA VAL A 10 -8.993 -6.093 -0.969 1.00 0.00 C ATOM 120 C VAL A 10 -10.305 -5.284 -0.620 1.00 0.00 C ATOM 121 O VAL A 10 -11.011 -5.660 0.320 1.00 0.00 O ATOM 122 CB VAL A 10 -7.696 -5.483 -0.320 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.795 -5.318 1.217 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.400 -6.298 -0.559 1.00 0.00 C ATOM 0 H VAL A 10 -7.944 -5.947 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.149 -7.069 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.634 -4.520 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.867 -4.893 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.625 -4.654 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.964 -6.292 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.561 -5.798 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.517 -7.298 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.209 -6.371 -1.630 1.00 0.00 H new ATOM 134 N PHE A 11 -10.677 -4.241 -1.395 1.00 0.00 N ATOM 135 CA PHE A 11 -12.026 -3.598 -1.334 1.00 0.00 C ATOM 136 C PHE A 11 -13.278 -4.527 -1.575 1.00 0.00 C ATOM 137 O PHE A 11 -14.372 -4.167 -1.136 1.00 0.00 O ATOM 138 CB PHE A 11 -12.007 -2.350 -2.271 1.00 0.00 C ATOM 139 CG PHE A 11 -13.048 -1.268 -1.931 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.351 -1.354 -2.432 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.712 -0.205 -1.085 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.322 -0.439 -2.031 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.677 0.725 -0.708 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.986 0.594 -1.161 1.00 0.00 C ATOM 0 H PHE A 11 -10.057 -3.815 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.184 -3.311 -0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.014 -1.902 -2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.170 -2.681 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.606 -2.134 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.699 -0.106 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.335 -0.531 -2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.409 1.549 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.742 1.294 -0.837 1.00 0.00 H new ATOM 154 N GLY A 12 -13.140 -5.741 -2.147 1.00 0.00 N ATOM 155 CA GLY A 12 -14.115 -6.853 -1.942 1.00 0.00 C ATOM 156 C GLY A 12 -14.614 -7.176 -0.504 1.00 0.00 C ATOM 157 O GLY A 12 -15.794 -7.481 -0.326 1.00 0.00 O ATOM 0 H GLY A 12 -12.361 -5.985 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.992 -6.635 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.665 -7.761 -2.344 1.00 0.00 H new ATOM 161 N LYS A 13 -13.748 -7.043 0.515 1.00 0.00 N ATOM 162 CA LYS A 13 -14.176 -6.971 1.948 1.00 0.00 C ATOM 163 C LYS A 13 -15.060 -5.738 2.356 1.00 0.00 C ATOM 164 O LYS A 13 -15.962 -5.864 3.186 1.00 0.00 O ATOM 165 CB LYS A 13 -12.918 -7.029 2.864 1.00 0.00 C ATOM 166 CG LYS A 13 -12.018 -8.282 2.752 1.00 0.00 C ATOM 167 CD LYS A 13 -10.820 -8.217 3.723 1.00 0.00 C ATOM 168 CE LYS A 13 -9.777 -9.334 3.535 1.00 0.00 C ATOM 169 NZ LYS A 13 -8.928 -9.089 2.350 1.00 0.00 N ATOM 0 H LYS A 13 -12.738 -6.982 0.385 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.830 -7.833 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.305 -6.153 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.250 -6.943 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.609 -9.174 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.652 -8.376 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.325 -7.253 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.196 -8.258 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.151 -9.402 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.284 -10.293 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.306 -9.908 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.531 -8.947 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.349 -8.239 2.507 1.00 0.00 H new ATOM 182 N CYS A 14 -14.768 -4.556 1.798 1.00 0.00 N ATOM 183 CA CYS A 14 -15.484 -3.287 2.096 1.00 0.00 C ATOM 184 C CYS A 14 -16.829 -3.058 1.318 1.00 0.00 C ATOM 185 O CYS A 14 -17.791 -2.563 1.912 1.00 0.00 O ATOM 186 CB CYS A 14 -14.486 -2.123 1.863 1.00 0.00 C ATOM 187 SG CYS A 14 -12.759 -2.478 2.332 1.00 0.00 S ATOM 0 H CYS A 14 -14.019 -4.442 1.116 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.813 -3.340 3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.511 -1.850 0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.828 -1.254 2.426 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.021 -1.436 2.090 1.00 0.00 H new ATOM 192 N LYS A 15 -16.900 -3.395 0.011 1.00 0.00 N ATOM 193 CA LYS A 15 -18.062 -3.085 -0.878 1.00 0.00 C ATOM 194 C LYS A 15 -19.490 -3.603 -0.509 1.00 0.00 C ATOM 195 O LYS A 15 -20.474 -2.949 -0.867 1.00 0.00 O ATOM 196 CB LYS A 15 -17.672 -3.432 -2.341 1.00 0.00 C ATOM 197 CG LYS A 15 -17.532 -4.929 -2.711 1.00 0.00 C ATOM 198 CD LYS A 15 -16.775 -5.203 -4.031 1.00 0.00 C ATOM 199 CE LYS A 15 -17.478 -4.828 -5.345 1.00 0.00 C ATOM 200 NZ LYS A 15 -17.346 -3.392 -5.667 1.00 0.00 N ATOM 0 H LYS A 15 -16.151 -3.894 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.222 -2.018 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.419 -2.992 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.724 -2.942 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.016 -5.443 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.528 -5.366 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.827 -4.667 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.538 -6.266 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.059 -5.420 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.535 -5.086 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.490 -3.250 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.060 -2.851 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.396 -3.063 -5.402 1.00 0.00 H new ATOM 213 N ALA A 16 -19.617 -4.731 0.215 1.00 0.00 N ATOM 214 CA ALA A 16 -20.906 -5.147 0.837 1.00 0.00 C ATOM 215 C ALA A 16 -21.550 -4.147 1.862 1.00 0.00 C ATOM 216 O ALA A 16 -22.775 -4.002 1.876 1.00 0.00 O ATOM 217 CB ALA A 16 -20.661 -6.535 1.458 1.00 0.00 C ATOM 0 H ALA A 16 -18.847 -5.377 0.389 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.661 -5.165 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.577 -6.889 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.360 -7.235 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.872 -6.465 2.206 1.00 0.00 H new ATOM 223 N CYS A 17 -20.741 -3.458 2.690 1.00 0.00 N ATOM 224 CA CYS A 17 -21.218 -2.344 3.549 1.00 0.00 C ATOM 225 C CYS A 17 -21.072 -0.899 2.949 1.00 0.00 C ATOM 226 O CYS A 17 -21.949 -0.062 3.182 1.00 0.00 O ATOM 227 CB CYS A 17 -20.469 -2.458 4.892 1.00 0.00 C ATOM 228 SG CYS A 17 -20.580 -4.118 5.633 1.00 0.00 S ATOM 0 H CYS A 17 -19.744 -3.652 2.786 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.297 -2.459 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.420 -2.204 4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.875 -1.727 5.591 1.00 0.00 H new ATOM 0 HG CYS A 17 -19.926 -4.137 6.756 1.00 0.00 H new ATOM 233 N HIS A 18 -19.961 -0.589 2.249 1.00 0.00 N ATOM 234 CA HIS A 18 -19.567 0.789 1.857 1.00 0.00 C ATOM 235 C HIS A 18 -19.619 0.987 0.313 1.00 0.00 C ATOM 236 O HIS A 18 -19.048 0.214 -0.463 1.00 0.00 O ATOM 237 CB HIS A 18 -18.110 1.025 2.325 1.00 0.00 C ATOM 238 CG HIS A 18 -17.935 1.305 3.809 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.923 2.576 4.319 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.497 0.397 4.773 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.395 2.355 5.547 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.185 1.047 5.974 1.00 0.00 N ATOM 0 H HIS A 18 -19.299 -1.298 1.933 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.263 1.491 2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.517 0.147 2.067 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.698 1.864 1.764 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.228 3.450 3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.410 -0.668 4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.140 3.186 6.188 1.00 0.00 H new ATOM 250 N LYS A 19 -20.252 2.081 -0.123 1.00 0.00 N ATOM 251 CA LYS A 19 -20.565 2.301 -1.563 1.00 0.00 C ATOM 252 C LYS A 19 -19.753 3.498 -2.156 1.00 0.00 C ATOM 253 O LYS A 19 -20.009 4.665 -1.845 1.00 0.00 O ATOM 254 CB LYS A 19 -22.095 2.504 -1.731 1.00 0.00 C ATOM 255 CG LYS A 19 -23.043 1.382 -1.232 1.00 0.00 C ATOM 256 CD LYS A 19 -22.932 0.058 -2.011 1.00 0.00 C ATOM 257 CE LYS A 19 -23.796 -1.081 -1.444 1.00 0.00 C ATOM 258 NZ LYS A 19 -25.237 -0.878 -1.700 1.00 0.00 N ATOM 0 H LYS A 19 -20.563 2.835 0.490 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.263 1.419 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.367 3.424 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.295 2.662 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.834 1.188 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -24.071 1.739 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.218 0.234 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.890 -0.260 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.481 -2.026 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -23.628 -1.160 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.776 -1.672 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.547 0.010 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -25.404 -0.829 -2.725 1.00 0.00 H new ATOM 271 N LEU A 20 -18.810 3.211 -3.071 1.00 0.00 N ATOM 272 CA LEU A 20 -18.029 4.254 -3.816 1.00 0.00 C ATOM 273 C LEU A 20 -18.846 5.237 -4.721 1.00 0.00 C ATOM 274 O LEU A 20 -18.439 6.391 -4.856 1.00 0.00 O ATOM 275 CB LEU A 20 -16.935 3.544 -4.666 1.00 0.00 C ATOM 276 CG LEU A 20 -15.824 2.790 -3.891 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.024 1.888 -4.841 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.868 3.745 -3.156 1.00 0.00 C ATOM 0 H LEU A 20 -18.557 2.256 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.611 4.899 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.429 2.833 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.459 4.292 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.324 2.180 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.248 1.366 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.692 1.159 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.562 2.497 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.109 3.166 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.386 4.404 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.431 4.343 -2.439 1.00 0.00 H new ATOM 290 N ASP A 21 -19.983 4.830 -5.323 1.00 0.00 N ATOM 291 CA ASP A 21 -20.890 5.777 -6.047 1.00 0.00 C ATOM 292 C ASP A 21 -21.942 6.456 -5.097 1.00 0.00 C ATOM 293 O ASP A 21 -23.154 6.295 -5.261 1.00 0.00 O ATOM 294 CB ASP A 21 -21.523 5.020 -7.253 1.00 0.00 C ATOM 295 CG ASP A 21 -20.621 4.709 -8.454 1.00 0.00 C ATOM 296 OD1 ASP A 21 -19.386 4.266 -8.079 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.987 4.833 -9.618 1.00 0.00 O ATOM 0 H ASP A 21 -20.303 3.861 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.314 6.618 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.925 4.077 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.368 5.608 -7.612 1.00 0.00 H new ATOM 302 N GLY A 22 -21.462 7.246 -4.116 1.00 0.00 N ATOM 303 CA GLY A 22 -22.308 8.154 -3.286 1.00 0.00 C ATOM 304 C GLY A 22 -23.541 7.622 -2.516 1.00 0.00 C ATOM 305 O GLY A 22 -24.547 8.329 -2.444 1.00 0.00 O ATOM 0 H GLY A 22 -20.473 7.279 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.650 8.618 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.662 8.948 -3.943 1.00 0.00 H new ATOM 309 N ASN A 23 -23.464 6.417 -1.933 1.00 0.00 N ATOM 310 CA ASN A 23 -24.587 5.810 -1.163 1.00 0.00 C ATOM 311 C ASN A 23 -24.140 5.481 0.300 1.00 0.00 C ATOM 312 O ASN A 23 -23.026 5.013 0.558 1.00 0.00 O ATOM 313 CB ASN A 23 -25.132 4.564 -1.921 1.00 0.00 C ATOM 314 CG ASN A 23 -26.138 4.861 -3.037 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.345 4.806 -2.838 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.706 5.167 -4.236 1.00 0.00 N ATOM 0 H ASN A 23 -22.631 5.829 -1.975 1.00 0.00 H new ATOM 0 HA ASN A 23 -25.405 6.526 -1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.288 4.023 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.603 3.898 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.372 5.355 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.704 5.217 -4.420 1.00 0.00 H new ATOM 323 N ASP A 24 -25.038 5.745 1.262 1.00 0.00 N ATOM 324 CA ASP A 24 -24.741 5.641 2.718 1.00 0.00 C ATOM 325 C ASP A 24 -25.826 4.724 3.363 1.00 0.00 C ATOM 326 O ASP A 24 -26.986 5.132 3.492 1.00 0.00 O ATOM 327 CB ASP A 24 -24.725 7.073 3.327 1.00 0.00 C ATOM 328 CG ASP A 24 -23.540 7.944 2.902 1.00 0.00 C ATOM 329 OD1 ASP A 24 -23.757 8.581 1.718 1.00 0.00 O ATOM 330 OD2 ASP A 24 -22.498 8.036 3.542 1.00 0.00 O ATOM 0 H ASP A 24 -25.994 6.038 1.062 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.764 5.197 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.648 7.581 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.724 6.989 4.414 1.00 0.00 H new ATOM 335 N GLY A 25 -25.466 3.478 3.720 1.00 0.00 N ATOM 336 CA GLY A 25 -26.462 2.447 4.132 1.00 0.00 C ATOM 337 C GLY A 25 -26.073 1.688 5.405 1.00 0.00 C ATOM 338 O GLY A 25 -26.405 2.113 6.513 1.00 0.00 O ATOM 0 H GLY A 25 -24.500 3.152 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.427 2.929 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.590 1.733 3.319 1.00 0.00 H new ATOM 342 N VAL A 26 -25.353 0.572 5.237 1.00 0.00 N ATOM 343 CA VAL A 26 -24.697 -0.146 6.380 1.00 0.00 C ATOM 344 C VAL A 26 -23.435 0.650 6.860 1.00 0.00 C ATOM 345 O VAL A 26 -23.422 1.101 8.005 1.00 0.00 O ATOM 346 CB VAL A 26 -24.422 -1.658 6.061 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.771 -2.428 7.236 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.678 -2.460 5.644 1.00 0.00 C ATOM 0 H VAL A 26 -25.199 0.133 4.329 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.390 -0.175 7.221 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.733 -1.594 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.609 -3.466 6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.815 -1.968 7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.430 -2.392 8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.399 -3.494 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.411 -2.433 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.110 -2.019 4.746 1.00 0.00 H new ATOM 358 N GLY A 27 -22.420 0.854 5.998 1.00 0.00 N ATOM 359 CA GLY A 27 -21.411 1.924 6.197 1.00 0.00 C ATOM 360 C GLY A 27 -21.592 3.172 5.276 1.00 0.00 C ATOM 361 O GLY A 27 -22.375 3.124 4.317 1.00 0.00 O ATOM 0 H GLY A 27 -22.273 0.295 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.446 2.249 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.419 1.505 6.027 1.00 0.00 H new ATOM 365 N PRO A 28 -20.868 4.308 5.498 1.00 0.00 N ATOM 366 CA PRO A 28 -20.915 5.483 4.580 1.00 0.00 C ATOM 367 C PRO A 28 -20.246 5.279 3.178 1.00 0.00 C ATOM 368 O PRO A 28 -19.646 4.242 2.881 1.00 0.00 O ATOM 369 CB PRO A 28 -20.231 6.567 5.447 1.00 0.00 C ATOM 370 CG PRO A 28 -19.282 5.809 6.370 1.00 0.00 C ATOM 371 CD PRO A 28 -20.056 4.541 6.709 1.00 0.00 C ATOM 0 HA PRO A 28 -21.929 5.728 4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.689 7.281 4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.966 7.134 6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.337 5.583 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.045 6.386 7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.388 3.704 6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.680 4.674 7.593 1.00 0.00 H new ATOM 379 N HIS A 29 -20.310 6.298 2.306 1.00 0.00 N ATOM 380 CA HIS A 29 -19.571 6.283 1.012 1.00 0.00 C ATOM 381 C HIS A 29 -18.024 6.463 1.198 1.00 0.00 C ATOM 382 O HIS A 29 -17.587 7.406 1.865 1.00 0.00 O ATOM 383 CB HIS A 29 -20.220 7.289 0.018 1.00 0.00 C ATOM 384 CG HIS A 29 -20.152 8.792 0.320 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.240 9.538 0.753 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.054 9.629 0.052 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.674 10.790 0.715 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.370 10.943 0.331 1.00 0.00 N ATOM 0 H HIS A 29 -20.860 7.143 2.463 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.665 5.293 0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.760 7.130 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.272 7.021 -0.079 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -22.180 9.244 1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.098 9.291 -0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.260 11.655 0.989 1.00 0.00 H new ATOM 396 N LEU A 30 -17.189 5.583 0.612 1.00 0.00 N ATOM 397 CA LEU A 30 -15.691 5.725 0.674 1.00 0.00 C ATOM 398 C LEU A 30 -15.004 6.500 -0.509 1.00 0.00 C ATOM 399 O LEU A 30 -13.775 6.460 -0.626 1.00 0.00 O ATOM 400 CB LEU A 30 -15.044 4.331 0.944 1.00 0.00 C ATOM 401 CG LEU A 30 -15.292 3.696 2.339 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.732 2.266 2.402 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.694 4.492 3.512 1.00 0.00 C ATOM 0 H LEU A 30 -17.507 4.766 0.090 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.498 6.394 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.407 3.637 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.967 4.424 0.801 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.376 3.701 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.919 1.845 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.220 1.650 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.659 2.287 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.913 3.979 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.614 4.571 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.131 5.490 3.534 1.00 0.00 H new ATOM 415 N ASN A 31 -15.745 7.288 -1.318 1.00 0.00 N ATOM 416 CA ASN A 31 -15.147 8.298 -2.236 1.00 0.00 C ATOM 417 C ASN A 31 -14.709 9.572 -1.437 1.00 0.00 C ATOM 418 O ASN A 31 -15.499 10.145 -0.676 1.00 0.00 O ATOM 419 CB ASN A 31 -16.082 8.584 -3.444 1.00 0.00 C ATOM 420 CG ASN A 31 -17.373 9.384 -3.210 1.00 0.00 C ATOM 421 OD1 ASN A 31 -17.374 10.560 -2.870 1.00 0.00 O ATOM 422 ND2 ASN A 31 -18.521 8.809 -3.429 1.00 0.00 N ATOM 0 H ASN A 31 -16.763 7.248 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.235 7.895 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.497 9.115 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.363 7.624 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.386 9.338 -3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.555 7.830 -3.714 1.00 0.00 H new ATOM 429 N GLY A 32 -13.431 9.959 -1.529 1.00 0.00 N ATOM 430 CA GLY A 32 -12.865 11.026 -0.656 1.00 0.00 C ATOM 431 C GLY A 32 -12.715 10.693 0.846 1.00 0.00 C ATOM 432 O GLY A 32 -13.091 11.511 1.688 1.00 0.00 O ATOM 0 H GLY A 32 -12.764 9.560 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.883 11.296 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.497 11.909 -0.746 1.00 0.00 H new ATOM 436 N VAL A 33 -12.186 9.503 1.180 1.00 0.00 N ATOM 437 CA VAL A 33 -11.827 9.129 2.587 1.00 0.00 C ATOM 438 C VAL A 33 -10.372 9.516 3.038 1.00 0.00 C ATOM 439 O VAL A 33 -10.191 9.861 4.209 1.00 0.00 O ATOM 440 CB VAL A 33 -12.236 7.646 2.885 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.357 6.574 2.202 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.308 7.352 4.402 1.00 0.00 C ATOM 0 H VAL A 33 -11.991 8.769 0.499 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.427 9.765 3.238 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.229 7.566 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.720 5.582 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.406 6.699 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.325 6.685 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.595 6.312 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.332 7.531 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.047 8.006 4.865 1.00 0.00 H new ATOM 452 N VAL A 34 -9.340 9.473 2.169 1.00 0.00 N ATOM 453 CA VAL A 34 -7.932 9.816 2.555 1.00 0.00 C ATOM 454 C VAL A 34 -7.798 11.370 2.745 1.00 0.00 C ATOM 455 O VAL A 34 -8.024 12.149 1.813 1.00 0.00 O ATOM 456 CB VAL A 34 -6.884 9.215 1.552 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.420 9.480 1.983 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.006 7.687 1.345 1.00 0.00 C ATOM 0 H VAL A 34 -9.444 9.205 1.190 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.702 9.350 3.513 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.120 9.731 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.741 9.042 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.247 10.555 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.241 9.030 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.246 7.354 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.863 7.178 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.995 7.451 0.952 1.00 0.00 H new ATOM 468 N GLY A 35 -7.483 11.807 3.977 1.00 0.00 N ATOM 469 CA GLY A 35 -7.646 13.234 4.389 1.00 0.00 C ATOM 470 C GLY A 35 -9.021 13.709 4.937 1.00 0.00 C ATOM 471 O GLY A 35 -9.153 14.894 5.248 1.00 0.00 O ATOM 0 H GLY A 35 -7.114 11.203 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.897 13.443 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.403 13.855 3.527 1.00 0.00 H new ATOM 475 N ARG A 36 -10.027 12.830 5.080 1.00 0.00 N ATOM 476 CA ARG A 36 -11.383 13.199 5.568 1.00 0.00 C ATOM 477 C ARG A 36 -11.439 13.290 7.121 1.00 0.00 C ATOM 478 O ARG A 36 -10.948 12.402 7.820 1.00 0.00 O ATOM 479 CB ARG A 36 -12.351 12.110 5.043 1.00 0.00 C ATOM 480 CG ARG A 36 -13.858 12.393 5.271 1.00 0.00 C ATOM 481 CD ARG A 36 -14.748 11.149 5.167 1.00 0.00 C ATOM 482 NE ARG A 36 -14.952 10.728 3.758 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.695 9.699 3.368 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.260 8.841 4.183 1.00 0.00 N ATOM 485 NH2 ARG A 36 -15.879 9.518 2.100 1.00 0.00 N ATOM 0 H ARG A 36 -9.931 11.838 4.862 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.660 14.188 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.181 11.981 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.100 11.164 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.988 12.839 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.194 13.129 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.295 10.331 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.714 11.355 5.628 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.485 11.272 3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.141 8.941 5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.818 8.074 3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.457 10.158 1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.446 8.735 1.774 1.00 0.00 H new ATOM 499 N THR A 37 -12.138 14.297 7.664 1.00 0.00 N ATOM 500 CA THR A 37 -12.460 14.377 9.122 1.00 0.00 C ATOM 501 C THR A 37 -13.210 13.111 9.670 1.00 0.00 C ATOM 502 O THR A 37 -14.052 12.517 8.985 1.00 0.00 O ATOM 503 CB THR A 37 -13.214 15.723 9.354 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.412 16.825 8.921 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.590 16.026 10.813 1.00 0.00 C ATOM 0 H THR A 37 -12.500 15.081 7.121 1.00 0.00 H new ATOM 0 HA THR A 37 -11.542 14.373 9.710 1.00 0.00 H new ATOM 0 HB THR A 37 -14.134 15.602 8.781 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.480 16.535 8.829 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.109 16.983 10.864 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.242 15.239 11.192 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.686 16.071 11.420 1.00 0.00 H new ATOM 513 N VAL A 38 -12.877 12.680 10.902 1.00 0.00 N ATOM 514 CA VAL A 38 -13.506 11.479 11.536 1.00 0.00 C ATOM 515 C VAL A 38 -15.006 11.789 11.900 1.00 0.00 C ATOM 516 O VAL A 38 -15.312 12.812 12.518 1.00 0.00 O ATOM 517 CB VAL A 38 -12.644 10.946 12.733 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.245 9.674 13.372 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.185 10.580 12.362 1.00 0.00 C ATOM 0 H VAL A 38 -12.178 13.138 11.487 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.527 10.655 10.823 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.648 11.789 13.423 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.611 9.346 14.195 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.244 9.893 13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.305 8.884 12.623 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.663 10.221 13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.188 9.799 11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.676 11.462 11.974 1.00 0.00 H new ATOM 529 N ALA A 39 -15.932 10.930 11.421 1.00 0.00 N ATOM 530 CA ALA A 39 -17.385 11.263 11.271 1.00 0.00 C ATOM 531 C ALA A 39 -17.790 12.358 10.213 1.00 0.00 C ATOM 532 O ALA A 39 -18.893 12.911 10.273 1.00 0.00 O ATOM 533 CB ALA A 39 -18.059 11.456 12.646 1.00 0.00 C ATOM 0 H ALA A 39 -15.703 9.981 11.124 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.796 10.373 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.113 11.697 12.504 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.971 10.537 13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.570 12.270 13.180 1.00 0.00 H new ATOM 539 N GLY A 40 -16.959 12.623 9.187 1.00 0.00 N ATOM 540 CA GLY A 40 -17.174 13.733 8.221 1.00 0.00 C ATOM 541 C GLY A 40 -18.007 13.404 6.964 1.00 0.00 C ATOM 542 O GLY A 40 -17.585 13.701 5.845 1.00 0.00 O ATOM 0 H GLY A 40 -16.118 12.077 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.662 14.553 8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.199 14.097 7.898 1.00 0.00 H new ATOM 546 N VAL A 41 -19.201 12.833 7.167 1.00 0.00 N ATOM 547 CA VAL A 41 -20.248 12.717 6.104 1.00 0.00 C ATOM 548 C VAL A 41 -21.617 13.122 6.740 1.00 0.00 C ATOM 549 O VAL A 41 -22.236 12.333 7.463 1.00 0.00 O ATOM 550 CB VAL A 41 -20.311 11.307 5.408 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.376 11.245 4.286 1.00 0.00 C ATOM 552 CG2 VAL A 41 -18.980 10.853 4.769 1.00 0.00 C ATOM 0 H VAL A 41 -19.483 12.435 8.063 1.00 0.00 H new ATOM 0 HA VAL A 41 -19.987 13.392 5.289 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.564 10.641 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.377 10.251 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.360 11.455 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.142 11.986 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.112 9.872 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.679 11.571 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.209 10.795 5.537 1.00 0.00 H new ATOM 562 N ASP A 42 -22.129 14.322 6.407 1.00 0.00 N ATOM 563 CA ASP A 42 -23.511 14.740 6.783 1.00 0.00 C ATOM 564 C ASP A 42 -24.560 14.011 5.879 1.00 0.00 C ATOM 565 O ASP A 42 -24.668 14.277 4.678 1.00 0.00 O ATOM 566 CB ASP A 42 -23.641 16.283 6.690 1.00 0.00 C ATOM 567 CG ASP A 42 -22.851 17.063 7.742 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.265 17.293 8.873 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.635 17.469 7.284 1.00 0.00 O ATOM 0 H ASP A 42 -21.613 15.026 5.878 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.711 14.452 7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.312 16.601 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.694 16.550 6.777 1.00 0.00 H new ATOM 574 N GLY A 43 -25.265 13.030 6.461 1.00 0.00 N ATOM 575 CA GLY A 43 -25.960 11.976 5.673 1.00 0.00 C ATOM 576 C GLY A 43 -25.985 10.587 6.346 1.00 0.00 C ATOM 577 O GLY A 43 -27.052 9.980 6.440 1.00 0.00 O ATOM 0 H GLY A 43 -25.375 12.936 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -26.986 12.295 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.474 11.887 4.701 1.00 0.00 H new ATOM 581 N PHE A 44 -24.824 10.077 6.800 1.00 0.00 N ATOM 582 CA PHE A 44 -24.760 8.811 7.582 1.00 0.00 C ATOM 583 C PHE A 44 -24.936 9.063 9.120 1.00 0.00 C ATOM 584 O PHE A 44 -24.310 9.957 9.701 1.00 0.00 O ATOM 585 CB PHE A 44 -23.422 8.099 7.231 1.00 0.00 C ATOM 586 CG PHE A 44 -23.291 6.683 7.824 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.918 5.591 7.215 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.641 6.501 9.049 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.913 4.345 7.835 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.644 5.257 9.672 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.281 4.180 9.064 1.00 0.00 C ATOM 0 H PHE A 44 -23.916 10.515 6.643 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.591 8.159 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.329 8.038 6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.593 8.710 7.588 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.408 5.715 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.133 7.332 9.515 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.400 3.505 7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.153 5.128 10.625 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.285 3.214 9.547 1.00 0.00 H new ATOM 601 N ASN A 45 -25.737 8.211 9.789 1.00 0.00 N ATOM 602 CA ASN A 45 -25.884 8.235 11.270 1.00 0.00 C ATOM 603 C ASN A 45 -24.703 7.485 11.980 1.00 0.00 C ATOM 604 O ASN A 45 -24.765 6.275 12.231 1.00 0.00 O ATOM 605 CB ASN A 45 -27.287 7.654 11.598 1.00 0.00 C ATOM 606 CG ASN A 45 -27.761 7.868 13.029 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.412 8.851 13.362 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.460 6.970 13.925 1.00 0.00 N ATOM 0 H ASN A 45 -26.297 7.492 9.331 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.824 9.252 11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.015 8.101 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.276 6.584 11.392 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.766 7.090 14.891 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.919 6.147 13.660 1.00 0.00 H new ATOM 615 N TYR A 46 -23.640 8.231 12.318 1.00 0.00 N ATOM 616 CA TYR A 46 -22.429 7.676 12.981 1.00 0.00 C ATOM 617 C TYR A 46 -22.629 7.302 14.489 1.00 0.00 C ATOM 618 O TYR A 46 -23.425 7.917 15.206 1.00 0.00 O ATOM 619 CB TYR A 46 -21.270 8.710 12.825 1.00 0.00 C ATOM 620 CG TYR A 46 -20.641 8.812 11.425 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.687 7.873 11.021 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.006 9.837 10.546 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.115 7.949 9.755 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.425 9.916 9.282 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.478 8.975 8.889 1.00 0.00 C ATOM 626 OH TYR A 46 -18.871 9.078 7.667 1.00 0.00 O ATOM 0 H TYR A 46 -23.586 9.235 12.144 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.193 6.733 12.487 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.647 9.694 13.105 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.485 8.456 13.537 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.392 7.083 11.696 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.740 10.569 10.848 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.389 7.212 9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.710 10.709 8.606 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.214 8.358 7.567 1.00 0.00 H new ATOM 636 N SER A 47 -21.836 6.334 14.993 1.00 0.00 N ATOM 637 CA SER A 47 -21.707 6.091 16.461 1.00 0.00 C ATOM 638 C SER A 47 -21.059 7.285 17.233 1.00 0.00 C ATOM 639 O SER A 47 -20.170 7.982 16.731 1.00 0.00 O ATOM 640 CB SER A 47 -20.913 4.788 16.709 1.00 0.00 C ATOM 641 OG SER A 47 -20.971 4.395 18.083 1.00 0.00 O ATOM 0 H SER A 47 -21.275 5.707 14.416 1.00 0.00 H new ATOM 0 HA SER A 47 -22.718 5.990 16.855 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.315 3.991 16.084 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.874 4.932 16.414 1.00 0.00 H new ATOM 0 HG SER A 47 -20.234 3.780 18.279 1.00 0.00 H new ATOM 647 N ASP A 48 -21.505 7.485 18.481 1.00 0.00 N ATOM 648 CA ASP A 48 -21.026 8.603 19.352 1.00 0.00 C ATOM 649 C ASP A 48 -19.471 8.669 19.603 1.00 0.00 C ATOM 650 O ASP A 48 -18.939 9.771 19.444 1.00 0.00 O ATOM 651 CB ASP A 48 -21.859 8.685 20.660 1.00 0.00 C ATOM 652 CG ASP A 48 -23.333 9.045 20.465 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.746 10.191 20.327 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.136 7.945 20.451 1.00 0.00 O ATOM 0 H ASP A 48 -22.203 6.889 18.926 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.206 9.507 18.771 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.800 7.725 21.172 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.403 9.425 21.318 1.00 0.00 H new ATOM 659 N PRO A 49 -18.688 7.586 19.897 1.00 0.00 N ATOM 660 CA PRO A 49 -17.196 7.621 19.849 1.00 0.00 C ATOM 661 C PRO A 49 -16.486 7.936 18.496 1.00 0.00 C ATOM 662 O PRO A 49 -15.376 8.468 18.527 1.00 0.00 O ATOM 663 CB PRO A 49 -16.805 6.233 20.393 1.00 0.00 C ATOM 664 CG PRO A 49 -18.044 5.726 21.128 1.00 0.00 C ATOM 665 CD PRO A 49 -19.207 6.277 20.319 1.00 0.00 C ATOM 0 HA PRO A 49 -16.850 8.481 20.423 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.524 5.558 19.584 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.949 6.300 21.065 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.066 4.637 21.167 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.070 6.083 22.158 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.451 5.641 19.468 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.113 6.370 20.917 1.00 0.00 H new ATOM 673 N MET A 50 -17.098 7.642 17.330 1.00 0.00 N ATOM 674 CA MET A 50 -16.664 8.243 16.030 1.00 0.00 C ATOM 675 C MET A 50 -16.966 9.774 15.900 1.00 0.00 C ATOM 676 O MET A 50 -16.090 10.523 15.461 1.00 0.00 O ATOM 677 CB MET A 50 -17.225 7.380 14.864 1.00 0.00 C ATOM 678 CG MET A 50 -16.669 7.738 13.465 1.00 0.00 C ATOM 679 SD MET A 50 -16.844 6.394 12.273 1.00 0.00 S ATOM 680 CE MET A 50 -15.480 5.310 12.727 1.00 0.00 C ATOM 0 H MET A 50 -17.887 7.000 17.251 1.00 0.00 H new ATOM 0 HA MET A 50 -15.575 8.216 15.984 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.007 6.332 15.069 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.310 7.482 14.845 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.187 8.620 13.089 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.615 8.002 13.555 1.00 0.00 H new ATOM 0 HE1 MET A 50 -15.406 4.496 12.005 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.550 5.878 12.730 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.657 4.899 13.721 1.00 0.00 H new ATOM 690 N LYS A 51 -18.160 10.248 16.309 1.00 0.00 N ATOM 691 CA LYS A 51 -18.473 11.708 16.399 1.00 0.00 C ATOM 692 C LYS A 51 -17.565 12.511 17.392 1.00 0.00 C ATOM 693 O LYS A 51 -16.995 13.531 16.999 1.00 0.00 O ATOM 694 CB LYS A 51 -19.985 11.914 16.695 1.00 0.00 C ATOM 695 CG LYS A 51 -20.966 11.390 15.614 1.00 0.00 C ATOM 696 CD LYS A 51 -22.447 11.749 15.853 1.00 0.00 C ATOM 697 CE LYS A 51 -23.080 11.037 17.061 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.504 11.398 17.187 1.00 0.00 N ATOM 0 H LYS A 51 -18.935 9.645 16.586 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.238 12.131 15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.220 11.423 17.640 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.166 12.980 16.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.663 11.787 14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.875 10.305 15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.530 12.826 15.996 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.019 11.501 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.981 9.958 16.947 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.548 11.311 17.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.915 10.908 18.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.591 12.426 17.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.012 11.115 16.325 1.00 0.00 H new ATOM 711 N ALA A 52 -17.385 12.038 18.641 1.00 0.00 N ATOM 712 CA ALA A 52 -16.400 12.615 19.595 1.00 0.00 C ATOM 713 C ALA A 52 -14.958 11.986 19.571 1.00 0.00 C ATOM 714 O ALA A 52 -14.316 11.875 20.620 1.00 0.00 O ATOM 715 CB ALA A 52 -17.099 12.507 20.968 1.00 0.00 C ATOM 0 H ALA A 52 -17.911 11.251 19.021 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.163 13.642 19.317 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.446 12.910 21.742 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.030 13.073 20.948 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.315 11.461 21.185 1.00 0.00 H new ATOM 721 N HIS A 53 -14.402 11.646 18.387 1.00 0.00 N ATOM 722 CA HIS A 53 -12.995 11.157 18.264 1.00 0.00 C ATOM 723 C HIS A 53 -11.935 12.311 18.221 1.00 0.00 C ATOM 724 O HIS A 53 -11.042 12.343 19.071 1.00 0.00 O ATOM 725 CB HIS A 53 -12.910 10.185 17.052 1.00 0.00 C ATOM 726 CG HIS A 53 -11.655 9.311 17.017 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.589 9.524 16.153 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.427 8.177 17.818 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.790 8.473 16.527 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.204 7.610 17.509 1.00 0.00 N ATOM 0 H HIS A 53 -14.900 11.698 17.498 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.732 10.609 19.169 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.787 9.537 17.062 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.955 10.769 16.132 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.109 7.803 18.567 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.834 8.325 16.047 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.743 6.788 17.899 1.00 0.00 H new ATOM 738 N GLY A 54 -12.016 13.228 17.235 1.00 0.00 N ATOM 739 CA GLY A 54 -11.012 14.310 17.056 1.00 0.00 C ATOM 740 C GLY A 54 -9.810 13.923 16.176 1.00 0.00 C ATOM 741 O GLY A 54 -8.761 13.516 16.679 1.00 0.00 O ATOM 0 H GLY A 54 -12.768 13.245 16.546 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.505 15.177 16.616 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.646 14.615 18.036 1.00 0.00 H new ATOM 745 N GLY A 55 -9.971 14.083 14.861 1.00 0.00 N ATOM 746 CA GLY A 55 -8.905 13.751 13.887 1.00 0.00 C ATOM 747 C GLY A 55 -9.327 13.782 12.402 1.00 0.00 C ATOM 748 O GLY A 55 -10.467 14.095 12.040 1.00 0.00 O ATOM 0 H GLY A 55 -10.827 14.440 14.436 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.080 14.449 14.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.524 12.756 14.117 1.00 0.00 H new ATOM 752 N ASP A 56 -8.369 13.422 11.533 1.00 0.00 N ATOM 753 CA ASP A 56 -8.626 13.221 10.074 1.00 0.00 C ATOM 754 C ASP A 56 -7.990 11.877 9.585 1.00 0.00 C ATOM 755 O ASP A 56 -6.988 11.393 10.125 1.00 0.00 O ATOM 756 CB ASP A 56 -8.115 14.429 9.236 1.00 0.00 C ATOM 757 CG ASP A 56 -8.812 15.770 9.502 1.00 0.00 C ATOM 758 OD1 ASP A 56 -9.811 16.157 8.899 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.200 16.473 10.498 1.00 0.00 O ATOM 0 H ASP A 56 -7.399 13.260 11.805 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.704 13.159 9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.048 14.552 9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.226 14.187 8.179 1.00 0.00 H new ATOM 764 N TRP A 57 -8.573 11.280 8.531 1.00 0.00 N ATOM 765 CA TRP A 57 -8.195 9.924 8.044 1.00 0.00 C ATOM 766 C TRP A 57 -6.930 9.929 7.128 1.00 0.00 C ATOM 767 O TRP A 57 -6.987 9.780 5.904 1.00 0.00 O ATOM 768 CB TRP A 57 -9.439 9.273 7.373 1.00 0.00 C ATOM 769 CG TRP A 57 -10.533 8.740 8.311 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.871 9.189 8.353 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.437 7.773 9.303 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.619 8.509 9.329 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.708 7.655 9.919 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.325 7.049 9.812 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.869 6.845 11.065 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.508 6.262 10.947 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.758 6.170 11.571 1.00 0.00 C ATOM 0 H TRP A 57 -9.319 11.715 7.988 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.895 9.313 8.896 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.891 10.009 6.708 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.095 8.448 6.749 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.271 9.961 7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.608 8.621 9.551 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.360 7.108 9.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.834 6.750 11.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.671 5.713 11.353 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.864 5.566 12.460 1.00 0.00 H new ATOM 788 N THR A 58 -5.768 10.055 7.776 1.00 0.00 N ATOM 789 CA THR A 58 -4.429 9.930 7.133 1.00 0.00 C ATOM 790 C THR A 58 -4.039 8.436 6.816 1.00 0.00 C ATOM 791 O THR A 58 -4.603 7.530 7.443 1.00 0.00 O ATOM 792 CB THR A 58 -3.369 10.618 8.061 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.349 10.038 9.362 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.551 12.136 8.234 1.00 0.00 C ATOM 0 H THR A 58 -5.716 10.249 8.776 1.00 0.00 H new ATOM 0 HA THR A 58 -4.459 10.430 6.165 1.00 0.00 H new ATOM 0 HB THR A 58 -2.428 10.448 7.538 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.676 10.491 9.912 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.773 12.523 8.892 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.481 12.624 7.262 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.529 12.338 8.671 1.00 0.00 H new ATOM 802 N PRO A 59 -3.069 8.102 5.906 1.00 0.00 N ATOM 803 CA PRO A 59 -2.578 6.697 5.720 1.00 0.00 C ATOM 804 C PRO A 59 -2.166 5.894 6.997 1.00 0.00 C ATOM 805 O PRO A 59 -2.625 4.767 7.196 1.00 0.00 O ATOM 806 CB PRO A 59 -1.434 6.876 4.700 1.00 0.00 C ATOM 807 CG PRO A 59 -1.061 8.359 4.715 1.00 0.00 C ATOM 808 CD PRO A 59 -2.370 9.074 5.039 1.00 0.00 C ATOM 0 HA PRO A 59 -3.390 6.051 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.577 6.258 4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.751 6.567 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.297 8.569 5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.661 8.678 3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.198 10.021 5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.942 9.297 4.139 1.00 0.00 H new ATOM 816 N GLU A 60 -1.370 6.521 7.879 1.00 0.00 N ATOM 817 CA GLU A 60 -1.112 6.027 9.264 1.00 0.00 C ATOM 818 C GLU A 60 -2.385 5.764 10.150 1.00 0.00 C ATOM 819 O GLU A 60 -2.550 4.645 10.646 1.00 0.00 O ATOM 820 CB GLU A 60 -0.061 6.966 9.921 1.00 0.00 C ATOM 821 CG GLU A 60 0.502 6.510 11.293 1.00 0.00 C ATOM 822 CD GLU A 60 1.320 5.215 11.289 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.842 4.098 11.100 1.00 0.00 O ATOM 824 OE2 GLU A 60 2.644 5.438 11.517 1.00 0.00 O ATOM 0 H GLU A 60 -0.880 7.389 7.662 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.709 5.017 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.774 7.083 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.512 7.951 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.127 7.310 11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.333 6.386 11.983 1.00 0.00 H new ATOM 831 N ALA A 61 -3.293 6.749 10.319 1.00 0.00 N ATOM 832 CA ALA A 61 -4.596 6.536 11.014 1.00 0.00 C ATOM 833 C ALA A 61 -5.553 5.464 10.390 1.00 0.00 C ATOM 834 O ALA A 61 -6.082 4.627 11.127 1.00 0.00 O ATOM 835 CB ALA A 61 -5.276 7.912 11.147 1.00 0.00 C ATOM 0 H ALA A 61 -3.154 7.703 9.986 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.372 6.097 11.986 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.235 7.797 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.638 8.579 11.727 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.437 8.336 10.156 1.00 0.00 H new ATOM 841 N LEU A 62 -5.733 5.446 9.053 1.00 0.00 N ATOM 842 CA LEU A 62 -6.424 4.340 8.330 1.00 0.00 C ATOM 843 C LEU A 62 -5.789 2.923 8.516 1.00 0.00 C ATOM 844 O LEU A 62 -6.523 2.000 8.871 1.00 0.00 O ATOM 845 CB LEU A 62 -6.552 4.708 6.821 1.00 0.00 C ATOM 846 CG LEU A 62 -7.576 5.815 6.454 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.337 6.322 5.023 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.031 5.322 6.577 1.00 0.00 C ATOM 0 H LEU A 62 -5.407 6.192 8.439 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.410 4.250 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.571 5.021 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.818 3.804 6.273 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.427 6.628 7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.065 7.097 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.331 6.733 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.445 5.495 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.713 6.130 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.187 4.479 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.223 5.008 7.603 1.00 0.00 H new ATOM 860 N GLN A 63 -4.466 2.723 8.323 1.00 0.00 N ATOM 861 CA GLN A 63 -3.813 1.403 8.582 1.00 0.00 C ATOM 862 C GLN A 63 -3.862 0.873 10.058 1.00 0.00 C ATOM 863 O GLN A 63 -4.116 -0.317 10.264 1.00 0.00 O ATOM 864 CB GLN A 63 -2.406 1.354 7.927 1.00 0.00 C ATOM 865 CG GLN A 63 -1.239 2.045 8.674 1.00 0.00 C ATOM 866 CD GLN A 63 0.116 2.003 7.958 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.308 1.399 6.907 1.00 0.00 O ATOM 868 NE2 GLN A 63 1.118 2.630 8.522 1.00 0.00 N ATOM 0 H GLN A 63 -3.827 3.446 7.992 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.443 0.665 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.139 0.307 7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.482 1.802 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.507 3.087 8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.129 1.577 9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.976 3.137 9.396 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.041 2.612 8.088 1.00 0.00 H new ATOM 877 N GLU A 64 -3.675 1.743 11.071 1.00 0.00 N ATOM 878 CA GLU A 64 -3.967 1.409 12.497 1.00 0.00 C ATOM 879 C GLU A 64 -5.466 1.046 12.785 1.00 0.00 C ATOM 880 O GLU A 64 -5.730 -0.006 13.376 1.00 0.00 O ATOM 881 CB GLU A 64 -3.470 2.568 13.408 1.00 0.00 C ATOM 882 CG GLU A 64 -1.935 2.786 13.448 1.00 0.00 C ATOM 883 CD GLU A 64 -1.513 3.943 14.350 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.382 3.557 15.653 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.320 5.085 13.943 1.00 0.00 O ATOM 0 H GLU A 64 -3.321 2.690 10.936 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.421 0.494 12.727 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.941 3.493 13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.818 2.381 14.424 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.454 1.871 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.575 2.973 12.436 1.00 0.00 H new ATOM 892 N PHE A 65 -6.438 1.872 12.342 1.00 0.00 N ATOM 893 CA PHE A 65 -7.887 1.526 12.369 1.00 0.00 C ATOM 894 C PHE A 65 -8.289 0.215 11.617 1.00 0.00 C ATOM 895 O PHE A 65 -9.049 -0.575 12.168 1.00 0.00 O ATOM 896 CB PHE A 65 -8.630 2.787 11.849 1.00 0.00 C ATOM 897 CG PHE A 65 -10.168 2.713 11.819 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.915 2.816 12.997 1.00 0.00 C ATOM 899 CD2 PHE A 65 -10.831 2.552 10.598 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.307 2.758 12.953 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.221 2.497 10.559 1.00 0.00 C ATOM 902 CZ PHE A 65 -12.959 2.599 11.734 1.00 0.00 C ATOM 0 H PHE A 65 -6.247 2.796 11.955 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.177 1.274 13.389 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.341 3.634 12.471 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.279 2.998 10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.411 2.941 13.944 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.263 2.470 9.683 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.880 2.836 13.865 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.729 2.375 9.614 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.038 2.555 11.700 1.00 0.00 H new ATOM 912 N LEU A 66 -7.807 -0.043 10.393 1.00 0.00 N ATOM 913 CA LEU A 66 -8.162 -1.282 9.641 1.00 0.00 C ATOM 914 C LEU A 66 -7.520 -2.620 10.150 1.00 0.00 C ATOM 915 O LEU A 66 -8.073 -3.677 9.845 1.00 0.00 O ATOM 916 CB LEU A 66 -7.927 -1.026 8.127 1.00 0.00 C ATOM 917 CG LEU A 66 -8.793 0.090 7.471 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.270 0.421 6.066 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.286 -0.275 7.409 1.00 0.00 C ATOM 0 H LEU A 66 -7.172 0.580 9.894 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.218 -1.470 9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.877 -0.773 7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.107 -1.958 7.591 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.705 0.970 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.887 1.203 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.239 0.768 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.312 -0.472 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.841 0.539 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.414 -1.184 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.663 -0.439 8.419 1.00 0.00 H new ATOM 931 N THR A 67 -6.433 -2.618 10.951 1.00 0.00 N ATOM 932 CA THR A 67 -6.018 -3.807 11.767 1.00 0.00 C ATOM 933 C THR A 67 -6.924 -4.099 13.015 1.00 0.00 C ATOM 934 O THR A 67 -7.188 -5.276 13.270 1.00 0.00 O ATOM 935 CB THR A 67 -4.493 -3.730 12.081 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.765 -3.768 10.865 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.906 -4.897 12.890 1.00 0.00 C ATOM 0 H THR A 67 -5.819 -1.811 11.058 1.00 0.00 H new ATOM 0 HA THR A 67 -6.186 -4.693 11.155 1.00 0.00 H new ATOM 0 HB THR A 67 -4.402 -2.814 12.665 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.860 -4.653 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.840 -4.732 13.046 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.408 -4.959 13.855 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.053 -5.829 12.344 1.00 0.00 H new ATOM 945 N ASN A 68 -7.403 -3.101 13.788 1.00 0.00 N ATOM 946 CA ASN A 68 -8.475 -3.326 14.804 1.00 0.00 C ATOM 947 C ASN A 68 -9.357 -2.031 14.938 1.00 0.00 C ATOM 948 O ASN A 68 -8.942 -1.113 15.661 1.00 0.00 O ATOM 949 CB ASN A 68 -7.869 -3.812 16.151 1.00 0.00 C ATOM 950 CG ASN A 68 -8.894 -4.335 17.172 1.00 0.00 C ATOM 951 OD1 ASN A 68 -10.003 -3.833 17.324 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.555 -5.347 17.932 1.00 0.00 N ATOM 0 H ASN A 68 -7.073 -2.137 13.735 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.137 -4.127 14.475 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.148 -4.603 15.944 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.317 -2.988 16.602 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.208 -5.701 18.631 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.638 -5.781 17.824 1.00 0.00 H new ATOM 959 N PRO A 69 -10.570 -1.906 14.315 1.00 0.00 N ATOM 960 CA PRO A 69 -11.366 -0.647 14.387 1.00 0.00 C ATOM 961 C PRO A 69 -12.038 -0.306 15.753 1.00 0.00 C ATOM 962 O PRO A 69 -12.083 0.871 16.121 1.00 0.00 O ATOM 963 CB PRO A 69 -12.320 -0.756 13.183 1.00 0.00 C ATOM 964 CG PRO A 69 -12.365 -2.228 12.780 1.00 0.00 C ATOM 965 CD PRO A 69 -11.071 -2.857 13.299 1.00 0.00 C ATOM 0 HA PRO A 69 -10.718 0.227 14.330 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.315 -0.398 13.446 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.968 -0.140 12.355 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.237 -2.722 13.210 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.441 -2.332 11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.255 -3.839 13.734 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.348 -2.995 12.495 1.00 0.00 H new ATOM 973 N LYS A 70 -12.504 -1.312 16.516 1.00 0.00 N ATOM 974 CA LYS A 70 -12.956 -1.127 17.929 1.00 0.00 C ATOM 975 C LYS A 70 -11.858 -0.834 19.009 1.00 0.00 C ATOM 976 O LYS A 70 -12.191 -0.283 20.060 1.00 0.00 O ATOM 977 CB LYS A 70 -13.866 -2.319 18.336 1.00 0.00 C ATOM 978 CG LYS A 70 -15.227 -2.402 17.599 1.00 0.00 C ATOM 979 CD LYS A 70 -16.091 -3.582 18.091 1.00 0.00 C ATOM 980 CE LYS A 70 -17.461 -3.710 17.401 1.00 0.00 C ATOM 981 NZ LYS A 70 -17.348 -4.232 16.024 1.00 0.00 N ATOM 0 H LYS A 70 -12.582 -2.273 16.184 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.512 -0.189 17.921 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.321 -3.246 18.160 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.056 -2.259 19.408 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.773 -1.470 17.744 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.052 -2.505 16.528 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.536 -4.508 17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.249 -3.476 19.164 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.100 -4.371 17.987 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.947 -2.734 17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.215 -4.751 15.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.219 -3.440 15.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.531 -4.872 15.961 1.00 0.00 H new ATOM 994 N ALA A 71 -10.573 -1.144 18.766 1.00 0.00 N ATOM 995 CA ALA A 71 -9.445 -0.602 19.574 1.00 0.00 C ATOM 996 C ALA A 71 -9.106 0.906 19.316 1.00 0.00 C ATOM 997 O ALA A 71 -8.969 1.663 20.279 1.00 0.00 O ATOM 998 CB ALA A 71 -8.231 -1.522 19.356 1.00 0.00 C ATOM 0 H ALA A 71 -10.279 -1.769 18.015 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.751 -0.603 20.620 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.385 -1.152 19.936 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.478 -2.533 19.680 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.969 -1.534 18.298 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.983 1.351 18.046 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.740 2.793 17.704 1.00 0.00 C ATOM 1006 C VAL A 72 -9.983 3.715 17.972 1.00 0.00 C ATOM 1007 O VAL A 72 -9.822 4.763 18.605 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.139 2.920 16.257 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.977 4.376 15.752 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.750 2.250 16.126 1.00 0.00 C ATOM 0 H VAL A 72 -9.046 0.741 17.231 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.988 3.178 18.392 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.882 2.409 15.645 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.556 4.368 14.747 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.951 4.865 15.734 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.310 4.921 16.420 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.384 2.369 15.106 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.052 2.720 16.819 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.834 1.189 16.360 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.190 3.364 17.487 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.440 4.114 17.806 1.00 0.00 C ATOM 1022 C VAL A 73 -13.252 3.231 18.813 1.00 0.00 C ATOM 1023 O VAL A 73 -13.964 2.300 18.416 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.221 4.492 16.501 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.497 5.305 16.807 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.414 5.323 15.472 1.00 0.00 C ATOM 0 H VAL A 73 -11.335 2.565 16.870 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.231 5.075 18.276 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.449 3.519 16.067 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.007 5.546 15.874 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.160 4.717 17.442 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.226 6.227 17.321 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.039 5.534 14.605 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.098 6.261 15.929 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.536 4.759 15.157 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.131 3.521 20.123 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.665 2.637 21.199 1.00 0.00 C ATOM 1038 C LYS A 74 -15.219 2.736 21.352 1.00 0.00 C ATOM 1039 O LYS A 74 -15.748 3.678 21.946 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.868 2.954 22.494 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.094 1.951 23.648 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.258 2.294 24.899 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.421 1.307 26.069 1.00 0.00 C ATOM 1044 NZ LYS A 74 -13.724 1.469 26.748 1.00 0.00 N ATOM 0 H LYS A 74 -12.668 4.361 20.471 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.516 1.588 20.943 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.805 2.979 22.254 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.141 3.952 22.838 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.151 1.939 23.913 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.839 0.947 23.308 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.206 2.333 24.617 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.533 3.292 25.241 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.329 0.286 25.698 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.616 1.459 26.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.795 0.787 27.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.802 2.436 27.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.493 1.299 26.069 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.932 1.753 20.780 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.404 1.844 20.547 1.00 0.00 C ATOM 1059 C GLY A 75 -17.882 2.329 19.149 1.00 0.00 C ATOM 1060 O GLY A 75 -18.946 2.950 19.032 1.00 0.00 O ATOM 0 H GLY A 75 -15.520 0.875 20.464 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.834 0.859 20.726 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.822 2.516 21.297 1.00 0.00 H new ATOM 1064 N THR A 76 -17.153 1.974 18.078 1.00 0.00 N ATOM 1065 CA THR A 76 -17.645 2.092 16.678 1.00 0.00 C ATOM 1066 C THR A 76 -18.697 0.990 16.321 1.00 0.00 C ATOM 1067 O THR A 76 -18.504 -0.197 16.601 1.00 0.00 O ATOM 1068 CB THR A 76 -16.442 2.117 15.680 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.900 2.351 14.357 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.559 0.862 15.583 1.00 0.00 C ATOM 0 H THR A 76 -16.208 1.597 18.148 1.00 0.00 H new ATOM 0 HA THR A 76 -18.174 3.041 16.587 1.00 0.00 H new ATOM 0 HB THR A 76 -15.826 2.910 16.104 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.136 2.366 13.744 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.768 1.029 14.852 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.115 0.653 16.556 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.167 0.012 15.272 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.774 1.379 15.618 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.700 0.407 14.949 1.00 0.00 C ATOM 1080 C LYS A 77 -20.155 -0.379 13.695 1.00 0.00 C ATOM 1081 O LYS A 77 -20.911 -1.144 13.090 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.056 1.133 14.679 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.024 2.314 13.678 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.319 3.136 13.542 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.378 2.475 12.650 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.533 3.380 12.501 1.00 0.00 N ATOM 0 H LYS A 77 -20.038 2.356 15.490 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.827 -0.418 15.650 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.770 0.395 14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.439 1.503 15.630 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.221 2.989 13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.765 1.921 12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.742 3.298 14.534 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.075 4.117 13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.954 2.246 11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.698 1.529 13.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.071 3.119 11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -26.146 3.300 13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.197 4.360 12.410 1.00 0.00 H new ATOM 1099 N MET A 78 -18.863 -0.245 13.317 1.00 0.00 N ATOM 1100 CA MET A 78 -18.246 -1.034 12.221 1.00 0.00 C ATOM 1101 C MET A 78 -17.930 -2.500 12.661 1.00 0.00 C ATOM 1102 O MET A 78 -16.983 -2.754 13.416 1.00 0.00 O ATOM 1103 CB MET A 78 -17.002 -0.269 11.684 1.00 0.00 C ATOM 1104 CG MET A 78 -16.324 -0.971 10.489 1.00 0.00 C ATOM 1105 SD MET A 78 -15.584 0.216 9.295 1.00 0.00 S ATOM 1106 CE MET A 78 -13.873 -0.404 9.451 1.00 0.00 C ATOM 0 H MET A 78 -18.219 0.410 13.760 1.00 0.00 H new ATOM 0 HA MET A 78 -18.958 -1.137 11.402 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.303 0.735 11.384 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.277 -0.157 12.490 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.547 -1.640 10.859 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.058 -1.590 9.972 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.216 0.175 8.802 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.543 -0.304 10.485 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.838 -1.454 9.159 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.700 -3.465 12.125 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.439 -4.913 12.331 1.00 0.00 C ATOM 1118 C ALA A 79 -17.363 -5.486 11.348 1.00 0.00 C ATOM 1119 O ALA A 79 -17.651 -6.230 10.405 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.810 -5.615 12.264 1.00 0.00 C ATOM 0 H ALA A 79 -19.514 -3.272 11.542 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.985 -5.097 13.305 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.677 -6.687 12.410 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.459 -5.220 13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.264 -5.435 11.289 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.099 -5.126 11.613 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.920 -5.604 10.849 1.00 0.00 C ATOM 1128 C PHE A 80 -13.815 -6.012 11.873 1.00 0.00 C ATOM 1129 O PHE A 80 -13.447 -5.232 12.758 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.474 -4.489 9.858 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.364 -4.915 8.882 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.670 -5.751 7.803 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.033 -4.543 9.106 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.657 -6.233 6.979 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.022 -5.020 8.274 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.334 -5.874 7.219 1.00 0.00 C ATOM 0 H PHE A 80 -15.856 -4.488 12.371 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.146 -6.482 10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.341 -4.162 9.284 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.128 -3.628 10.430 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.697 -6.024 7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.789 -3.884 9.926 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.898 -6.886 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.997 -4.728 8.447 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.548 -6.258 6.586 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.277 -7.237 11.747 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.238 -7.752 12.677 1.00 0.00 C ATOM 1148 C ALA A 81 -10.819 -7.136 12.466 1.00 0.00 C ATOM 1149 O ALA A 81 -10.294 -6.509 13.392 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.277 -9.292 12.600 1.00 0.00 C ATOM 0 H ALA A 81 -13.539 -7.895 11.013 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.469 -7.430 13.692 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.526 -9.709 13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.265 -9.646 12.896 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.068 -9.611 11.579 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.204 -7.301 11.279 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.844 -6.766 11.035 1.00 0.00 C ATOM 1158 C GLY A 82 -8.137 -7.219 9.742 1.00 0.00 C ATOM 1159 O GLY A 82 -8.211 -8.382 9.340 1.00 0.00 O ATOM 0 H GLY A 82 -10.616 -7.791 10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.905 -5.678 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.214 -7.042 11.881 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.350 -6.304 9.160 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.312 -6.638 8.147 1.00 0.00 C ATOM 1165 C LEU A 83 -4.915 -6.839 8.849 1.00 0.00 C ATOM 1166 O LEU A 83 -4.311 -5.831 9.250 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.249 -5.524 7.059 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.416 -5.463 6.040 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.312 -4.204 5.164 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -7.462 -6.697 5.119 1.00 0.00 C ATOM 0 H LEU A 83 -7.407 -5.308 9.371 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.576 -7.574 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.191 -4.560 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.320 -5.648 6.502 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.331 -5.438 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.141 -4.183 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.351 -3.317 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.369 -4.218 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.298 -6.603 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.530 -6.767 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.590 -7.596 5.722 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.345 -8.077 9.003 1.00 0.00 N ATOM 1183 CA PRO A 84 -2.995 -8.280 9.611 1.00 0.00 C ATOM 1184 C PRO A 84 -1.752 -7.944 8.718 1.00 0.00 C ATOM 1185 O PRO A 84 -0.770 -7.402 9.237 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.063 -9.756 10.051 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.011 -10.428 9.056 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.053 -9.352 8.746 1.00 0.00 C ATOM 0 HA PRO A 84 -2.815 -7.571 10.419 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.077 -10.219 10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.435 -9.846 11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.485 -10.744 8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.472 -11.318 9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.397 -9.416 7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.933 -9.454 9.382 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.789 -8.206 7.398 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.675 -7.906 6.464 1.00 0.00 C ATOM 1198 C LYS A 85 -0.613 -6.392 6.087 1.00 0.00 C ATOM 1199 O LYS A 85 -1.581 -5.813 5.580 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.874 -8.763 5.185 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.673 -10.292 5.342 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.984 -11.070 4.045 1.00 0.00 C ATOM 1203 CE LYS A 85 -2.486 -11.359 3.846 1.00 0.00 C ATOM 1204 NZ LYS A 85 -2.764 -11.680 2.431 1.00 0.00 N ATOM 0 H LYS A 85 -2.595 -8.634 6.942 1.00 0.00 H new ATOM 0 HA LYS A 85 0.268 -8.148 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.882 -8.588 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.183 -8.404 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.356 -10.490 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.315 -10.658 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.616 -10.500 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.439 -12.014 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.790 -12.191 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.073 -10.493 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.668 -12.190 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.820 -10.800 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.000 -12.276 2.054 1.00 0.00 H new ATOM 1217 N ILE A 86 0.565 -5.775 6.283 1.00 0.00 N ATOM 1218 CA ILE A 86 0.899 -4.430 5.706 1.00 0.00 C ATOM 1219 C ILE A 86 0.678 -4.272 4.159 1.00 0.00 C ATOM 1220 O ILE A 86 0.119 -3.263 3.726 1.00 0.00 O ATOM 1221 CB ILE A 86 2.324 -3.992 6.192 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.699 -2.519 5.862 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.482 -4.907 5.702 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.845 -1.443 6.553 1.00 0.00 C ATOM 0 H ILE A 86 1.318 -6.179 6.840 1.00 0.00 H new ATOM 0 HA ILE A 86 0.160 -3.731 6.099 1.00 0.00 H new ATOM 0 HB ILE A 86 2.225 -4.094 7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.742 -2.359 6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.626 -2.378 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.430 -4.530 6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.322 -5.922 6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.506 -4.911 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.192 -0.454 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.801 -1.565 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.935 -1.546 7.634 1.00 0.00 H new ATOM 1236 N GLU A 87 1.064 -5.280 3.357 1.00 0.00 N ATOM 1237 CA GLU A 87 0.780 -5.365 1.899 1.00 0.00 C ATOM 1238 C GLU A 87 -0.720 -5.175 1.495 1.00 0.00 C ATOM 1239 O GLU A 87 -1.007 -4.321 0.656 1.00 0.00 O ATOM 1240 CB GLU A 87 1.340 -6.715 1.351 1.00 0.00 C ATOM 1241 CG GLU A 87 2.853 -7.018 1.544 1.00 0.00 C ATOM 1242 CD GLU A 87 3.291 -7.633 2.881 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.590 -7.701 3.890 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.570 -8.095 2.826 1.00 0.00 O ATOM 0 H GLU A 87 1.594 -6.079 3.704 1.00 0.00 H new ATOM 0 HA GLU A 87 1.286 -4.516 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.777 -7.523 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.127 -6.754 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.165 -7.692 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.402 -6.086 1.407 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.675 -5.900 2.117 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.137 -5.647 1.932 1.00 0.00 C ATOM 1253 C ASP A 88 -3.618 -4.210 2.337 1.00 0.00 C ATOM 1254 O ASP A 88 -4.382 -3.598 1.587 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.958 -6.734 2.679 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.889 -8.159 2.126 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.666 -8.730 2.311 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.842 -8.738 1.615 1.00 0.00 O ATOM 0 H ASP A 88 -1.468 -6.669 2.755 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.315 -5.706 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.625 -6.757 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.003 -6.424 2.687 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.152 -3.666 3.479 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.401 -2.249 3.878 1.00 0.00 C ATOM 1265 C ARG A 89 -2.810 -1.174 2.906 1.00 0.00 C ATOM 1266 O ARG A 89 -3.559 -0.313 2.444 1.00 0.00 O ATOM 1267 CB ARG A 89 -2.918 -2.009 5.337 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.516 -2.950 6.413 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.304 -2.505 7.869 1.00 0.00 C ATOM 1270 NE ARG A 89 -1.872 -2.463 8.299 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.190 -3.476 8.829 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.650 -4.690 8.903 1.00 0.00 N ATOM 1273 NH2 ARG A 89 0.002 -3.252 9.292 1.00 0.00 N ATOM 0 H ARG A 89 -2.593 -4.187 4.155 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.481 -2.113 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.833 -2.106 5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.152 -0.980 5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.587 -3.046 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.081 -3.941 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.740 -1.515 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.849 -3.183 8.526 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.375 -1.581 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.580 -4.906 8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.081 -5.426 9.320 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.399 -2.314 9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.541 -4.014 9.702 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.507 -1.230 2.570 1.00 0.00 N ATOM 1288 CA ALA A 90 -0.890 -0.360 1.532 1.00 0.00 C ATOM 1289 C ALA A 90 -1.455 -0.490 0.075 1.00 0.00 C ATOM 1290 O ALA A 90 -1.661 0.538 -0.575 1.00 0.00 O ATOM 1291 CB ALA A 90 0.627 -0.607 1.619 1.00 0.00 C ATOM 0 H ALA A 90 -0.848 -1.876 3.005 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.153 0.675 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.139 0.007 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.982 -0.344 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.836 -1.659 1.426 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.778 -1.706 -0.418 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.584 -1.900 -1.661 1.00 0.00 C ATOM 1299 C ASN A 91 -4.007 -1.243 -1.608 1.00 0.00 C ATOM 1300 O ASN A 91 -4.345 -0.450 -2.492 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.673 -3.417 -1.994 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.398 -4.118 -2.483 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -1.315 -5.415 -2.324 1.00 0.00 O flip ATOM 1304 ND2 ASN A 91 -0.490 -3.538 -3.066 1.00 0.00 N flip ATOM 0 H ASN A 91 -1.494 -2.580 0.025 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.062 -1.376 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.019 -3.936 -1.100 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.441 -3.548 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.534 -2.528 -3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.310 -4.065 -3.416 1.00 0.00 H new ATOM 1311 N LEU A 92 -4.817 -1.531 -0.567 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.093 -0.810 -0.291 1.00 0.00 C ATOM 1313 C LEU A 92 -5.987 0.745 -0.173 1.00 0.00 C ATOM 1314 O LEU A 92 -6.760 1.445 -0.827 1.00 0.00 O ATOM 1315 CB LEU A 92 -6.714 -1.466 0.970 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.117 -0.975 1.408 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.215 -1.298 0.382 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.480 -1.610 2.753 1.00 0.00 C ATOM 0 H LEU A 92 -4.612 -2.267 0.109 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.740 -0.919 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.771 -2.541 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.028 -1.313 1.803 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.064 0.111 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.174 -0.929 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.978 -0.818 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.273 -2.377 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.467 -1.266 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.489 -2.695 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.743 -1.321 3.502 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.043 1.288 0.615 1.00 0.00 N ATOM 1331 CA ILE A 93 -4.793 2.758 0.713 1.00 0.00 C ATOM 1332 C ILE A 93 -4.309 3.403 -0.639 1.00 0.00 C ATOM 1333 O ILE A 93 -4.800 4.483 -0.967 1.00 0.00 O ATOM 1334 CB ILE A 93 -3.917 3.033 1.989 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.683 2.692 3.311 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.388 4.490 2.078 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -3.813 2.567 4.572 1.00 0.00 C ATOM 0 H ILE A 93 -4.426 0.731 1.206 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.730 3.294 0.864 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.059 2.370 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.433 3.464 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.219 1.754 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.792 4.606 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.770 4.707 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.230 5.182 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.445 2.329 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.080 1.773 4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.297 3.510 4.753 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.454 2.754 -1.458 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.259 3.133 -2.888 1.00 0.00 C ATOM 1351 C ALA A 94 -4.547 3.179 -3.788 1.00 0.00 C ATOM 1352 O ALA A 94 -4.731 4.146 -4.533 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.181 2.189 -3.453 1.00 0.00 C ATOM 0 H ALA A 94 -2.884 1.963 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.947 4.177 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.002 2.427 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.256 2.314 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.521 1.157 -3.369 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.463 2.192 -3.686 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.846 2.308 -4.243 1.00 0.00 C ATOM 1361 C TYR A 95 -7.737 3.447 -3.630 1.00 0.00 C ATOM 1362 O TYR A 95 -8.361 4.182 -4.396 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.502 0.901 -4.182 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.888 0.787 -4.839 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.017 0.814 -6.232 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.035 0.683 -4.045 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.277 0.747 -6.821 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.293 0.612 -4.638 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.413 0.643 -6.024 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.643 0.556 -6.617 1.00 0.00 O ATOM 0 H TYR A 95 -5.278 1.302 -3.224 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.763 2.641 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.833 0.186 -4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.589 0.605 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.136 0.887 -6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.945 0.658 -2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.373 0.776 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.176 0.533 -4.022 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.245 0.034 -6.047 1.00 0.00 H new ATOM 1380 N LEU A 96 -7.794 3.622 -2.297 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.465 4.796 -1.653 1.00 0.00 C ATOM 1382 C LEU A 96 -7.855 6.209 -1.988 1.00 0.00 C ATOM 1383 O LEU A 96 -8.612 7.174 -2.091 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.576 4.568 -0.117 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.350 3.320 0.397 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.192 3.182 1.922 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.844 3.346 0.030 1.00 0.00 C ATOM 0 H LEU A 96 -7.384 2.968 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.458 4.839 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.564 4.518 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.047 5.451 0.315 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.911 2.456 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.739 2.304 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.136 3.072 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.589 4.072 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.329 2.449 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.311 4.228 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.952 3.379 -1.054 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.529 6.335 -2.204 1.00 0.00 N ATOM 1400 CA GLU A 97 -5.902 7.502 -2.901 1.00 0.00 C ATOM 1401 C GLU A 97 -6.326 7.708 -4.401 1.00 0.00 C ATOM 1402 O GLU A 97 -6.517 8.851 -4.820 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.356 7.386 -2.777 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.785 7.618 -1.356 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.288 7.346 -1.247 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -1.538 8.445 -1.535 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.810 6.260 -0.934 1.00 0.00 O ATOM 0 H GLU A 97 -5.852 5.634 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.278 8.393 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.055 6.394 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.899 8.106 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.981 8.648 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.315 6.976 -0.652 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.508 6.638 -5.202 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.280 6.715 -6.479 1.00 0.00 C ATOM 1416 C GLY A 98 -8.779 7.119 -6.393 1.00 0.00 C ATOM 1417 O GLY A 98 -9.241 7.935 -7.189 1.00 0.00 O ATOM 0 H GLY A 98 -6.136 5.711 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.777 7.428 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.222 5.741 -6.965 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.529 6.568 -5.426 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.925 6.999 -5.105 1.00 0.00 C ATOM 1423 C GLN A 99 -10.998 8.185 -4.070 1.00 0.00 C ATOM 1424 O GLN A 99 -11.705 8.118 -3.057 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.688 5.734 -4.607 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.839 4.527 -5.575 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.709 4.787 -6.808 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.932 4.712 -6.770 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.116 5.110 -7.932 1.00 0.00 N ATOM 0 H GLN A 99 -9.195 5.807 -4.835 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.393 7.407 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.185 5.377 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.689 6.047 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.847 4.222 -5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.262 3.688 -5.022 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.099 5.175 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.672 5.297 -8.767 1.00 0.00 H new