USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 719 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 70 THR OG1 : rot 180:sc= 0.0568 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.0211 X(o=0.036,f=0.25) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.0316 X(o=0.44,f=0.51) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.474 K(o=0.44,f=-0.3) USER MOD Set 3.1: A 10 GLN : amide:sc= 0.546 K(o=1.7,f=0.67) USER MOD Set 3.2: A 26 CYS SG : rot 68:sc= 1.17 USER MOD Set 4.1: A 12 ASN : amide:sc= 0.866 K(o=2.1,f=-5.5!) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 175:sc= 1.19 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0852 X(o=-0.085,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0751 K(o=-0.075,f=-3.1!) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 2.58 (180deg=2.28) USER MOD Single : A 13 SER OG : rot 87:sc= 1.3 USER MOD Single : A 17 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00778 USER MOD Single : A 32 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 34 GLN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 70:sc= 0.014 USER MOD Single : A 42 SER OG : rot -150:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.02 K(o=1,f=-1.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -169:sc= -0.0171 (180deg=-0.197) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.033) USER MOD Single : A 59 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.4) USER MOD Single : A 60 MET CE :methyl -140:sc=-0.00189 (180deg=-0.572) USER MOD Single : A 61 CYS SG : rot 77:sc= 0.581 USER MOD Single : A 62 GLN : amide:sc= 0.855 K(o=0.85,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.938 K(o=-0.94,f=-0.049) USER MOD Single : A 67 TYR OH : rot 103:sc= 0.00483 USER MOD Single : A 68 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.595 K(o=0.6,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.622 K(o=0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 15.457 8.959 -11.340 1.00 0.00 N ATOM 31 CA GLN A 3 16.000 8.925 -9.978 1.00 0.00 C ATOM 32 C GLN A 3 14.899 8.988 -8.906 1.00 0.00 C ATOM 33 O GLN A 3 14.957 8.247 -7.922 1.00 0.00 O ATOM 34 CB GLN A 3 17.016 10.065 -9.801 1.00 0.00 C ATOM 35 CG GLN A 3 18.324 9.801 -10.568 1.00 0.00 C ATOM 36 CD GLN A 3 19.131 8.658 -9.960 1.00 0.00 C ATOM 37 OE1 GLN A 3 19.061 7.508 -10.375 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.895 8.922 -8.927 1.00 0.00 N ATOM 0 HA GLN A 3 16.505 7.969 -9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.575 11.000 -10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.237 10.191 -8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 3 18.092 9.567 -11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.929 10.708 -10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.961 9.876 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.423 8.173 -8.478 1.00 0.00 H new ATOM 47 N PHE A 4 13.837 9.774 -9.124 1.00 0.00 N ATOM 48 CA PHE A 4 12.727 9.877 -8.167 1.00 0.00 C ATOM 49 C PHE A 4 11.798 8.640 -8.151 1.00 0.00 C ATOM 50 O PHE A 4 10.994 8.482 -7.232 1.00 0.00 O ATOM 51 CB PHE A 4 12.030 11.251 -8.295 1.00 0.00 C ATOM 52 CG PHE A 4 10.541 11.262 -8.600 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.055 10.660 -9.775 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.644 11.906 -7.723 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.675 10.647 -10.039 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.262 11.917 -7.995 1.00 0.00 C ATOM 57 CZ PHE A 4 7.784 11.273 -9.151 1.00 0.00 C ATOM 0 H PHE A 4 13.723 10.350 -9.958 1.00 0.00 H new ATOM 0 HA PHE A 4 13.139 9.850 -7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.185 11.794 -7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.537 11.813 -9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.743 10.208 -10.474 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.019 12.395 -6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.299 10.156 -10.924 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.577 12.414 -7.324 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.724 11.260 -9.357 1.00 0.00 H new ATOM 67 N GLU A 5 11.931 7.723 -9.117 1.00 0.00 N ATOM 68 CA GLU A 5 11.246 6.424 -9.149 1.00 0.00 C ATOM 69 C GLU A 5 12.052 5.332 -8.426 1.00 0.00 C ATOM 70 O GLU A 5 11.465 4.518 -7.709 1.00 0.00 O ATOM 71 CB GLU A 5 10.962 6.022 -10.605 1.00 0.00 C ATOM 72 CG GLU A 5 10.014 6.976 -11.351 1.00 0.00 C ATOM 73 CD GLU A 5 8.536 6.735 -11.021 1.00 0.00 C ATOM 74 OE1 GLU A 5 8.165 6.631 -9.831 1.00 0.00 O ATOM 75 OE2 GLU A 5 7.726 6.637 -11.976 1.00 0.00 O ATOM 0 H GLU A 5 12.538 7.869 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 5 10.301 6.526 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.907 5.970 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.533 5.020 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.273 8.005 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.164 6.862 -12.425 1.00 0.00 H new ATOM 83 N LYS A 6 13.392 5.344 -8.523 1.00 0.00 N ATOM 84 CA LYS A 6 14.249 4.409 -7.766 1.00 0.00 C ATOM 85 C LYS A 6 14.481 4.825 -6.307 1.00 0.00 C ATOM 86 O LYS A 6 14.684 3.947 -5.465 1.00 0.00 O ATOM 87 CB LYS A 6 15.517 4.032 -8.560 1.00 0.00 C ATOM 88 CG LYS A 6 16.526 5.149 -8.883 1.00 0.00 C ATOM 89 CD LYS A 6 17.450 5.605 -7.741 1.00 0.00 C ATOM 90 CE LYS A 6 18.311 4.458 -7.195 1.00 0.00 C ATOM 91 NZ LYS A 6 19.275 4.944 -6.183 1.00 0.00 N ATOM 0 H LYS A 6 13.908 5.991 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 6 13.694 3.477 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.043 3.258 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.200 3.585 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.151 4.813 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.969 6.017 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.099 6.405 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.848 6.020 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.668 3.697 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.850 3.983 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.842 4.146 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.903 5.653 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.758 5.376 -5.390 1.00 0.00 H new ATOM 105 N GLN A 7 14.365 6.116 -5.965 1.00 0.00 N ATOM 106 CA GLN A 7 14.470 6.587 -4.577 1.00 0.00 C ATOM 107 C GLN A 7 13.226 6.236 -3.730 1.00 0.00 C ATOM 108 O GLN A 7 13.358 5.947 -2.540 1.00 0.00 O ATOM 109 CB GLN A 7 14.882 8.078 -4.541 1.00 0.00 C ATOM 110 CG GLN A 7 13.763 9.124 -4.390 1.00 0.00 C ATOM 111 CD GLN A 7 14.293 10.564 -4.437 1.00 0.00 C ATOM 112 OE1 GLN A 7 14.090 11.306 -5.391 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.972 11.033 -3.415 1.00 0.00 N ATOM 0 H GLN A 7 14.196 6.861 -6.641 1.00 0.00 H new ATOM 0 HA GLN A 7 15.274 6.039 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.582 8.213 -3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.426 8.298 -5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.030 8.984 -5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.244 8.962 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.155 10.437 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.316 11.993 -3.429 1.00 0.00 H new ATOM 122 N LYS A 8 12.025 6.150 -4.335 1.00 0.00 N ATOM 123 CA LYS A 8 10.821 5.644 -3.639 1.00 0.00 C ATOM 124 C LYS A 8 10.846 4.123 -3.427 1.00 0.00 C ATOM 125 O LYS A 8 10.425 3.650 -2.373 1.00 0.00 O ATOM 126 CB LYS A 8 9.521 6.160 -4.287 1.00 0.00 C ATOM 127 CG LYS A 8 9.249 5.725 -5.736 1.00 0.00 C ATOM 128 CD LYS A 8 7.841 6.121 -6.219 1.00 0.00 C ATOM 129 CE LYS A 8 7.570 7.627 -6.372 1.00 0.00 C ATOM 130 NZ LYS A 8 8.197 8.187 -7.592 1.00 0.00 N ATOM 0 H LYS A 8 11.861 6.424 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 8 10.839 6.063 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.682 5.835 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.535 7.249 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.994 6.175 -6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.366 4.644 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.663 5.642 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.112 5.712 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.494 7.799 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.949 8.154 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.743 9.091 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.211 8.344 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.078 7.520 -8.381 1.00 0.00 H new ATOM 144 N GLU A 9 11.444 3.374 -4.354 1.00 0.00 N ATOM 145 CA GLU A 9 11.737 1.942 -4.177 1.00 0.00 C ATOM 146 C GLU A 9 12.781 1.683 -3.075 1.00 0.00 C ATOM 147 O GLU A 9 12.612 0.753 -2.280 1.00 0.00 O ATOM 148 CB GLU A 9 12.171 1.335 -5.525 1.00 0.00 C ATOM 149 CG GLU A 9 10.964 0.999 -6.420 1.00 0.00 C ATOM 150 CD GLU A 9 10.347 -0.364 -6.058 1.00 0.00 C ATOM 151 OE1 GLU A 9 10.312 -0.718 -4.857 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.813 -1.095 -6.932 1.00 0.00 O ATOM 0 H GLU A 9 11.743 3.742 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 9 10.824 1.449 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.824 2.036 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.752 0.431 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.209 1.778 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.277 0.991 -7.464 1.00 0.00 H new ATOM 160 N GLN A 10 13.797 2.549 -2.932 1.00 0.00 N ATOM 161 CA GLN A 10 14.691 2.516 -1.764 1.00 0.00 C ATOM 162 C GLN A 10 13.890 2.722 -0.464 1.00 0.00 C ATOM 163 O GLN A 10 14.067 1.968 0.489 1.00 0.00 O ATOM 164 CB GLN A 10 15.812 3.568 -1.892 1.00 0.00 C ATOM 165 CG GLN A 10 16.929 3.323 -0.858 1.00 0.00 C ATOM 166 CD GLN A 10 17.846 4.528 -0.659 1.00 0.00 C ATOM 167 OE1 GLN A 10 18.930 4.627 -1.214 1.00 0.00 O ATOM 168 NE2 GLN A 10 17.463 5.488 0.151 1.00 0.00 N ATOM 0 H GLN A 10 14.019 3.279 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 10 15.161 1.533 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.231 3.536 -2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.396 4.566 -1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.477 3.058 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.527 2.469 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.562 5.426 0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.067 6.295 0.306 1.00 0.00 H new ATOM 177 N GLY A 11 12.962 3.686 -0.437 1.00 0.00 N ATOM 178 CA GLY A 11 12.070 3.922 0.705 1.00 0.00 C ATOM 179 C GLY A 11 11.273 2.678 1.123 1.00 0.00 C ATOM 180 O GLY A 11 11.320 2.285 2.290 1.00 0.00 O ATOM 0 H GLY A 11 12.808 4.329 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.661 4.268 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.374 4.723 0.454 1.00 0.00 H new ATOM 184 N ASN A 12 10.602 2.004 0.180 1.00 0.00 N ATOM 185 CA ASN A 12 9.851 0.772 0.474 1.00 0.00 C ATOM 186 C ASN A 12 10.766 -0.350 1.003 1.00 0.00 C ATOM 187 O ASN A 12 10.435 -1.025 1.981 1.00 0.00 O ATOM 188 CB ASN A 12 9.087 0.329 -0.788 1.00 0.00 C ATOM 189 CG ASN A 12 7.922 -0.611 -0.488 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.474 -0.743 0.639 1.00 0.00 O ATOM 191 ND2 ASN A 12 7.374 -1.289 -1.467 1.00 0.00 N ATOM 0 H ASN A 12 10.563 2.291 -0.798 1.00 0.00 H new ATOM 0 HA ASN A 12 9.136 0.982 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.709 1.211 -1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.779 -0.167 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.589 -1.912 -1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.733 -1.193 -2.417 1.00 0.00 H new ATOM 198 N SER A 13 11.956 -0.482 0.410 1.00 0.00 N ATOM 199 CA SER A 13 12.975 -1.462 0.805 1.00 0.00 C ATOM 200 C SER A 13 13.507 -1.213 2.225 1.00 0.00 C ATOM 201 O SER A 13 13.725 -2.158 2.983 1.00 0.00 O ATOM 202 CB SER A 13 14.133 -1.448 -0.202 1.00 0.00 C ATOM 203 OG SER A 13 13.661 -1.619 -1.529 1.00 0.00 O ATOM 0 H SER A 13 12.245 0.101 -0.375 1.00 0.00 H new ATOM 0 HA SER A 13 12.500 -2.443 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.674 -0.505 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.839 -2.242 0.041 1.00 0.00 H new ATOM 0 HG SER A 13 13.415 -0.748 -1.903 1.00 0.00 H new ATOM 209 N LEU A 14 13.661 0.051 2.636 1.00 0.00 N ATOM 210 CA LEU A 14 14.082 0.437 3.990 1.00 0.00 C ATOM 211 C LEU A 14 12.994 0.143 5.042 1.00 0.00 C ATOM 212 O LEU A 14 13.313 -0.395 6.108 1.00 0.00 O ATOM 213 CB LEU A 14 14.500 1.920 3.977 1.00 0.00 C ATOM 214 CG LEU A 14 15.822 2.208 3.239 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.953 3.712 2.996 1.00 0.00 C ATOM 216 CD2 LEU A 14 17.042 1.753 4.038 1.00 0.00 C ATOM 0 H LEU A 14 13.493 0.851 2.026 1.00 0.00 H new ATOM 0 HA LEU A 14 14.939 -0.168 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.705 2.504 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.591 2.267 5.006 1.00 0.00 H new ATOM 0 HG LEU A 14 15.793 1.653 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.888 3.916 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.116 4.057 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.949 4.237 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.949 1.977 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.067 2.277 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.981 0.679 4.215 1.00 0.00 H new ATOM 228 N PHE A 15 11.708 0.365 4.726 1.00 0.00 N ATOM 229 CA PHE A 15 10.589 -0.138 5.547 1.00 0.00 C ATOM 230 C PHE A 15 10.567 -1.671 5.636 1.00 0.00 C ATOM 231 O PHE A 15 10.134 -2.226 6.645 1.00 0.00 O ATOM 232 CB PHE A 15 9.237 0.361 5.014 1.00 0.00 C ATOM 233 CG PHE A 15 8.940 1.823 5.294 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.741 2.247 6.622 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.787 2.747 4.242 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.486 3.599 6.906 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.512 4.098 4.523 1.00 0.00 C ATOM 238 CZ PHE A 15 8.385 4.527 5.857 1.00 0.00 C ATOM 0 H PHE A 15 11.414 0.892 3.904 1.00 0.00 H new ATOM 0 HA PHE A 15 10.751 0.257 6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.205 0.199 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.444 -0.246 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.785 1.528 7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.881 2.418 3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.368 3.924 7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.398 4.806 3.715 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.210 5.570 6.074 1.00 0.00 H new ATOM 248 N LYS A 16 11.077 -2.368 4.613 1.00 0.00 N ATOM 249 CA LYS A 16 11.238 -3.834 4.586 1.00 0.00 C ATOM 250 C LYS A 16 12.411 -4.373 5.418 1.00 0.00 C ATOM 251 O LYS A 16 12.504 -5.588 5.585 1.00 0.00 O ATOM 252 CB LYS A 16 11.293 -4.314 3.117 1.00 0.00 C ATOM 253 CG LYS A 16 10.249 -5.383 2.756 1.00 0.00 C ATOM 254 CD LYS A 16 8.788 -5.040 3.109 1.00 0.00 C ATOM 255 CE LYS A 16 8.348 -3.599 2.818 1.00 0.00 C ATOM 256 NZ LYS A 16 8.182 -3.350 1.375 1.00 0.00 N ATOM 0 H LYS A 16 11.399 -1.919 3.756 1.00 0.00 H new ATOM 0 HA LYS A 16 10.363 -4.256 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.155 -3.454 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.287 -4.713 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.309 -5.575 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.517 -6.311 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.134 -5.717 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.635 -5.239 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.407 -3.397 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.086 -2.906 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.803 -2.392 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.103 -3.434 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.522 -4.048 0.976 1.00 0.00 H new ATOM 270 N GLN A 17 13.272 -3.512 5.969 1.00 0.00 N ATOM 271 CA GLN A 17 14.342 -3.877 6.923 1.00 0.00 C ATOM 272 C GLN A 17 14.081 -3.348 8.346 1.00 0.00 C ATOM 273 O GLN A 17 14.482 -3.973 9.328 1.00 0.00 O ATOM 274 CB GLN A 17 15.683 -3.340 6.399 1.00 0.00 C ATOM 275 CG GLN A 17 16.229 -4.181 5.233 1.00 0.00 C ATOM 276 CD GLN A 17 17.089 -3.349 4.295 1.00 0.00 C ATOM 277 OE1 GLN A 17 18.315 -3.380 4.301 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.463 -2.558 3.455 1.00 0.00 N ATOM 0 H GLN A 17 13.249 -2.513 5.763 1.00 0.00 H new ATOM 0 HA GLN A 17 14.365 -4.964 6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.557 -2.308 6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.411 -3.331 7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.817 -5.010 5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.398 -4.615 4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.443 -2.528 3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.996 -1.973 2.812 1.00 0.00 H new ATOM 287 N GLY A 18 13.410 -2.199 8.465 1.00 0.00 N ATOM 288 CA GLY A 18 13.113 -1.541 9.752 1.00 0.00 C ATOM 289 C GLY A 18 13.798 -0.183 9.944 1.00 0.00 C ATOM 290 O GLY A 18 13.737 0.396 11.028 1.00 0.00 O ATOM 0 H GLY A 18 13.050 -1.687 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.035 -1.405 9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.415 -2.204 10.563 1.00 0.00 H new ATOM 294 N LEU A 19 14.424 0.354 8.893 1.00 0.00 N ATOM 295 CA LEU A 19 15.072 1.671 8.855 1.00 0.00 C ATOM 296 C LEU A 19 14.041 2.761 8.560 1.00 0.00 C ATOM 297 O LEU A 19 14.157 3.517 7.600 1.00 0.00 O ATOM 298 CB LEU A 19 16.257 1.630 7.873 1.00 0.00 C ATOM 299 CG LEU A 19 17.399 0.685 8.293 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.472 0.688 7.208 1.00 0.00 C ATOM 301 CD2 LEU A 19 18.046 1.102 9.615 1.00 0.00 C ATOM 0 H LEU A 19 14.497 -0.139 8.003 1.00 0.00 H new ATOM 0 HA LEU A 19 15.490 1.926 9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.891 1.324 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.657 2.638 7.763 1.00 0.00 H new ATOM 0 HG LEU A 19 16.969 -0.308 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.284 0.021 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.040 0.346 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.860 1.699 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.844 0.404 9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.459 2.106 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.296 1.094 10.406 1.00 0.00 H new ATOM 313 N TYR A 20 12.992 2.799 9.384 1.00 0.00 N ATOM 314 CA TYR A 20 11.817 3.649 9.176 1.00 0.00 C ATOM 315 C TYR A 20 12.160 5.142 9.068 1.00 0.00 C ATOM 316 O TYR A 20 11.527 5.834 8.278 1.00 0.00 O ATOM 317 CB TYR A 20 10.804 3.442 10.312 1.00 0.00 C ATOM 318 CG TYR A 20 10.263 2.043 10.575 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.266 1.030 9.592 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.671 1.788 11.827 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.652 -0.215 9.852 1.00 0.00 C ATOM 322 CE2 TYR A 20 9.073 0.543 12.095 1.00 0.00 C ATOM 323 CZ TYR A 20 9.052 -0.461 11.105 1.00 0.00 C ATOM 324 OH TYR A 20 8.441 -1.650 11.356 1.00 0.00 O ATOM 0 H TYR A 20 12.934 2.231 10.229 1.00 0.00 H new ATOM 0 HA TYR A 20 11.386 3.346 8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 20 11.267 3.794 11.234 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.952 4.092 10.115 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.739 1.208 8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.676 2.555 12.588 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.642 -0.980 9.090 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.629 0.356 13.061 1.00 0.00 H new ATOM 0 HH TYR A 20 8.083 -1.648 12.268 1.00 0.00 H new ATOM 334 N ARG A 21 13.166 5.659 9.788 1.00 0.00 N ATOM 335 CA ARG A 21 13.517 7.094 9.736 1.00 0.00 C ATOM 336 C ARG A 21 14.297 7.444 8.466 1.00 0.00 C ATOM 337 O ARG A 21 14.077 8.519 7.904 1.00 0.00 O ATOM 338 CB ARG A 21 14.249 7.547 11.014 1.00 0.00 C ATOM 339 CG ARG A 21 13.336 7.714 12.250 1.00 0.00 C ATOM 340 CD ARG A 21 12.712 6.428 12.814 1.00 0.00 C ATOM 341 NE ARG A 21 13.733 5.430 13.179 1.00 0.00 N ATOM 342 CZ ARG A 21 13.537 4.181 13.561 1.00 0.00 C ATOM 343 NH1 ARG A 21 12.352 3.665 13.712 1.00 0.00 N ATOM 344 NH2 ARG A 21 14.558 3.410 13.777 1.00 0.00 N ATOM 0 H ARG A 21 13.753 5.109 10.414 1.00 0.00 H new ATOM 0 HA ARG A 21 12.583 7.654 9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.027 6.821 11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.747 8.496 10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.915 8.189 13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.530 8.400 11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.113 6.671 13.692 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.035 6.000 12.075 1.00 0.00 H new ATOM 0 HE ARG A 21 14.704 5.740 13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.523 4.231 13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.253 2.694 14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.504 3.770 13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.414 2.444 14.072 1.00 0.00 H new ATOM 358 N GLU A 22 15.117 6.528 7.945 1.00 0.00 N ATOM 359 CA GLU A 22 15.714 6.664 6.603 1.00 0.00 C ATOM 360 C GLU A 22 14.680 6.434 5.487 1.00 0.00 C ATOM 361 O GLU A 22 14.718 7.093 4.449 1.00 0.00 O ATOM 362 CB GLU A 22 16.914 5.715 6.437 1.00 0.00 C ATOM 363 CG GLU A 22 18.131 6.218 7.227 1.00 0.00 C ATOM 364 CD GLU A 22 19.347 5.287 7.130 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.833 4.838 8.197 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.904 5.084 6.021 1.00 0.00 O ATOM 0 H GLU A 22 15.388 5.674 8.433 1.00 0.00 H new ATOM 0 HA GLU A 22 16.069 7.690 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.642 4.717 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.172 5.631 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.409 7.206 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.853 6.333 8.275 1.00 0.00 H new ATOM 374 N ALA A 23 13.698 5.558 5.707 1.00 0.00 N ATOM 375 CA ALA A 23 12.593 5.360 4.774 1.00 0.00 C ATOM 376 C ALA A 23 11.669 6.594 4.690 1.00 0.00 C ATOM 377 O ALA A 23 11.305 7.029 3.595 1.00 0.00 O ATOM 378 CB ALA A 23 11.837 4.101 5.195 1.00 0.00 C ATOM 0 H ALA A 23 13.648 4.967 6.537 1.00 0.00 H new ATOM 0 HA ALA A 23 12.987 5.230 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.005 3.931 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.511 3.245 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.455 4.228 6.208 1.00 0.00 H new ATOM 384 N VAL A 24 11.374 7.227 5.832 1.00 0.00 N ATOM 385 CA VAL A 24 10.714 8.541 5.912 1.00 0.00 C ATOM 386 C VAL A 24 11.569 9.622 5.249 1.00 0.00 C ATOM 387 O VAL A 24 11.028 10.421 4.492 1.00 0.00 O ATOM 388 CB VAL A 24 10.359 8.895 7.372 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.952 10.360 7.557 1.00 0.00 C ATOM 390 CG2 VAL A 24 9.184 8.034 7.862 1.00 0.00 C ATOM 0 H VAL A 24 11.591 6.833 6.748 1.00 0.00 H new ATOM 0 HA VAL A 24 9.776 8.488 5.359 1.00 0.00 H new ATOM 0 HB VAL A 24 11.266 8.706 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.715 10.542 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.774 11.007 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.076 10.574 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.946 8.296 8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.313 8.214 7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.458 6.980 7.809 1.00 0.00 H new ATOM 400 N HIS A 25 12.900 9.601 5.416 1.00 0.00 N ATOM 401 CA HIS A 25 13.805 10.530 4.721 1.00 0.00 C ATOM 402 C HIS A 25 13.657 10.457 3.190 1.00 0.00 C ATOM 403 O HIS A 25 13.757 11.486 2.519 1.00 0.00 O ATOM 404 CB HIS A 25 15.259 10.287 5.165 1.00 0.00 C ATOM 405 CG HIS A 25 16.216 11.392 4.794 1.00 0.00 C ATOM 406 ND1 HIS A 25 16.976 11.480 3.649 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.544 12.467 5.574 1.00 0.00 C ATOM 408 CE1 HIS A 25 17.721 12.595 3.730 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.494 13.237 4.889 1.00 0.00 N ATOM 0 H HIS A 25 13.377 8.944 6.033 1.00 0.00 H new ATOM 0 HA HIS A 25 13.522 11.544 5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.278 10.154 6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.610 9.355 4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.140 12.685 6.551 1.00 0.00 H new ATOM 0 HE1 HIS A 25 18.409 12.930 2.968 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.925 14.106 5.205 1.00 0.00 H new ATOM 418 N CYS A 26 13.340 9.279 2.637 1.00 0.00 N ATOM 419 CA CYS A 26 13.080 9.104 1.206 1.00 0.00 C ATOM 420 C CYS A 26 11.745 9.717 0.751 1.00 0.00 C ATOM 421 O CYS A 26 11.721 10.338 -0.311 1.00 0.00 O ATOM 422 CB CYS A 26 13.158 7.615 0.837 1.00 0.00 C ATOM 423 SG CYS A 26 14.795 6.934 1.230 1.00 0.00 S ATOM 0 H CYS A 26 13.257 8.417 3.175 1.00 0.00 H new ATOM 0 HA CYS A 26 13.856 9.652 0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.390 7.062 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.953 7.489 -0.226 1.00 0.00 H new ATOM 0 HG CYS A 26 14.960 6.917 2.519 1.00 0.00 H new ATOM 429 N TYR A 27 10.653 9.614 1.526 1.00 0.00 N ATOM 430 CA TYR A 27 9.416 10.343 1.176 1.00 0.00 C ATOM 431 C TYR A 27 9.589 11.858 1.383 1.00 0.00 C ATOM 432 O TYR A 27 9.149 12.656 0.553 1.00 0.00 O ATOM 433 CB TYR A 27 8.151 9.743 1.842 1.00 0.00 C ATOM 434 CG TYR A 27 7.604 10.397 3.108 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.116 11.719 3.073 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.485 9.656 4.302 1.00 0.00 C ATOM 437 CE1 TYR A 27 6.623 12.328 4.239 1.00 0.00 C ATOM 438 CE2 TYR A 27 6.927 10.246 5.457 1.00 0.00 C ATOM 439 CZ TYR A 27 6.531 11.599 5.435 1.00 0.00 C ATOM 440 OH TYR A 27 6.016 12.209 6.532 1.00 0.00 O ATOM 0 H TYR A 27 10.596 9.052 2.375 1.00 0.00 H new ATOM 0 HA TYR A 27 9.238 10.204 0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.354 9.746 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.365 8.700 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.121 12.268 2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.823 8.631 4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.313 13.362 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.804 9.661 6.357 1.00 0.00 H new ATOM 0 HH TYR A 27 6.014 11.581 7.285 1.00 0.00 H new ATOM 450 N ASP A 28 10.290 12.259 2.447 1.00 0.00 N ATOM 451 CA ASP A 28 10.600 13.652 2.775 1.00 0.00 C ATOM 452 C ASP A 28 11.436 14.326 1.676 1.00 0.00 C ATOM 453 O ASP A 28 11.215 15.502 1.398 1.00 0.00 O ATOM 454 CB ASP A 28 11.304 13.682 4.144 1.00 0.00 C ATOM 455 CG ASP A 28 11.671 15.080 4.654 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.766 15.211 5.260 1.00 0.00 O ATOM 457 OD2 ASP A 28 10.868 16.034 4.498 1.00 0.00 O ATOM 0 H ASP A 28 10.670 11.600 3.126 1.00 0.00 H new ATOM 0 HA ASP A 28 9.677 14.229 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.657 13.202 4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.213 13.084 4.081 1.00 0.00 H new ATOM 463 N GLN A 29 12.308 13.597 0.964 1.00 0.00 N ATOM 464 CA GLN A 29 12.995 14.135 -0.220 1.00 0.00 C ATOM 465 C GLN A 29 12.011 14.542 -1.321 1.00 0.00 C ATOM 466 O GLN A 29 12.176 15.602 -1.930 1.00 0.00 O ATOM 467 CB GLN A 29 14.007 13.133 -0.810 1.00 0.00 C ATOM 468 CG GLN A 29 15.306 12.876 -0.022 1.00 0.00 C ATOM 469 CD GLN A 29 15.682 14.014 0.919 1.00 0.00 C ATOM 470 OE1 GLN A 29 16.284 15.010 0.537 1.00 0.00 O ATOM 471 NE2 GLN A 29 15.277 13.926 2.160 1.00 0.00 N ATOM 0 H GLN A 29 12.554 12.633 1.188 1.00 0.00 H new ATOM 0 HA GLN A 29 13.529 15.019 0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.498 12.178 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.282 13.482 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.195 11.959 0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.122 12.713 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.776 13.095 2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.462 14.688 2.812 1.00 0.00 H new ATOM 480 N LEU A 30 10.956 13.752 -1.548 1.00 0.00 N ATOM 481 CA LEU A 30 9.993 14.038 -2.616 1.00 0.00 C ATOM 482 C LEU A 30 9.221 15.332 -2.321 1.00 0.00 C ATOM 483 O LEU A 30 9.078 16.158 -3.219 1.00 0.00 O ATOM 484 CB LEU A 30 9.020 12.867 -2.851 1.00 0.00 C ATOM 485 CG LEU A 30 9.635 11.458 -2.909 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.569 10.471 -3.375 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.836 11.324 -3.844 1.00 0.00 C ATOM 0 H LEU A 30 10.748 12.912 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 30 10.564 14.172 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.274 12.880 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.492 13.046 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 30 9.993 11.250 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.996 9.469 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.734 10.479 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.215 10.759 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.203 10.298 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.536 11.579 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.627 12.000 -3.519 1.00 0.00 H new ATOM 499 N ILE A 31 8.790 15.533 -1.069 1.00 0.00 N ATOM 500 CA ILE A 31 8.104 16.762 -0.615 1.00 0.00 C ATOM 501 C ILE A 31 9.107 17.925 -0.426 1.00 0.00 C ATOM 502 O ILE A 31 8.736 19.093 -0.512 1.00 0.00 O ATOM 503 CB ILE A 31 7.259 16.504 0.667 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.433 15.191 0.613 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.291 17.680 0.913 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.647 14.887 1.893 1.00 0.00 C ATOM 0 H ILE A 31 8.907 14.841 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 31 7.407 17.062 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 31 7.978 16.408 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.735 15.249 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.107 14.359 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.706 17.488 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.861 18.600 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.621 17.784 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.098 13.953 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.338 14.794 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.945 15.697 2.090 1.00 0.00 H new ATOM 518 N THR A 32 10.398 17.650 -0.225 1.00 0.00 N ATOM 519 CA THR A 32 11.456 18.681 -0.191 1.00 0.00 C ATOM 520 C THR A 32 11.660 19.312 -1.572 1.00 0.00 C ATOM 521 O THR A 32 11.774 20.536 -1.665 1.00 0.00 O ATOM 522 CB THR A 32 12.776 18.106 0.355 1.00 0.00 C ATOM 523 OG1 THR A 32 12.594 17.717 1.696 1.00 0.00 O ATOM 524 CG2 THR A 32 13.933 19.098 0.353 1.00 0.00 C ATOM 0 H THR A 32 10.748 16.703 -0.080 1.00 0.00 H new ATOM 0 HA THR A 32 11.129 19.468 0.489 1.00 0.00 H new ATOM 0 HB THR A 32 13.028 17.277 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.164 16.837 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.826 18.617 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.125 19.431 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.677 19.957 0.973 1.00 0.00 H new ATOM 532 N ALA A 33 11.655 18.506 -2.642 1.00 0.00 N ATOM 533 CA ALA A 33 11.817 18.963 -4.027 1.00 0.00 C ATOM 534 C ALA A 33 10.498 19.381 -4.721 1.00 0.00 C ATOM 535 O ALA A 33 10.532 20.098 -5.727 1.00 0.00 O ATOM 536 CB ALA A 33 12.521 17.839 -4.801 1.00 0.00 C ATOM 0 H ALA A 33 11.536 17.496 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 33 12.412 19.876 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.659 18.143 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.492 17.639 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.912 16.936 -4.766 1.00 0.00 H new ATOM 542 N GLN A 34 9.346 18.914 -4.221 1.00 0.00 N ATOM 543 CA GLN A 34 8.015 19.077 -4.833 1.00 0.00 C ATOM 544 C GLN A 34 6.946 19.399 -3.752 1.00 0.00 C ATOM 545 O GLN A 34 6.063 18.573 -3.498 1.00 0.00 O ATOM 546 CB GLN A 34 7.671 17.800 -5.637 1.00 0.00 C ATOM 547 CG GLN A 34 8.748 17.309 -6.620 1.00 0.00 C ATOM 548 CD GLN A 34 8.479 15.879 -7.060 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.074 15.601 -8.180 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.712 14.918 -6.196 1.00 0.00 N ATOM 0 H GLN A 34 9.311 18.392 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 34 8.023 19.923 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.459 16.997 -4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.754 17.983 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.773 17.962 -7.492 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.729 17.369 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.050 15.144 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.555 13.945 -6.460 1.00 0.00 H new ATOM 559 N PRO A 35 7.018 20.562 -3.063 1.00 0.00 N ATOM 560 CA PRO A 35 6.280 20.816 -1.815 1.00 0.00 C ATOM 561 C PRO A 35 4.753 20.783 -1.885 1.00 0.00 C ATOM 562 O PRO A 35 4.104 20.599 -0.853 1.00 0.00 O ATOM 563 CB PRO A 35 6.711 22.214 -1.366 1.00 0.00 C ATOM 564 CG PRO A 35 8.111 22.359 -1.951 1.00 0.00 C ATOM 565 CD PRO A 35 7.949 21.664 -3.300 1.00 0.00 C ATOM 0 HA PRO A 35 6.525 20.000 -1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.037 22.983 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.719 22.302 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.404 23.403 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.867 21.879 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.560 22.351 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.906 21.296 -3.669 1.00 0.00 H new ATOM 573 N GLN A 36 4.190 20.998 -3.075 1.00 0.00 N ATOM 574 CA GLN A 36 2.758 21.192 -3.314 1.00 0.00 C ATOM 575 C GLN A 36 2.213 20.159 -4.333 1.00 0.00 C ATOM 576 O GLN A 36 1.094 20.298 -4.829 1.00 0.00 O ATOM 577 CB GLN A 36 2.565 22.666 -3.738 1.00 0.00 C ATOM 578 CG GLN A 36 1.136 23.243 -3.683 1.00 0.00 C ATOM 579 CD GLN A 36 0.516 23.293 -2.290 1.00 0.00 C ATOM 580 OE1 GLN A 36 -0.461 22.616 -1.994 1.00 0.00 O ATOM 581 NE2 GLN A 36 1.022 24.106 -1.389 1.00 0.00 N ATOM 0 H GLN A 36 4.740 21.044 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 36 2.171 21.011 -2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.202 23.284 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.931 22.773 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.151 24.252 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.493 22.645 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.835 24.678 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.601 24.165 -0.462 1.00 0.00 H new ATOM 590 N ASN A 37 2.993 19.128 -4.688 1.00 0.00 N ATOM 591 CA ASN A 37 2.573 18.057 -5.602 1.00 0.00 C ATOM 592 C ASN A 37 1.932 16.882 -4.832 1.00 0.00 C ATOM 593 O ASN A 37 2.568 16.332 -3.926 1.00 0.00 O ATOM 594 CB ASN A 37 3.775 17.545 -6.416 1.00 0.00 C ATOM 595 CG ASN A 37 3.967 18.235 -7.750 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.724 19.188 -7.889 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.305 17.755 -8.776 1.00 0.00 N ATOM 0 H ASN A 37 3.946 19.013 -4.343 1.00 0.00 H new ATOM 0 HA ASN A 37 1.828 18.474 -6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.680 17.671 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.653 16.476 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.419 18.176 -9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.677 16.961 -8.651 1.00 0.00 H new ATOM 604 N PRO A 38 0.756 16.374 -5.256 1.00 0.00 N ATOM 605 CA PRO A 38 0.110 15.227 -4.610 1.00 0.00 C ATOM 606 C PRO A 38 0.916 13.923 -4.698 1.00 0.00 C ATOM 607 O PRO A 38 0.693 13.018 -3.896 1.00 0.00 O ATOM 608 CB PRO A 38 -1.251 15.095 -5.291 1.00 0.00 C ATOM 609 CG PRO A 38 -1.010 15.687 -6.679 1.00 0.00 C ATOM 610 CD PRO A 38 -0.042 16.829 -6.386 1.00 0.00 C ATOM 0 HA PRO A 38 0.025 15.401 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.573 14.055 -5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.025 15.639 -4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.580 14.956 -7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.934 16.044 -7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.586 17.044 -7.250 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.578 17.747 -6.145 1.00 0.00 H new ATOM 618 N VAL A 39 1.898 13.825 -5.606 1.00 0.00 N ATOM 619 CA VAL A 39 2.868 12.715 -5.640 1.00 0.00 C ATOM 620 C VAL A 39 3.567 12.525 -4.291 1.00 0.00 C ATOM 621 O VAL A 39 3.678 11.399 -3.808 1.00 0.00 O ATOM 622 CB VAL A 39 3.882 12.916 -6.786 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.079 13.825 -6.465 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.434 11.557 -7.210 1.00 0.00 C ATOM 0 H VAL A 39 2.044 14.516 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 39 2.316 11.796 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 39 3.318 13.417 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.726 13.896 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.720 14.819 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.641 13.406 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.151 11.692 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.929 11.085 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.616 10.923 -7.552 1.00 0.00 H new ATOM 634 N GLY A 40 3.977 13.607 -3.624 1.00 0.00 N ATOM 635 CA GLY A 40 4.669 13.515 -2.342 1.00 0.00 C ATOM 636 C GLY A 40 3.738 13.011 -1.232 1.00 0.00 C ATOM 637 O GLY A 40 4.125 12.151 -0.444 1.00 0.00 O ATOM 0 H GLY A 40 3.839 14.562 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.522 12.842 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.064 14.494 -2.070 1.00 0.00 H new ATOM 641 N TYR A 41 2.472 13.437 -1.248 1.00 0.00 N ATOM 642 CA TYR A 41 1.445 12.962 -0.315 1.00 0.00 C ATOM 643 C TYR A 41 1.041 11.499 -0.573 1.00 0.00 C ATOM 644 O TYR A 41 0.851 10.745 0.376 1.00 0.00 O ATOM 645 CB TYR A 41 0.233 13.909 -0.360 1.00 0.00 C ATOM 646 CG TYR A 41 0.531 15.391 -0.157 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.577 15.813 0.694 1.00 0.00 C ATOM 648 CD2 TYR A 41 -0.253 16.360 -0.816 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.850 17.183 0.866 1.00 0.00 C ATOM 650 CE2 TYR A 41 0.001 17.733 -0.623 1.00 0.00 C ATOM 651 CZ TYR A 41 1.052 18.148 0.221 1.00 0.00 C ATOM 652 OH TYR A 41 1.266 19.473 0.445 1.00 0.00 O ATOM 0 H TYR A 41 2.127 14.128 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 41 1.867 12.975 0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.262 13.787 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.477 13.594 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.172 15.078 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.052 16.049 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.672 17.495 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.611 18.469 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 41 2.117 19.740 0.039 1.00 0.00 H new ATOM 662 N SER A 42 1.009 11.046 -1.833 1.00 0.00 N ATOM 663 CA SER A 42 0.827 9.626 -2.188 1.00 0.00 C ATOM 664 C SER A 42 1.951 8.735 -1.639 1.00 0.00 C ATOM 665 O SER A 42 1.695 7.622 -1.171 1.00 0.00 O ATOM 666 CB SER A 42 0.743 9.485 -3.711 1.00 0.00 C ATOM 667 OG SER A 42 0.650 8.125 -4.076 1.00 0.00 O ATOM 0 H SER A 42 1.109 11.657 -2.644 1.00 0.00 H new ATOM 0 HA SER A 42 -0.102 9.289 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.125 10.028 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.623 9.932 -4.173 1.00 0.00 H new ATOM 0 HG SER A 42 1.061 7.994 -4.956 1.00 0.00 H new ATOM 673 N ASN A 43 3.190 9.241 -1.627 1.00 0.00 N ATOM 674 CA ASN A 43 4.343 8.543 -1.054 1.00 0.00 C ATOM 675 C ASN A 43 4.380 8.626 0.489 1.00 0.00 C ATOM 676 O ASN A 43 4.828 7.671 1.122 1.00 0.00 O ATOM 677 CB ASN A 43 5.633 9.038 -1.728 1.00 0.00 C ATOM 678 CG ASN A 43 5.794 8.490 -3.141 1.00 0.00 C ATOM 679 OD1 ASN A 43 6.408 7.462 -3.366 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.255 9.158 -4.132 1.00 0.00 N ATOM 0 H ASN A 43 3.421 10.154 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 43 4.248 7.478 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.628 10.127 -1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.492 8.742 -1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.350 8.817 -5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.740 10.019 -3.946 1.00 0.00 H new ATOM 687 N LYS A 44 3.832 9.681 1.116 1.00 0.00 N ATOM 688 CA LYS A 44 3.572 9.695 2.570 1.00 0.00 C ATOM 689 C LYS A 44 2.460 8.706 2.957 1.00 0.00 C ATOM 690 O LYS A 44 2.635 7.944 3.903 1.00 0.00 O ATOM 691 CB LYS A 44 3.319 11.130 3.077 1.00 0.00 C ATOM 692 CG LYS A 44 3.091 11.133 4.603 1.00 0.00 C ATOM 693 CD LYS A 44 2.990 12.534 5.225 1.00 0.00 C ATOM 694 CE LYS A 44 2.767 12.385 6.738 1.00 0.00 C ATOM 695 NZ LYS A 44 2.670 13.691 7.428 1.00 0.00 N ATOM 0 H LYS A 44 3.559 10.540 0.638 1.00 0.00 H new ATOM 0 HA LYS A 44 4.469 9.345 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.170 11.765 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.450 11.552 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.175 10.584 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.909 10.594 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.901 13.100 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.167 13.089 4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.854 11.816 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.587 11.811 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.520 13.536 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.551 14.225 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.871 14.231 7.039 1.00 0.00 H new ATOM 709 N ALA A 45 1.371 8.615 2.190 1.00 0.00 N ATOM 710 CA ALA A 45 0.325 7.604 2.394 1.00 0.00 C ATOM 711 C ALA A 45 0.862 6.163 2.246 1.00 0.00 C ATOM 712 O ALA A 45 0.484 5.283 3.018 1.00 0.00 O ATOM 713 CB ALA A 45 -0.832 7.893 1.430 1.00 0.00 C ATOM 0 H ALA A 45 1.187 9.242 1.407 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.038 7.671 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.617 7.150 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.233 8.886 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.470 7.849 0.403 1.00 0.00 H new ATOM 719 N MET A 46 1.791 5.935 1.310 1.00 0.00 N ATOM 720 CA MET A 46 2.557 4.686 1.191 1.00 0.00 C ATOM 721 C MET A 46 3.403 4.423 2.448 1.00 0.00 C ATOM 722 O MET A 46 3.315 3.339 3.027 1.00 0.00 O ATOM 723 CB MET A 46 3.415 4.760 -0.081 1.00 0.00 C ATOM 724 CG MET A 46 4.166 3.483 -0.459 1.00 0.00 C ATOM 725 SD MET A 46 5.554 2.991 0.615 1.00 0.00 S ATOM 726 CE MET A 46 6.692 4.387 0.395 1.00 0.00 C ATOM 0 H MET A 46 2.037 6.625 0.600 1.00 0.00 H new ATOM 0 HA MET A 46 1.874 3.841 1.109 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.770 5.039 -0.914 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.142 5.563 0.042 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.449 2.663 -0.483 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.548 3.602 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.660 4.140 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.815 4.592 -0.668 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.286 5.269 0.890 1.00 0.00 H new ATOM 736 N ALA A 47 4.168 5.413 2.915 1.00 0.00 N ATOM 737 CA ALA A 47 4.981 5.296 4.126 1.00 0.00 C ATOM 738 C ALA A 47 4.134 4.952 5.365 1.00 0.00 C ATOM 739 O ALA A 47 4.518 4.086 6.144 1.00 0.00 O ATOM 740 CB ALA A 47 5.768 6.600 4.312 1.00 0.00 C ATOM 0 H ALA A 47 4.240 6.323 2.460 1.00 0.00 H new ATOM 0 HA ALA A 47 5.678 4.466 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.380 6.530 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.411 6.764 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.073 7.434 4.410 1.00 0.00 H new ATOM 746 N LEU A 48 2.945 5.551 5.513 1.00 0.00 N ATOM 747 CA LEU A 48 2.025 5.280 6.623 1.00 0.00 C ATOM 748 C LEU A 48 1.542 3.817 6.648 1.00 0.00 C ATOM 749 O LEU A 48 1.572 3.194 7.710 1.00 0.00 O ATOM 750 CB LEU A 48 0.855 6.283 6.559 1.00 0.00 C ATOM 751 CG LEU A 48 1.253 7.723 6.947 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.182 8.707 6.475 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.440 7.876 8.458 1.00 0.00 C ATOM 0 H LEU A 48 2.591 6.246 4.856 1.00 0.00 H new ATOM 0 HA LEU A 48 2.560 5.418 7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.447 6.288 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.060 5.944 7.223 1.00 0.00 H new ATOM 0 HG LEU A 48 2.204 7.939 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.471 9.720 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.081 8.643 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.771 8.460 6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.720 8.904 8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.508 7.631 8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.226 7.202 8.797 1.00 0.00 H new ATOM 765 N ILE A 49 1.189 3.217 5.501 1.00 0.00 N ATOM 766 CA ILE A 49 0.831 1.779 5.441 1.00 0.00 C ATOM 767 C ILE A 49 2.047 0.847 5.585 1.00 0.00 C ATOM 768 O ILE A 49 1.898 -0.312 5.979 1.00 0.00 O ATOM 769 CB ILE A 49 -0.015 1.420 4.197 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.732 1.570 2.854 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.289 2.273 4.194 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.027 1.001 1.647 1.00 0.00 C ATOM 0 H ILE A 49 1.142 3.697 4.602 1.00 0.00 H new ATOM 0 HA ILE A 49 0.200 1.607 6.313 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.254 0.360 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.932 2.627 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.698 1.071 2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.891 2.025 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.863 2.072 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.020 3.329 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.565 1.146 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.204 -0.064 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.982 1.516 1.542 1.00 0.00 H new ATOM 784 N LYS A 50 3.257 1.353 5.321 1.00 0.00 N ATOM 785 CA LYS A 50 4.526 0.650 5.559 1.00 0.00 C ATOM 786 C LYS A 50 5.091 0.837 6.981 1.00 0.00 C ATOM 787 O LYS A 50 5.993 0.095 7.362 1.00 0.00 O ATOM 788 CB LYS A 50 5.531 1.003 4.440 1.00 0.00 C ATOM 789 CG LYS A 50 6.009 -0.234 3.658 1.00 0.00 C ATOM 790 CD LYS A 50 4.945 -0.911 2.774 1.00 0.00 C ATOM 791 CE LYS A 50 4.479 0.012 1.644 1.00 0.00 C ATOM 792 NZ LYS A 50 3.578 -0.683 0.699 1.00 0.00 N ATOM 0 H LYS A 50 3.386 2.285 4.927 1.00 0.00 H new ATOM 0 HA LYS A 50 4.327 -0.421 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.067 1.707 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.393 1.507 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.848 0.059 3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.386 -0.969 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.354 -1.828 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.090 -1.197 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.964 0.874 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.347 0.392 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.285 -0.024 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.077 -1.491 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.737 -1.024 1.208 1.00 0.00 H new ATOM 806 N LEU A 51 4.509 1.721 7.801 1.00 0.00 N ATOM 807 CA LEU A 51 4.778 1.897 9.246 1.00 0.00 C ATOM 808 C LEU A 51 3.583 1.462 10.136 1.00 0.00 C ATOM 809 O LEU A 51 3.574 1.675 11.351 1.00 0.00 O ATOM 810 CB LEU A 51 5.225 3.356 9.505 1.00 0.00 C ATOM 811 CG LEU A 51 6.479 3.509 10.393 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.874 4.986 10.466 1.00 0.00 C ATOM 813 CD2 LEU A 51 6.292 3.008 11.824 1.00 0.00 C ATOM 0 H LEU A 51 3.799 2.370 7.463 1.00 0.00 H new ATOM 0 HA LEU A 51 5.591 1.231 9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.417 3.836 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.400 3.895 9.972 1.00 0.00 H new ATOM 0 HG LEU A 51 7.250 2.896 9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.759 5.095 11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.091 5.354 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.053 5.561 10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.217 3.150 12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.489 3.567 12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.037 1.948 11.808 1.00 0.00 H new ATOM 825 N GLY A 52 2.556 0.850 9.535 1.00 0.00 N ATOM 826 CA GLY A 52 1.414 0.277 10.249 1.00 0.00 C ATOM 827 C GLY A 52 0.380 1.285 10.771 1.00 0.00 C ATOM 828 O GLY A 52 -0.403 0.933 11.650 1.00 0.00 O ATOM 0 H GLY A 52 2.496 0.738 8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.908 -0.423 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.790 -0.300 11.094 1.00 0.00 H new ATOM 832 N GLU A 53 0.362 2.519 10.263 1.00 0.00 N ATOM 833 CA GLU A 53 -0.591 3.587 10.621 1.00 0.00 C ATOM 834 C GLU A 53 -1.648 3.773 9.509 1.00 0.00 C ATOM 835 O GLU A 53 -1.877 4.866 8.978 1.00 0.00 O ATOM 836 CB GLU A 53 0.154 4.880 11.017 1.00 0.00 C ATOM 837 CG GLU A 53 1.210 4.734 12.135 1.00 0.00 C ATOM 838 CD GLU A 53 0.666 4.343 13.523 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.546 4.486 13.809 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.466 3.921 14.391 1.00 0.00 O ATOM 0 H GLU A 53 1.037 2.820 9.561 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.150 3.293 11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.645 5.280 10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.583 5.618 11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.938 3.984 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.746 5.678 12.228 1.00 0.00 H new ATOM 848 N TYR A 54 -2.296 2.665 9.132 1.00 0.00 N ATOM 849 CA TYR A 54 -3.330 2.605 8.095 1.00 0.00 C ATOM 850 C TYR A 54 -4.520 3.541 8.387 1.00 0.00 C ATOM 851 O TYR A 54 -5.095 4.091 7.445 1.00 0.00 O ATOM 852 CB TYR A 54 -3.816 1.154 7.887 1.00 0.00 C ATOM 853 CG TYR A 54 -2.767 0.060 8.022 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.533 -0.524 9.284 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.074 -0.415 6.892 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.610 -1.577 9.419 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.138 -1.460 7.027 1.00 0.00 C ATOM 858 CZ TYR A 54 -0.912 -2.051 8.289 1.00 0.00 C ATOM 859 OH TYR A 54 -0.020 -3.067 8.418 1.00 0.00 O ATOM 0 H TYR A 54 -2.108 1.756 9.555 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.869 2.958 7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.611 0.954 8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.258 1.082 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.065 -0.161 10.151 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.260 0.022 5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.436 -2.022 10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.592 -1.809 6.163 1.00 0.00 H new ATOM 0 HH TYR A 54 0.371 -3.272 7.543 1.00 0.00 H new ATOM 869 N THR A 55 -4.838 3.807 9.663 1.00 0.00 N ATOM 870 CA THR A 55 -5.881 4.779 10.064 1.00 0.00 C ATOM 871 C THR A 55 -5.547 6.214 9.627 1.00 0.00 C ATOM 872 O THR A 55 -6.463 6.989 9.341 1.00 0.00 O ATOM 873 CB THR A 55 -6.141 4.754 11.584 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.274 3.441 12.097 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.423 5.477 11.986 1.00 0.00 C ATOM 0 H THR A 55 -4.380 3.354 10.454 1.00 0.00 H new ATOM 0 HA THR A 55 -6.787 4.465 9.546 1.00 0.00 H new ATOM 0 HB THR A 55 -5.265 5.254 11.996 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.435 3.482 13.063 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.547 5.423 13.068 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.363 6.521 11.680 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.276 5.004 11.499 1.00 0.00 H new ATOM 883 N GLN A 56 -4.263 6.572 9.486 1.00 0.00 N ATOM 884 CA GLN A 56 -3.881 7.838 8.843 1.00 0.00 C ATOM 885 C GLN A 56 -4.003 7.747 7.320 1.00 0.00 C ATOM 886 O GLN A 56 -4.489 8.672 6.675 1.00 0.00 O ATOM 887 CB GLN A 56 -2.444 8.258 9.200 1.00 0.00 C ATOM 888 CG GLN A 56 -2.089 8.283 10.687 1.00 0.00 C ATOM 889 CD GLN A 56 -3.212 8.767 11.588 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.743 9.867 11.465 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.648 7.914 12.485 1.00 0.00 N ATOM 0 H GLN A 56 -3.476 6.008 9.806 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.572 8.591 9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.755 7.579 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.268 9.253 8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.797 7.279 10.996 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.220 8.926 10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.201 7.002 12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.433 8.163 13.086 1.00 0.00 H new ATOM 900 N ALA A 57 -3.598 6.621 6.725 1.00 0.00 N ATOM 901 CA ALA A 57 -3.575 6.465 5.272 1.00 0.00 C ATOM 902 C ALA A 57 -4.975 6.564 4.633 1.00 0.00 C ATOM 903 O ALA A 57 -5.119 7.205 3.591 1.00 0.00 O ATOM 904 CB ALA A 57 -2.882 5.148 4.929 1.00 0.00 C ATOM 0 H ALA A 57 -3.279 5.798 7.236 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.011 7.295 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.859 5.020 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.863 5.162 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.429 4.320 5.380 1.00 0.00 H new ATOM 910 N ILE A 58 -6.015 6.005 5.266 1.00 0.00 N ATOM 911 CA ILE A 58 -7.406 6.108 4.779 1.00 0.00 C ATOM 912 C ILE A 58 -7.938 7.553 4.773 1.00 0.00 C ATOM 913 O ILE A 58 -8.718 7.915 3.890 1.00 0.00 O ATOM 914 CB ILE A 58 -8.351 5.156 5.552 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.412 5.478 7.064 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.945 3.693 5.296 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.377 4.596 7.866 1.00 0.00 C ATOM 0 H ILE A 58 -5.921 5.469 6.129 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.388 5.788 3.737 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.362 5.310 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.412 5.375 7.485 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.705 6.521 7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.614 3.029 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.012 3.478 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.921 3.535 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.355 4.892 8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.388 4.715 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.075 3.552 7.777 1.00 0.00 H new ATOM 929 N GLN A 59 -7.473 8.405 5.691 1.00 0.00 N ATOM 930 CA GLN A 59 -7.752 9.846 5.685 1.00 0.00 C ATOM 931 C GLN A 59 -6.877 10.588 4.660 1.00 0.00 C ATOM 932 O GLN A 59 -7.393 11.371 3.861 1.00 0.00 O ATOM 933 CB GLN A 59 -7.648 10.381 7.122 1.00 0.00 C ATOM 934 CG GLN A 59 -7.540 11.912 7.250 1.00 0.00 C ATOM 935 CD GLN A 59 -6.104 12.437 7.162 1.00 0.00 C ATOM 936 OE1 GLN A 59 -5.145 11.793 7.557 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.895 13.651 6.707 1.00 0.00 N ATOM 0 H GLN A 59 -6.884 8.111 6.470 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.772 10.033 5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.523 10.047 7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.776 9.931 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.136 12.376 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.972 12.220 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.678 14.211 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.950 14.034 6.690 1.00 0.00 H new ATOM 946 N MET A 60 -5.575 10.304 4.605 1.00 0.00 N ATOM 947 CA MET A 60 -4.646 10.983 3.694 1.00 0.00 C ATOM 948 C MET A 60 -4.944 10.704 2.210 1.00 0.00 C ATOM 949 O MET A 60 -4.728 11.572 1.366 1.00 0.00 O ATOM 950 CB MET A 60 -3.203 10.626 4.074 1.00 0.00 C ATOM 951 CG MET A 60 -2.199 11.494 3.301 1.00 0.00 C ATOM 952 SD MET A 60 -0.524 11.518 3.988 1.00 0.00 S ATOM 953 CE MET A 60 -0.833 12.537 5.462 1.00 0.00 C ATOM 0 H MET A 60 -5.132 9.596 5.191 1.00 0.00 H new ATOM 0 HA MET A 60 -4.786 12.058 3.811 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.060 10.766 5.146 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.017 9.573 3.862 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.149 11.137 2.272 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.576 12.516 3.266 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.001 13.226 5.609 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.754 13.104 5.326 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.930 11.893 6.336 1.00 0.00 H new ATOM 963 N CYS A 61 -5.516 9.543 1.873 1.00 0.00 N ATOM 964 CA CYS A 61 -5.982 9.281 0.509 1.00 0.00 C ATOM 965 C CYS A 61 -7.163 10.182 0.113 1.00 0.00 C ATOM 966 O CYS A 61 -7.162 10.708 -0.996 1.00 0.00 O ATOM 967 CB CYS A 61 -6.329 7.800 0.336 1.00 0.00 C ATOM 968 SG CYS A 61 -4.838 6.785 0.516 1.00 0.00 S ATOM 0 H CYS A 61 -5.667 8.773 2.524 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.164 9.526 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.072 7.504 1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.774 7.635 -0.645 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.538 6.674 1.776 1.00 0.00 H new ATOM 974 N GLN A 62 -8.118 10.438 1.018 1.00 0.00 N ATOM 975 CA GLN A 62 -9.193 11.416 0.784 1.00 0.00 C ATOM 976 C GLN A 62 -8.607 12.823 0.610 1.00 0.00 C ATOM 977 O GLN A 62 -8.917 13.497 -0.369 1.00 0.00 O ATOM 978 CB GLN A 62 -10.213 11.394 1.937 1.00 0.00 C ATOM 979 CG GLN A 62 -10.982 10.069 2.060 1.00 0.00 C ATOM 980 CD GLN A 62 -11.716 9.981 3.395 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.664 10.703 3.676 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.296 9.114 4.288 1.00 0.00 N ATOM 0 H GLN A 62 -8.169 9.978 1.927 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.713 11.140 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.692 11.589 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.927 12.205 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.697 9.983 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.289 9.233 1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.508 8.503 4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.758 9.052 5.195 1.00 0.00 H new ATOM 991 N GLN A 63 -7.671 13.223 1.479 1.00 0.00 N ATOM 992 CA GLN A 63 -6.946 14.490 1.345 1.00 0.00 C ATOM 993 C GLN A 63 -6.235 14.621 -0.014 1.00 0.00 C ATOM 994 O GLN A 63 -6.199 15.718 -0.563 1.00 0.00 O ATOM 995 CB GLN A 63 -5.978 14.638 2.533 1.00 0.00 C ATOM 996 CG GLN A 63 -5.138 15.931 2.532 1.00 0.00 C ATOM 997 CD GLN A 63 -3.715 15.721 2.009 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.770 15.565 2.769 1.00 0.00 O ATOM 999 NE2 GLN A 63 -3.490 15.685 0.714 1.00 0.00 N ATOM 0 H GLN A 63 -7.396 12.676 2.295 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.662 15.311 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.553 14.597 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.302 13.783 2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.637 16.681 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.091 16.328 3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.261 15.812 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.544 15.530 0.365 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.672 13.551 -0.585 1.00 0.00 N ATOM 1009 CA GLY A 64 -5.015 13.597 -1.901 1.00 0.00 C ATOM 1010 C GLY A 64 -5.965 13.528 -3.105 1.00 0.00 C ATOM 1011 O GLY A 64 -5.634 14.056 -4.163 1.00 0.00 O ATOM 0 H GLY A 64 -5.657 12.628 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.434 14.517 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.309 12.769 -1.967 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.175 12.973 -2.961 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.212 13.031 -4.008 1.00 0.00 C ATOM 1017 C LEU A 65 -8.710 14.467 -4.263 1.00 0.00 C ATOM 1018 O LEU A 65 -9.177 14.764 -5.361 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.352 12.055 -3.663 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.938 10.579 -3.828 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -9.977 9.657 -3.192 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.764 10.181 -5.298 1.00 0.00 C ATOM 0 H LEU A 65 -7.465 12.473 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.769 12.713 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.673 12.226 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.209 12.262 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.976 10.471 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.668 8.619 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.063 9.884 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.943 9.809 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.472 9.133 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.705 10.327 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.991 10.800 -5.753 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.486 15.393 -3.321 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.699 16.850 -3.481 1.00 0.00 C ATOM 1036 C ARG A 66 -7.670 17.560 -4.387 1.00 0.00 C ATOM 1037 O ARG A 66 -7.702 18.785 -4.504 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.777 17.528 -2.102 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.788 16.874 -1.144 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.703 17.527 0.235 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.345 16.701 1.274 1.00 0.00 N ATOM 1042 CZ ARG A 66 -10.073 16.720 2.565 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -9.244 17.590 3.076 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -10.635 15.852 3.355 1.00 0.00 N ATOM 0 H ARG A 66 -8.140 15.147 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.650 16.954 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.789 17.508 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.045 18.576 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.797 16.977 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.585 15.806 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.657 17.690 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.180 18.506 0.203 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.069 16.052 0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.790 18.276 2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.051 17.583 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.282 15.161 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.428 15.862 4.354 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.759 16.818 -5.021 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.694 17.311 -5.913 1.00 0.00 C ATOM 1060 C TYR A 67 -5.816 16.684 -7.324 1.00 0.00 C ATOM 1061 O TYR A 67 -4.837 16.186 -7.882 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.317 17.036 -5.270 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.975 17.775 -3.982 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.593 17.426 -2.765 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.982 18.775 -3.992 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -4.265 18.117 -1.579 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.637 19.452 -2.807 1.00 0.00 C ATOM 1068 CZ TYR A 67 -3.286 19.129 -1.598 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.931 19.767 -0.453 1.00 0.00 O ATOM 0 H TYR A 67 -6.739 15.803 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.800 18.388 -6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.248 15.967 -5.071 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.550 17.274 -6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.320 16.627 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.482 19.024 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.766 17.869 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.876 20.218 -2.824 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.070 19.421 -0.139 1.00 0.00 H new ATOM 1079 N THR A 68 -7.033 16.615 -7.883 1.00 0.00 N ATOM 1080 CA THR A 68 -7.357 15.769 -9.056 1.00 0.00 C ATOM 1081 C THR A 68 -8.137 16.454 -10.187 1.00 0.00 C ATOM 1082 O THR A 68 -8.381 15.818 -11.211 1.00 0.00 O ATOM 1083 CB THR A 68 -8.116 14.498 -8.634 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.346 14.809 -8.012 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.306 13.604 -7.697 1.00 0.00 C ATOM 0 H THR A 68 -7.831 17.147 -7.536 1.00 0.00 H new ATOM 0 HA THR A 68 -6.377 15.529 -9.468 1.00 0.00 H new ATOM 0 HB THR A 68 -8.297 13.951 -9.559 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.179 15.137 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.894 12.724 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.388 13.292 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.057 14.157 -6.791 1.00 0.00 H new ATOM 1093 N SER A 69 -8.521 17.729 -10.058 1.00 0.00 N ATOM 1094 CA SER A 69 -9.532 18.370 -10.924 1.00 0.00 C ATOM 1095 C SER A 69 -9.211 18.516 -12.428 1.00 0.00 C ATOM 1096 O SER A 69 -10.133 18.762 -13.212 1.00 0.00 O ATOM 1097 CB SER A 69 -9.924 19.739 -10.343 1.00 0.00 C ATOM 1098 OG SER A 69 -8.810 20.616 -10.260 1.00 0.00 O ATOM 0 H SER A 69 -8.140 18.354 -9.347 1.00 0.00 H new ATOM 0 HA SER A 69 -10.357 17.657 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.696 20.190 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.354 19.603 -9.351 1.00 0.00 H new ATOM 0 HG SER A 69 -9.098 21.476 -9.888 1.00 0.00 H new ATOM 1104 N THR A 70 -7.954 18.372 -12.875 1.00 0.00 N ATOM 1105 CA THR A 70 -7.536 18.628 -14.276 1.00 0.00 C ATOM 1106 C THR A 70 -6.931 17.402 -14.973 1.00 0.00 C ATOM 1107 O THR A 70 -6.528 16.430 -14.325 1.00 0.00 O ATOM 1108 CB THR A 70 -6.561 19.820 -14.396 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.248 19.438 -14.057 1.00 0.00 O ATOM 1110 CG2 THR A 70 -6.931 21.022 -13.527 1.00 0.00 C ATOM 0 H THR A 70 -7.186 18.072 -12.274 1.00 0.00 H new ATOM 0 HA THR A 70 -8.464 18.877 -14.790 1.00 0.00 H new ATOM 0 HB THR A 70 -6.630 20.122 -15.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.650 20.210 -14.143 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.196 21.814 -13.670 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.918 21.387 -13.812 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.943 20.723 -12.479 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.799 17.464 -16.303 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.135 16.451 -17.134 1.00 0.00 C ATOM 1120 C ALA A 71 -4.615 16.295 -16.870 1.00 0.00 C ATOM 1121 O ALA A 71 -3.953 15.461 -17.491 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.421 16.783 -18.604 1.00 0.00 C ATOM 0 H ALA A 71 -7.163 18.245 -16.849 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.548 15.478 -16.866 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.938 16.045 -19.244 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.497 16.766 -18.778 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.031 17.774 -18.836 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.039 17.077 -15.953 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.673 16.901 -15.434 1.00 0.00 C ATOM 1130 C GLU A 72 -2.607 15.859 -14.296 1.00 0.00 C ATOM 1131 O GLU A 72 -1.529 15.338 -13.987 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.195 18.278 -14.942 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.683 18.422 -14.743 1.00 0.00 C ATOM 1134 CD GLU A 72 0.057 18.439 -16.083 1.00 0.00 C ATOM 1135 OE1 GLU A 72 0.266 19.539 -16.645 1.00 0.00 O ATOM 1136 OE2 GLU A 72 0.461 17.367 -16.579 1.00 0.00 O ATOM 0 H GLU A 72 -4.521 17.874 -15.537 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.027 16.519 -16.225 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.523 19.033 -15.657 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.690 18.498 -13.996 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.472 19.342 -14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.315 17.598 -14.132 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.755 15.533 -13.686 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.869 14.796 -12.419 1.00 0.00 C ATOM 1146 C HIS A 73 -4.848 13.596 -12.468 1.00 0.00 C ATOM 1147 O HIS A 73 -5.218 13.050 -11.428 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.236 15.788 -11.305 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.376 17.030 -11.243 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -2.019 17.090 -11.016 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.809 18.317 -11.408 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.649 18.382 -11.037 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.709 19.178 -11.270 1.00 0.00 N ATOM 0 H HIS A 73 -4.664 15.784 -14.076 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.900 14.341 -12.214 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.275 16.090 -11.437 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.173 15.273 -10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.826 18.620 -11.610 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.639 18.733 -10.887 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.712 20.196 -11.333 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.255 13.138 -13.657 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.102 11.935 -13.818 1.00 0.00 C ATOM 1164 C VAL A 74 -5.398 10.654 -13.330 1.00 0.00 C ATOM 1165 O VAL A 74 -6.036 9.760 -12.772 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.604 11.826 -15.274 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.491 11.555 -16.295 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.692 10.758 -15.419 1.00 0.00 C ATOM 0 H VAL A 74 -5.010 13.586 -14.540 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.976 12.046 -13.176 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.020 12.808 -15.498 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.922 11.492 -17.294 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.764 12.366 -16.264 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.996 10.614 -16.053 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.020 10.711 -16.457 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.293 9.789 -15.120 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.539 11.013 -14.782 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.065 10.597 -13.426 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.252 9.530 -12.843 1.00 0.00 C ATOM 1180 C ALA A 75 -3.251 9.578 -11.305 1.00 0.00 C ATOM 1181 O ALA A 75 -3.364 8.538 -10.657 1.00 0.00 O ATOM 1182 CB ALA A 75 -1.829 9.647 -13.397 1.00 0.00 C ATOM 0 H ALA A 75 -3.515 11.302 -13.918 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.682 8.567 -13.118 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.207 8.858 -12.973 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.852 9.547 -14.482 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.414 10.619 -13.131 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.210 10.780 -10.715 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.313 11.003 -9.260 1.00 0.00 C ATOM 1190 C ILE A 76 -4.665 10.504 -8.729 1.00 0.00 C ATOM 1191 O ILE A 76 -4.727 9.897 -7.658 1.00 0.00 O ATOM 1192 CB ILE A 76 -3.090 12.500 -8.930 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.735 13.038 -9.445 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.252 12.804 -7.434 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.483 12.331 -8.900 1.00 0.00 C ATOM 0 H ILE A 76 -3.102 11.645 -11.244 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.533 10.429 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.877 13.028 -9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.726 12.965 -10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.668 14.097 -9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.085 13.867 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.260 12.537 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.526 12.224 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.409 12.789 -9.327 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.455 12.426 -7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.514 11.276 -9.171 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.739 10.698 -9.506 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.104 10.270 -9.166 1.00 0.00 C ATOM 1209 C ARG A 77 -7.225 8.748 -9.016 1.00 0.00 C ATOM 1210 O ARG A 77 -7.764 8.290 -8.009 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.061 10.861 -10.218 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.512 10.927 -9.730 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.413 11.640 -10.746 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.618 10.825 -11.954 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.269 11.179 -13.043 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.820 12.349 -13.183 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -11.384 10.349 -14.035 1.00 0.00 N ATOM 0 H ARG A 77 -5.682 11.168 -10.410 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.379 10.652 -8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.726 11.863 -10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.014 10.258 -11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.885 9.918 -9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.553 11.451 -8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.377 11.860 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.966 12.595 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.214 9.888 -11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.757 13.035 -12.431 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.315 12.580 -14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.969 9.419 -13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.889 10.627 -14.877 1.00 0.00 H new ATOM 1231 N SER A 78 -6.633 7.978 -9.935 1.00 0.00 N ATOM 1232 CA SER A 78 -6.428 6.524 -9.786 1.00 0.00 C ATOM 1233 C SER A 78 -5.495 6.196 -8.618 1.00 0.00 C ATOM 1234 O SER A 78 -5.832 5.378 -7.757 1.00 0.00 O ATOM 1235 CB SER A 78 -5.864 5.951 -11.095 1.00 0.00 C ATOM 1236 OG SER A 78 -5.462 4.601 -10.944 1.00 0.00 O ATOM 0 H SER A 78 -6.276 8.347 -10.816 1.00 0.00 H new ATOM 0 HA SER A 78 -7.393 6.066 -9.567 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.619 6.021 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.013 6.550 -11.418 1.00 0.00 H new ATOM 0 HG SER A 78 -5.110 4.267 -11.795 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.346 6.876 -8.544 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.274 6.572 -7.594 1.00 0.00 C ATOM 1244 C LYS A 79 -3.736 6.631 -6.132 1.00 0.00 C ATOM 1245 O LYS A 79 -3.466 5.690 -5.389 1.00 0.00 O ATOM 1246 CB LYS A 79 -2.059 7.452 -7.922 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.862 7.150 -7.016 1.00 0.00 C ATOM 1248 CD LYS A 79 0.496 7.336 -7.701 1.00 0.00 C ATOM 1249 CE LYS A 79 0.787 8.729 -8.270 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.213 8.845 -8.669 1.00 0.00 N ATOM 0 H LYS A 79 -4.133 7.666 -9.153 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.967 5.532 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.772 7.299 -8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.335 8.501 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.908 7.798 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.940 6.124 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.278 7.090 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.571 6.613 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.147 8.916 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.550 9.489 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.390 9.796 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.820 8.687 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.429 8.133 -9.396 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.505 7.646 -5.718 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.040 7.685 -4.345 1.00 0.00 C ATOM 1266 C LEU A 80 -6.246 6.746 -4.119 1.00 0.00 C ATOM 1267 O LEU A 80 -6.444 6.302 -2.991 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.324 9.128 -3.871 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.118 9.984 -3.420 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.148 9.259 -2.480 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.309 10.524 -4.597 1.00 0.00 C ATOM 0 H LEU A 80 -4.769 8.440 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.245 7.289 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.826 9.655 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.028 9.076 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.584 10.803 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.332 9.930 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.677 8.952 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.745 8.379 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.475 11.118 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.926 9.692 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.948 11.149 -5.221 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.016 6.376 -5.150 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.128 5.416 -5.006 1.00 0.00 C ATOM 1285 C GLN A 81 -7.665 3.960 -4.882 1.00 0.00 C ATOM 1286 O GLN A 81 -8.260 3.199 -4.113 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.150 5.600 -6.142 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.232 6.582 -5.671 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.080 7.167 -6.788 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.227 6.794 -6.990 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.572 8.138 -7.506 1.00 0.00 N ATOM 0 H GLN A 81 -6.892 6.727 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.619 5.642 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.657 5.980 -7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.598 4.642 -6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.886 6.071 -4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.754 7.398 -5.129 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.615 8.450 -7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.133 8.582 -8.233 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.577 3.564 -5.551 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.963 2.262 -5.276 1.00 0.00 C ATOM 1302 C TYR A 82 -5.150 2.282 -3.967 1.00 0.00 C ATOM 1303 O TYR A 82 -5.220 1.312 -3.216 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.199 1.718 -6.492 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.701 1.651 -6.314 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.101 0.492 -5.783 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.923 2.777 -6.618 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.710 0.447 -5.575 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.534 2.750 -6.387 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.925 1.574 -5.906 1.00 0.00 C ATOM 1311 OH TYR A 82 0.425 1.524 -5.812 1.00 0.00 O ATOM 0 H TYR A 82 -6.111 4.114 -6.273 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.762 1.541 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.570 0.719 -6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.422 2.345 -7.355 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.710 -0.364 -5.535 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.387 3.662 -7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.248 -0.439 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.937 3.629 -6.578 1.00 0.00 H new ATOM 0 HH TYR A 82 0.804 2.387 -6.079 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.474 3.391 -3.610 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.819 3.546 -2.292 1.00 0.00 C ATOM 1323 C ARG A 83 -4.822 3.384 -1.137 1.00 0.00 C ATOM 1324 O ARG A 83 -4.513 2.700 -0.167 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.088 4.903 -2.234 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.191 5.111 -0.997 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.850 4.370 -1.064 1.00 0.00 C ATOM 1328 NE ARG A 83 0.098 5.012 -2.000 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.871 4.407 -2.883 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.864 3.126 -3.102 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.724 5.080 -3.589 1.00 0.00 N ATOM 0 H ARG A 83 -4.366 4.201 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.083 2.752 -2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.475 5.006 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.831 5.700 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.999 6.177 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.732 4.782 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.407 4.334 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.022 3.339 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 83 0.161 6.029 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.233 2.522 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.489 2.725 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.804 6.089 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.315 4.600 -4.268 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.036 3.930 -1.265 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.116 3.770 -0.280 1.00 0.00 C ATOM 1347 C LEU A 84 -7.614 2.321 -0.170 1.00 0.00 C ATOM 1348 O LEU A 84 -7.839 1.817 0.933 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.267 4.719 -0.662 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.469 4.736 0.307 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.076 4.947 1.767 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.400 5.891 -0.054 1.00 0.00 C ATOM 0 H LEU A 84 -6.302 4.503 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.724 4.024 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.869 5.731 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.627 4.444 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.940 3.759 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.972 4.947 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.414 4.142 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.562 5.902 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.248 5.902 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.858 6.833 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.759 5.763 -1.075 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.765 1.633 -1.301 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.162 0.234 -1.351 1.00 0.00 C ATOM 1366 C GLU A 85 -7.068 -0.672 -0.757 1.00 0.00 C ATOM 1367 O GLU A 85 -7.386 -1.589 -0.003 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.500 -0.089 -2.816 1.00 0.00 C ATOM 1369 CG GLU A 85 -8.885 -1.554 -2.993 1.00 0.00 C ATOM 1370 CD GLU A 85 -9.217 -1.917 -4.445 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -10.016 -1.199 -5.101 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -8.669 -2.929 -4.952 1.00 0.00 O ATOM 0 H GLU A 85 -7.611 2.043 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.043 0.046 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.321 0.546 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.642 0.141 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.066 -2.183 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.747 -1.776 -2.363 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.784 -0.397 -1.018 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.654 -1.199 -0.532 1.00 0.00 C ATOM 1382 C LEU A 86 -4.214 -0.858 0.895 1.00 0.00 C ATOM 1383 O LEU A 86 -3.628 -1.724 1.542 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.469 -1.116 -1.514 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.472 -2.155 -2.650 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.199 -3.581 -2.168 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.770 -2.177 -3.456 1.00 0.00 C ATOM 0 H LEU A 86 -5.496 0.402 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.012 -2.227 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.456 -0.120 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.544 -1.225 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.655 -1.823 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.215 -4.262 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.221 -3.622 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.966 -3.876 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.700 -2.933 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.604 -2.415 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.933 -1.199 -3.909 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.547 0.320 1.432 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.458 0.585 2.872 1.00 0.00 C ATOM 1401 C ALA A 87 -5.445 -0.305 3.640 1.00 0.00 C ATOM 1402 O ALA A 87 -5.050 -1.056 4.533 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.727 2.074 3.141 1.00 0.00 C ATOM 0 H ALA A 87 -4.884 1.112 0.885 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.454 0.347 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.660 2.268 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.987 2.678 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.725 2.333 2.787 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.711 -0.303 3.207 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.746 -1.223 3.696 1.00 0.00 C ATOM 1411 C GLN A 88 -7.396 -2.694 3.400 1.00 0.00 C ATOM 1412 O GLN A 88 -7.761 -3.579 4.172 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.089 -0.836 3.064 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.602 0.511 3.590 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.853 0.939 2.842 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.975 0.727 3.284 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.702 1.525 1.680 1.00 0.00 N ATOM 0 H GLN A 88 -7.051 0.346 2.497 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.811 -1.135 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.979 -0.785 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.826 -1.612 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.818 0.432 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.828 1.270 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.766 1.700 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.521 1.806 1.140 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.631 -2.935 2.330 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.087 -4.221 1.895 1.00 0.00 C ATOM 1428 C GLY A 89 -5.057 -4.785 2.875 1.00 0.00 C ATOM 1429 O GLY A 89 -5.221 -5.892 3.382 1.00 0.00 O ATOM 0 H GLY A 89 -6.357 -2.180 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.902 -4.936 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.624 -4.103 0.915 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.020 -3.997 3.166 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.902 -4.338 4.043 1.00 0.00 C ATOM 1435 C ALA A 90 -3.338 -4.528 5.512 1.00 0.00 C ATOM 1436 O ALA A 90 -2.801 -5.397 6.206 1.00 0.00 O ATOM 1437 CB ALA A 90 -1.866 -3.219 3.886 1.00 0.00 C ATOM 0 H ALA A 90 -3.935 -3.058 2.777 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.476 -5.300 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.007 -3.427 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.542 -3.166 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.311 -2.267 4.176 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.344 -3.767 5.974 1.00 0.00 N ATOM 1444 CA VAL A 91 -4.910 -3.938 7.328 1.00 0.00 C ATOM 1445 C VAL A 91 -5.957 -5.062 7.389 1.00 0.00 C ATOM 1446 O VAL A 91 -5.941 -5.866 8.321 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.416 -2.600 7.910 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -6.745 -2.122 7.323 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.556 -2.667 9.433 1.00 0.00 C ATOM 0 H VAL A 91 -4.785 -3.025 5.430 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.097 -4.264 7.977 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.651 -1.877 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.028 -1.177 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.638 -1.982 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.517 -2.866 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.914 -1.708 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.267 -3.449 9.699 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.587 -2.891 9.878 1.00 0.00 H new