USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 hydrogens (66 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 124 SER OG : rot 124:sc= 0.51! USER MOD Set 1.2: A 129 OLA O2 : rot -170:sc= 1.15 USER MOD Set 2.1: A 102 THR OG1 : rot -59:sc= 1.2 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.975 K(o=2.2,f=-2.5!) USER MOD Set 3.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 94 THR OG1 : rot -106:sc= 1 USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 1.86 (180deg=0.555) USER MOD Set 5.1: A 81 THR OG1 : rot -56:sc= 1.2 USER MOD Set 5.2: A 93 THR OG1 : rot 50:sc= 2.21 USER MOD Set 6.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 56 SER OG : rot 171:sc= 0.773 USER MOD Set 7.2: A 128 OLA O2 : rot 30:sc= 1.06 USER MOD Set 8.1: A 10 GLN : amide:sc= 0.978 K(o=2.1,f=-4) USER MOD Set 8.2: A 36 LYS NZ :NH3+ 179:sc= 1.15 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.709 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 7 TYR OH : rot -130:sc= -0.0211 USER MOD Single : A 8 GLN : amide:sc= 0.863 K(o=0.86,f=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.42 K(o=1.4,f=-4.8!) USER MOD Single : A 14 ASN : amide:sc= 0.46 X(o=0.46,f=0) USER MOD Single : A 19 MET CE :methyl 142:sc= -0.033 (180deg=-0.981) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 2.07 (180deg=1.33) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 2.34 (180deg=2.09) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.24 (180deg=-0.405!) USER MOD Single : A 39 SER OG : rot -158:sc= 0.938 USER MOD Single : A 43 GLN : amide:sc= 2.09 K(o=2.1,f=-3.5!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0.886) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.09 (180deg=-0.535!) USER MOD Single : A 51 THR OG1 : rot 137:sc= 0.993 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.13) USER MOD Single : A 60 GLN : amide:sc= 0.144 K(o=0.14,f=-1.3!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 69 CYS SG : rot 44:sc= 0.777 USER MOD Single : A 73 THR OG1 : rot -119:sc= 1.02 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -143:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 1.17 (180deg=1.13) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= 1.21 (180deg=-0.0815!) USER MOD Single : A 84 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.0032) USER MOD Single : A 89 ASN : amide:sc= 0.469 X(o=0.47,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.954) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.315) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 110 THR OG1 : rot -2:sc= 1.22 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00329 USER MOD Single : A 114 THR OG1 : rot -60:sc= 0.836 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 6.694 -10.492 -10.877 1.00 0.00 N ATOM 2 CA SER A 2 7.535 -11.019 -9.776 1.00 0.00 C ATOM 3 C SER A 2 7.552 -10.019 -8.586 1.00 0.00 C ATOM 4 O SER A 2 8.289 -9.028 -8.580 1.00 0.00 O ATOM 5 CB SER A 2 8.939 -11.314 -10.345 1.00 0.00 C ATOM 6 OG SER A 2 9.794 -11.879 -9.350 1.00 0.00 O ATOM 0 HA SER A 2 7.128 -11.949 -9.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.855 -12.000 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.380 -10.393 -10.726 1.00 0.00 H new ATOM 0 HG SER A 2 10.676 -12.057 -9.739 1.00 0.00 H new ATOM 13 N PHE A 3 6.758 -10.317 -7.553 1.00 0.00 N ATOM 14 CA PHE A 3 6.586 -9.429 -6.362 1.00 0.00 C ATOM 15 C PHE A 3 7.573 -9.606 -5.160 1.00 0.00 C ATOM 16 O PHE A 3 7.459 -8.843 -4.200 1.00 0.00 O ATOM 17 CB PHE A 3 5.101 -9.541 -5.903 1.00 0.00 C ATOM 18 CG PHE A 3 4.091 -8.793 -6.787 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.784 -7.454 -6.525 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.447 -9.453 -7.840 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.848 -6.784 -7.309 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.495 -8.786 -8.603 1.00 0.00 C ATOM 23 CZ PHE A 3 2.195 -7.454 -8.336 1.00 0.00 C ATOM 0 H PHE A 3 6.210 -11.176 -7.503 1.00 0.00 H new ATOM 0 HA PHE A 3 6.852 -8.429 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.824 -10.595 -5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.021 -9.161 -4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.274 -6.938 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.690 -10.482 -8.060 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.630 -5.744 -7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.988 -9.303 -9.404 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.453 -6.940 -8.928 1.00 0.00 H new ATOM 33 N SER A 4 8.543 -10.539 -5.173 1.00 0.00 N ATOM 34 CA SER A 4 9.501 -10.714 -4.044 1.00 0.00 C ATOM 35 C SER A 4 10.608 -9.605 -4.017 1.00 0.00 C ATOM 36 O SER A 4 11.389 -9.472 -4.969 1.00 0.00 O ATOM 37 CB SER A 4 10.088 -12.143 -4.092 1.00 0.00 C ATOM 38 OG SER A 4 9.083 -13.114 -3.787 1.00 0.00 O ATOM 0 H SER A 4 8.691 -11.186 -5.947 1.00 0.00 H new ATOM 0 HA SER A 4 8.961 -10.593 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.501 -12.339 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.910 -12.228 -3.381 1.00 0.00 H new ATOM 0 HG SER A 4 9.474 -14.012 -3.824 1.00 0.00 H new ATOM 44 N GLY A 5 10.664 -8.810 -2.933 1.00 0.00 N ATOM 45 CA GLY A 5 11.659 -7.716 -2.787 1.00 0.00 C ATOM 46 C GLY A 5 11.352 -6.699 -1.662 1.00 0.00 C ATOM 47 O GLY A 5 10.259 -6.651 -1.090 1.00 0.00 O ATOM 0 H GLY A 5 10.031 -8.901 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.638 -8.158 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.728 -7.179 -3.733 1.00 0.00 H new ATOM 51 N LYS A 6 12.356 -5.867 -1.367 1.00 0.00 N ATOM 52 CA LYS A 6 12.266 -4.754 -0.376 1.00 0.00 C ATOM 53 C LYS A 6 12.240 -3.420 -1.187 1.00 0.00 C ATOM 54 O LYS A 6 13.268 -2.786 -1.422 1.00 0.00 O ATOM 55 CB LYS A 6 13.488 -4.840 0.575 1.00 0.00 C ATOM 56 CG LYS A 6 13.500 -6.023 1.573 1.00 0.00 C ATOM 57 CD LYS A 6 14.820 -6.081 2.374 1.00 0.00 C ATOM 58 CE LYS A 6 14.967 -7.299 3.309 1.00 0.00 C ATOM 59 NZ LYS A 6 14.090 -7.191 4.507 1.00 0.00 N ATOM 0 H LYS A 6 13.273 -5.936 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 6 11.368 -4.812 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.391 -4.896 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.544 -3.912 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.660 -5.927 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.362 -6.958 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.653 -6.080 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.905 -5.173 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.722 -8.209 2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.006 -7.389 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.219 -8.029 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.341 -6.337 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.096 -7.131 4.206 1.00 0.00 H new ATOM 73 N TYR A 7 11.054 -2.977 -1.616 1.00 0.00 N ATOM 74 CA TYR A 7 10.906 -1.850 -2.579 1.00 0.00 C ATOM 75 C TYR A 7 10.988 -0.456 -1.882 1.00 0.00 C ATOM 76 O TYR A 7 10.056 -0.067 -1.174 1.00 0.00 O ATOM 77 CB TYR A 7 9.558 -2.011 -3.363 1.00 0.00 C ATOM 78 CG TYR A 7 9.310 -3.295 -4.194 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.957 -4.493 -3.559 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.376 -3.266 -5.593 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.748 -5.652 -4.300 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.142 -4.423 -6.336 1.00 0.00 C ATOM 83 CZ TYR A 7 8.853 -5.620 -5.685 1.00 0.00 C ATOM 84 OH TYR A 7 8.730 -6.785 -6.393 1.00 0.00 O ATOM 0 H TYR A 7 10.166 -3.378 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 7 11.741 -1.890 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.747 -1.928 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.470 -1.161 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.846 -4.517 -2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.610 -2.341 -6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.504 -6.577 -3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.185 -4.391 -7.415 1.00 0.00 H new ATOM 0 HH TYR A 7 9.480 -6.868 -7.019 1.00 0.00 H new ATOM 94 N GLN A 8 12.079 0.314 -2.068 1.00 0.00 N ATOM 95 CA GLN A 8 12.206 1.662 -1.440 1.00 0.00 C ATOM 96 C GLN A 8 11.416 2.781 -2.197 1.00 0.00 C ATOM 97 O GLN A 8 11.484 2.908 -3.425 1.00 0.00 O ATOM 98 CB GLN A 8 13.695 2.029 -1.230 1.00 0.00 C ATOM 99 CG GLN A 8 13.893 3.182 -0.209 1.00 0.00 C ATOM 100 CD GLN A 8 15.329 3.639 0.035 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.305 3.196 -0.561 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.491 4.579 0.932 1.00 0.00 N ATOM 0 H GLN A 8 12.879 0.039 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 8 11.732 1.600 -0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.236 1.148 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.132 2.318 -2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.315 4.041 -0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.468 2.869 0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.684 4.952 1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.425 4.938 1.131 1.00 0.00 H new ATOM 111 N LEU A 9 10.708 3.623 -1.424 1.00 0.00 N ATOM 112 CA LEU A 9 9.866 4.725 -1.954 1.00 0.00 C ATOM 113 C LEU A 9 10.677 5.888 -2.603 1.00 0.00 C ATOM 114 O LEU A 9 11.654 6.391 -2.044 1.00 0.00 O ATOM 115 CB LEU A 9 8.940 5.191 -0.793 1.00 0.00 C ATOM 116 CG LEU A 9 7.922 6.326 -1.094 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.899 5.948 -2.180 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.181 6.713 0.193 1.00 0.00 C ATOM 0 H LEU A 9 10.700 3.563 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 9 9.268 4.357 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.381 4.324 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.574 5.518 0.031 1.00 0.00 H new ATOM 0 HG LEU A 9 8.496 7.170 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.217 6.782 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.422 5.719 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.333 5.074 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.468 7.509 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.649 5.845 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.899 7.060 0.936 1.00 0.00 H new ATOM 130 N GLN A 10 10.227 6.310 -3.791 1.00 0.00 N ATOM 131 CA GLN A 10 10.852 7.410 -4.572 1.00 0.00 C ATOM 132 C GLN A 10 9.903 8.642 -4.656 1.00 0.00 C ATOM 133 O GLN A 10 10.256 9.715 -4.161 1.00 0.00 O ATOM 134 CB GLN A 10 11.264 6.859 -5.963 1.00 0.00 C ATOM 135 CG GLN A 10 12.341 5.750 -5.950 1.00 0.00 C ATOM 136 CD GLN A 10 13.791 6.208 -5.721 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.096 7.301 -5.241 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.738 5.361 -6.043 1.00 0.00 N ATOM 0 H GLN A 10 9.413 5.901 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 10 11.752 7.768 -4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.374 6.470 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.629 7.688 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.083 5.032 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.296 5.219 -6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.497 4.453 -6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.716 5.609 -5.895 1.00 0.00 H new ATOM 147 N SER A 11 8.726 8.493 -5.291 1.00 0.00 N ATOM 148 CA SER A 11 7.712 9.579 -5.404 1.00 0.00 C ATOM 149 C SER A 11 6.365 9.176 -4.719 1.00 0.00 C ATOM 150 O SER A 11 5.894 8.039 -4.830 1.00 0.00 O ATOM 151 CB SER A 11 7.557 9.925 -6.903 1.00 0.00 C ATOM 152 OG SER A 11 6.643 11.004 -7.101 1.00 0.00 O ATOM 0 H SER A 11 8.444 7.623 -5.742 1.00 0.00 H new ATOM 0 HA SER A 11 8.041 10.471 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.529 10.190 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.207 9.047 -7.446 1.00 0.00 H new ATOM 0 HG SER A 11 6.569 11.199 -8.059 1.00 0.00 H new ATOM 158 N GLN A 12 5.750 10.128 -3.996 1.00 0.00 N ATOM 159 CA GLN A 12 4.448 9.927 -3.299 1.00 0.00 C ATOM 160 C GLN A 12 3.500 11.089 -3.738 1.00 0.00 C ATOM 161 O GLN A 12 3.757 12.256 -3.425 1.00 0.00 O ATOM 162 CB GLN A 12 4.744 9.852 -1.775 1.00 0.00 C ATOM 163 CG GLN A 12 3.589 9.289 -0.910 1.00 0.00 C ATOM 164 CD GLN A 12 3.930 8.792 0.506 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.513 7.715 0.925 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.641 9.544 1.311 1.00 0.00 N ATOM 0 H GLN A 12 6.135 11.064 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 12 3.937 9.000 -3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.628 9.232 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.990 10.852 -1.419 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.830 10.066 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.135 8.462 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.999 10.443 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.837 9.230 2.262 1.00 0.00 H new ATOM 175 N GLU A 13 2.420 10.769 -4.473 1.00 0.00 N ATOM 176 CA GLU A 13 1.537 11.784 -5.113 1.00 0.00 C ATOM 177 C GLU A 13 0.478 12.411 -4.140 1.00 0.00 C ATOM 178 O GLU A 13 0.830 13.275 -3.331 1.00 0.00 O ATOM 179 CB GLU A 13 1.013 11.071 -6.397 1.00 0.00 C ATOM 180 CG GLU A 13 0.272 11.945 -7.439 1.00 0.00 C ATOM 181 CD GLU A 13 -0.428 11.109 -8.501 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.237 10.657 -9.458 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.645 10.873 -8.359 1.00 0.00 O ATOM 0 H GLU A 13 2.128 9.807 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 13 2.056 12.701 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.862 10.601 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.341 10.270 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.462 12.570 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.984 12.616 -7.919 1.00 0.00 H new ATOM 190 N ASN A 14 -0.802 11.989 -4.174 1.00 0.00 N ATOM 191 CA ASN A 14 -1.882 12.604 -3.347 1.00 0.00 C ATOM 192 C ASN A 14 -1.943 12.099 -1.866 1.00 0.00 C ATOM 193 O ASN A 14 -2.945 11.538 -1.414 1.00 0.00 O ATOM 194 CB ASN A 14 -3.227 12.430 -4.109 1.00 0.00 C ATOM 195 CG ASN A 14 -3.452 13.346 -5.314 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.649 14.547 -5.171 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.458 12.830 -6.520 1.00 0.00 N ATOM 0 H ASN A 14 -1.123 11.222 -4.765 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.657 13.663 -3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.296 11.396 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.042 12.588 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.626 13.427 -7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.295 11.831 -6.648 1.00 0.00 H new ATOM 204 N PHE A 15 -0.876 12.351 -1.090 1.00 0.00 N ATOM 205 CA PHE A 15 -0.835 12.030 0.369 1.00 0.00 C ATOM 206 C PHE A 15 -1.662 13.063 1.216 1.00 0.00 C ATOM 207 O PHE A 15 -2.601 12.667 1.910 1.00 0.00 O ATOM 208 CB PHE A 15 0.656 11.881 0.775 1.00 0.00 C ATOM 209 CG PHE A 15 0.907 11.226 2.142 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.938 12.007 3.299 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.186 9.860 2.237 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.263 11.432 4.525 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.529 9.290 3.459 1.00 0.00 C ATOM 214 CZ PHE A 15 1.563 10.077 4.604 1.00 0.00 C ATOM 0 H PHE A 15 -0.019 12.779 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.331 11.083 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.166 11.294 0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.115 12.870 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.709 13.061 3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.135 9.241 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.282 12.041 5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.768 8.238 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.822 9.636 5.555 1.00 0.00 H new ATOM 224 N GLU A 16 -1.345 14.373 1.121 1.00 0.00 N ATOM 225 CA GLU A 16 -2.115 15.479 1.773 1.00 0.00 C ATOM 226 C GLU A 16 -3.661 15.485 1.507 1.00 0.00 C ATOM 227 O GLU A 16 -4.451 15.548 2.455 1.00 0.00 O ATOM 228 CB GLU A 16 -1.440 16.824 1.354 1.00 0.00 C ATOM 229 CG GLU A 16 -0.308 17.328 2.288 1.00 0.00 C ATOM 230 CD GLU A 16 -0.825 18.064 3.510 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.256 19.229 3.376 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.884 17.479 4.609 1.00 0.00 O ATOM 0 H GLU A 16 -0.542 14.705 0.587 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.067 15.323 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.033 16.707 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.210 17.594 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.293 16.478 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.351 17.989 1.725 1.00 0.00 H new ATOM 239 N ALA A 17 -4.084 15.395 0.231 1.00 0.00 N ATOM 240 CA ALA A 17 -5.517 15.284 -0.148 1.00 0.00 C ATOM 241 C ALA A 17 -6.250 13.984 0.336 1.00 0.00 C ATOM 242 O ALA A 17 -7.400 14.069 0.770 1.00 0.00 O ATOM 243 CB ALA A 17 -5.573 15.466 -1.678 1.00 0.00 C ATOM 0 H ALA A 17 -3.449 15.397 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.078 16.059 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.607 15.394 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.172 16.444 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.979 14.689 -2.159 1.00 0.00 H new ATOM 249 N PHE A 18 -5.600 12.802 0.287 1.00 0.00 N ATOM 250 CA PHE A 18 -6.183 11.525 0.794 1.00 0.00 C ATOM 251 C PHE A 18 -6.292 11.456 2.345 1.00 0.00 C ATOM 252 O PHE A 18 -7.390 11.218 2.851 1.00 0.00 O ATOM 253 CB PHE A 18 -5.374 10.358 0.163 1.00 0.00 C ATOM 254 CG PHE A 18 -5.920 8.933 0.372 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.575 8.219 1.524 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.690 8.306 -0.615 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.978 6.897 1.682 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.092 6.982 -0.456 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.733 6.280 0.691 1.00 0.00 C ATOM 0 H PHE A 18 -4.662 12.698 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.225 11.450 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.301 10.538 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.360 10.394 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.991 8.698 2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.973 8.851 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.705 6.351 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.682 6.500 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.042 5.252 0.812 1.00 0.00 H new ATOM 269 N MET A 19 -5.194 11.672 3.092 1.00 0.00 N ATOM 270 CA MET A 19 -5.203 11.639 4.581 1.00 0.00 C ATOM 271 C MET A 19 -6.153 12.695 5.246 1.00 0.00 C ATOM 272 O MET A 19 -6.859 12.340 6.194 1.00 0.00 O ATOM 273 CB MET A 19 -3.747 11.663 5.099 1.00 0.00 C ATOM 274 CG MET A 19 -2.909 10.385 4.866 1.00 0.00 C ATOM 275 SD MET A 19 -2.703 10.037 3.106 1.00 0.00 S ATOM 276 CE MET A 19 -2.297 8.287 3.123 1.00 0.00 C ATOM 0 H MET A 19 -4.278 11.874 2.692 1.00 0.00 H new ATOM 0 HA MET A 19 -5.655 10.700 4.899 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.231 12.499 4.627 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.770 11.865 6.170 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.930 10.501 5.332 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.394 9.538 5.351 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.773 7.795 2.275 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.216 8.164 3.054 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.655 7.839 4.050 1.00 0.00 H new ATOM 286 N LYS A 20 -6.230 13.950 4.746 1.00 0.00 N ATOM 287 CA LYS A 20 -7.295 14.909 5.171 1.00 0.00 C ATOM 288 C LYS A 20 -8.744 14.451 4.761 1.00 0.00 C ATOM 289 O LYS A 20 -9.640 14.548 5.604 1.00 0.00 O ATOM 290 CB LYS A 20 -6.965 16.354 4.705 1.00 0.00 C ATOM 291 CG LYS A 20 -5.985 17.117 5.633 1.00 0.00 C ATOM 292 CD LYS A 20 -5.810 18.609 5.257 1.00 0.00 C ATOM 293 CE LYS A 20 -4.677 18.909 4.254 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.377 19.022 4.963 1.00 0.00 N ATOM 0 H LYS A 20 -5.580 14.326 4.056 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.300 14.912 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.539 16.311 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.893 16.921 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.343 17.049 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.012 16.627 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.748 18.974 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.625 19.177 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.624 18.117 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.890 19.836 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.682 19.482 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.500 19.590 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.038 18.073 5.219 1.00 0.00 H new ATOM 308 N ALA A 21 -8.995 13.930 3.533 1.00 0.00 N ATOM 309 CA ALA A 21 -10.318 13.350 3.159 1.00 0.00 C ATOM 310 C ALA A 21 -10.801 12.128 4.018 1.00 0.00 C ATOM 311 O ALA A 21 -11.992 12.052 4.332 1.00 0.00 O ATOM 312 CB ALA A 21 -10.269 13.011 1.657 1.00 0.00 C ATOM 0 H ALA A 21 -8.303 13.898 2.784 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.074 14.104 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.223 12.584 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.077 13.919 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.472 12.290 1.472 1.00 0.00 H new ATOM 318 N ILE A 22 -9.908 11.196 4.415 1.00 0.00 N ATOM 319 CA ILE A 22 -10.263 10.059 5.333 1.00 0.00 C ATOM 320 C ILE A 22 -10.261 10.402 6.874 1.00 0.00 C ATOM 321 O ILE A 22 -10.633 9.539 7.676 1.00 0.00 O ATOM 322 CB ILE A 22 -9.452 8.751 4.998 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.921 8.840 5.258 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.733 8.243 3.560 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.194 7.491 5.367 1.00 0.00 C ATOM 0 H ILE A 22 -8.931 11.197 4.121 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.313 9.860 5.119 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.828 8.019 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.465 9.416 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.758 9.398 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.152 7.340 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.795 8.020 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.450 9.011 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.133 7.663 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.615 6.917 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.318 6.935 4.438 1.00 0.00 H new ATOM 337 N GLY A 23 -9.853 11.614 7.302 1.00 0.00 N ATOM 338 CA GLY A 23 -9.874 12.040 8.727 1.00 0.00 C ATOM 339 C GLY A 23 -8.602 11.832 9.576 1.00 0.00 C ATOM 340 O GLY A 23 -8.715 11.342 10.701 1.00 0.00 O ATOM 0 H GLY A 23 -9.497 12.332 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.120 13.102 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.691 11.512 9.219 1.00 0.00 H new ATOM 344 N LEU A 24 -7.419 12.240 9.083 1.00 0.00 N ATOM 345 CA LEU A 24 -6.138 12.133 9.842 1.00 0.00 C ATOM 346 C LEU A 24 -5.515 13.527 10.247 1.00 0.00 C ATOM 347 O LEU A 24 -5.814 14.541 9.603 1.00 0.00 O ATOM 348 CB LEU A 24 -5.143 11.221 9.057 1.00 0.00 C ATOM 349 CG LEU A 24 -5.031 9.775 9.613 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.187 8.881 9.140 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.684 9.150 9.235 1.00 0.00 C ATOM 0 H LEU A 24 -7.313 12.651 8.156 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.358 11.663 10.801 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.456 11.174 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.155 11.682 9.073 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.096 9.845 10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.066 7.880 9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.134 9.301 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.183 8.826 8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.628 8.138 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.590 9.117 8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.875 9.750 9.651 1.00 0.00 H new ATOM 363 N PRO A 25 -4.627 13.628 11.288 1.00 0.00 N ATOM 364 CA PRO A 25 -4.039 14.923 11.726 1.00 0.00 C ATOM 365 C PRO A 25 -2.887 15.474 10.847 1.00 0.00 C ATOM 366 O PRO A 25 -1.939 14.760 10.506 1.00 0.00 O ATOM 367 CB PRO A 25 -3.509 14.607 13.137 1.00 0.00 C ATOM 368 CG PRO A 25 -3.302 13.092 13.185 1.00 0.00 C ATOM 369 CD PRO A 25 -4.196 12.480 12.111 1.00 0.00 C ATOM 0 HA PRO A 25 -4.793 15.708 11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.574 15.134 13.329 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.218 14.928 13.900 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.257 12.841 13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.559 12.700 14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.654 11.746 11.515 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.050 11.965 12.552 1.00 0.00 H new ATOM 377 N GLU A 26 -2.921 16.788 10.588 1.00 0.00 N ATOM 378 CA GLU A 26 -1.879 17.498 9.800 1.00 0.00 C ATOM 379 C GLU A 26 -0.401 17.376 10.313 1.00 0.00 C ATOM 380 O GLU A 26 0.513 17.276 9.491 1.00 0.00 O ATOM 381 CB GLU A 26 -2.366 18.949 9.614 1.00 0.00 C ATOM 382 CG GLU A 26 -3.633 19.122 8.730 1.00 0.00 C ATOM 383 CD GLU A 26 -3.817 20.504 8.132 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.400 21.381 8.797 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.414 20.697 6.964 1.00 0.00 O ATOM 0 H GLU A 26 -3.669 17.399 10.915 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.781 16.994 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.569 19.374 10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.556 19.532 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.593 18.395 7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.511 18.883 9.330 1.00 0.00 H new ATOM 392 N GLU A 27 -0.182 17.337 11.642 1.00 0.00 N ATOM 393 CA GLU A 27 1.137 17.028 12.273 1.00 0.00 C ATOM 394 C GLU A 27 1.731 15.632 11.859 1.00 0.00 C ATOM 395 O GLU A 27 2.873 15.576 11.388 1.00 0.00 O ATOM 396 CB GLU A 27 0.927 17.243 13.801 1.00 0.00 C ATOM 397 CG GLU A 27 2.122 16.944 14.750 1.00 0.00 C ATOM 398 CD GLU A 27 2.217 15.521 15.294 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.205 14.991 15.795 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.320 14.938 15.258 1.00 0.00 O ATOM 0 H GLU A 27 -0.918 17.520 12.324 1.00 0.00 H new ATOM 0 HA GLU A 27 1.921 17.693 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.630 18.280 13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.088 16.621 14.114 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.046 17.168 14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.067 17.630 15.595 1.00 0.00 H new ATOM 407 N LEU A 28 0.965 14.525 11.975 1.00 0.00 N ATOM 408 CA LEU A 28 1.412 13.184 11.482 1.00 0.00 C ATOM 409 C LEU A 28 1.499 13.079 9.912 1.00 0.00 C ATOM 410 O LEU A 28 2.415 12.439 9.387 1.00 0.00 O ATOM 411 CB LEU A 28 0.552 12.040 12.095 1.00 0.00 C ATOM 412 CG LEU A 28 0.338 11.985 13.637 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.514 10.758 14.016 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.627 11.959 14.472 1.00 0.00 C ATOM 0 H LEU A 28 0.038 14.523 12.402 1.00 0.00 H new ATOM 0 HA LEU A 28 2.437 13.063 11.834 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.433 12.086 11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.003 11.095 11.794 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.171 12.919 13.877 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.655 10.733 15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.485 10.823 13.525 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.005 9.849 13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.374 11.921 15.531 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.214 11.080 14.208 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.209 12.858 14.270 1.00 0.00 H new ATOM 426 N ILE A 29 0.583 13.731 9.160 1.00 0.00 N ATOM 427 CA ILE A 29 0.624 13.821 7.662 1.00 0.00 C ATOM 428 C ILE A 29 1.921 14.556 7.165 1.00 0.00 C ATOM 429 O ILE A 29 2.632 14.025 6.308 1.00 0.00 O ATOM 430 CB ILE A 29 -0.702 14.434 7.076 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.983 13.662 7.502 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.697 14.511 5.526 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.314 14.406 7.272 1.00 0.00 C ATOM 0 H ILE A 29 -0.216 14.217 9.568 1.00 0.00 H new ATOM 0 HA ILE A 29 0.681 12.806 7.268 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.728 15.438 7.499 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.015 12.718 6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.903 13.416 8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.637 14.942 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.132 15.136 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.583 13.509 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.143 13.780 7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.313 15.337 7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.428 14.628 6.211 1.00 0.00 H new ATOM 445 N GLN A 30 2.246 15.741 7.722 1.00 0.00 N ATOM 446 CA GLN A 30 3.542 16.445 7.467 1.00 0.00 C ATOM 447 C GLN A 30 4.840 15.631 7.804 1.00 0.00 C ATOM 448 O GLN A 30 5.878 15.875 7.186 1.00 0.00 O ATOM 449 CB GLN A 30 3.495 17.835 8.173 1.00 0.00 C ATOM 450 CG GLN A 30 2.972 19.042 7.338 1.00 0.00 C ATOM 451 CD GLN A 30 1.862 18.819 6.301 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.110 18.824 5.100 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.639 18.588 6.712 1.00 0.00 N ATOM 0 H GLN A 30 1.628 16.243 8.359 1.00 0.00 H new ATOM 0 HA GLN A 30 3.630 16.571 6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.869 17.742 9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.502 18.073 8.517 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.616 19.796 8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.826 19.472 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.429 18.583 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.102 18.413 6.034 1.00 0.00 H new ATOM 462 N LYS A 31 4.782 14.666 8.741 1.00 0.00 N ATOM 463 CA LYS A 31 5.901 13.727 9.011 1.00 0.00 C ATOM 464 C LYS A 31 6.003 12.608 7.921 1.00 0.00 C ATOM 465 O LYS A 31 7.045 12.501 7.271 1.00 0.00 O ATOM 466 CB LYS A 31 5.715 13.160 10.441 1.00 0.00 C ATOM 467 CG LYS A 31 6.113 14.121 11.582 1.00 0.00 C ATOM 468 CD LYS A 31 5.688 13.542 12.940 1.00 0.00 C ATOM 469 CE LYS A 31 6.279 14.296 14.139 1.00 0.00 C ATOM 470 NZ LYS A 31 5.641 13.739 15.355 1.00 0.00 N ATOM 0 H LYS A 31 3.965 14.511 9.332 1.00 0.00 H new ATOM 0 HA LYS A 31 6.853 14.255 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.670 12.879 10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.304 12.247 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.191 14.284 11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.642 15.092 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.600 13.560 13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.993 12.497 12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.361 14.171 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.085 15.365 14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.324 13.745 16.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.816 14.318 15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.335 12.762 15.170 1.00 0.00 H new ATOM 484 N GLY A 32 4.948 11.794 7.699 1.00 0.00 N ATOM 485 CA GLY A 32 4.976 10.715 6.670 1.00 0.00 C ATOM 486 C GLY A 32 4.922 11.056 5.159 1.00 0.00 C ATOM 487 O GLY A 32 5.103 10.138 4.355 1.00 0.00 O ATOM 0 H GLY A 32 4.069 11.857 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.886 10.139 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.136 10.052 6.879 1.00 0.00 H new ATOM 491 N LYS A 33 4.686 12.317 4.754 1.00 0.00 N ATOM 492 CA LYS A 33 4.635 12.710 3.314 1.00 0.00 C ATOM 493 C LYS A 33 5.962 12.622 2.479 1.00 0.00 C ATOM 494 O LYS A 33 5.912 12.188 1.324 1.00 0.00 O ATOM 495 CB LYS A 33 3.948 14.099 3.188 1.00 0.00 C ATOM 496 CG LYS A 33 4.689 15.307 3.817 1.00 0.00 C ATOM 497 CD LYS A 33 4.046 16.675 3.530 1.00 0.00 C ATOM 498 CE LYS A 33 4.318 17.238 2.119 1.00 0.00 C ATOM 499 NZ LYS A 33 5.706 17.770 1.984 1.00 0.00 N ATOM 0 H LYS A 33 4.526 13.091 5.398 1.00 0.00 H new ATOM 0 HA LYS A 33 4.041 11.930 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.796 14.308 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.960 14.032 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.739 15.163 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.715 15.318 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.968 16.590 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.408 17.392 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.157 16.454 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.603 18.032 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.056 17.587 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.704 18.794 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.327 17.299 2.673 1.00 0.00 H new ATOM 513 N ASP A 34 7.115 13.024 3.045 1.00 0.00 N ATOM 514 CA ASP A 34 8.424 13.074 2.315 1.00 0.00 C ATOM 515 C ASP A 34 9.477 11.958 2.680 1.00 0.00 C ATOM 516 O ASP A 34 10.560 11.928 2.085 1.00 0.00 O ATOM 517 CB ASP A 34 9.035 14.492 2.532 1.00 0.00 C ATOM 518 CG ASP A 34 8.201 15.697 2.082 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.883 15.833 0.884 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.810 16.513 2.945 1.00 0.00 O ATOM 0 H ASP A 34 7.180 13.325 4.017 1.00 0.00 H new ATOM 0 HA ASP A 34 8.196 12.868 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.248 14.608 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.991 14.530 2.010 1.00 0.00 H new ATOM 525 N ILE A 35 9.193 11.028 3.617 1.00 0.00 N ATOM 526 CA ILE A 35 10.160 9.977 4.067 1.00 0.00 C ATOM 527 C ILE A 35 10.281 8.837 2.996 1.00 0.00 C ATOM 528 O ILE A 35 9.325 8.088 2.763 1.00 0.00 O ATOM 529 CB ILE A 35 9.766 9.446 5.502 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.818 10.550 6.607 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.637 8.245 5.972 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.099 10.211 7.928 1.00 0.00 C ATOM 0 H ILE A 35 8.290 10.976 4.089 1.00 0.00 H new ATOM 0 HA ILE A 35 11.154 10.415 4.158 1.00 0.00 H new ATOM 0 HB ILE A 35 8.735 9.115 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.863 10.766 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.382 11.464 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.315 7.929 6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.523 7.417 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.684 8.547 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.199 11.046 8.621 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.043 10.027 7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.546 9.319 8.367 1.00 0.00 H new ATOM 544 N LYS A 36 11.479 8.659 2.400 1.00 0.00 N ATOM 545 CA LYS A 36 11.741 7.554 1.429 1.00 0.00 C ATOM 546 C LYS A 36 11.998 6.180 2.150 1.00 0.00 C ATOM 547 O LYS A 36 13.126 5.679 2.212 1.00 0.00 O ATOM 548 CB LYS A 36 12.921 7.944 0.492 1.00 0.00 C ATOM 549 CG LYS A 36 12.644 9.048 -0.558 1.00 0.00 C ATOM 550 CD LYS A 36 13.706 9.027 -1.680 1.00 0.00 C ATOM 551 CE LYS A 36 13.447 10.073 -2.777 1.00 0.00 C ATOM 552 NZ LYS A 36 14.329 9.802 -3.946 1.00 0.00 N ATOM 0 H LYS A 36 12.285 9.261 2.568 1.00 0.00 H new ATOM 0 HA LYS A 36 10.846 7.414 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.755 8.268 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.246 7.047 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.653 8.905 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.643 10.024 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.690 9.203 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.730 8.035 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.401 10.042 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.636 11.074 -2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.140 10.501 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.325 9.870 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.139 8.846 -4.310 1.00 0.00 H new ATOM 566 N GLY A 37 10.928 5.564 2.679 1.00 0.00 N ATOM 567 CA GLY A 37 11.022 4.269 3.402 1.00 0.00 C ATOM 568 C GLY A 37 10.924 2.993 2.534 1.00 0.00 C ATOM 569 O GLY A 37 10.686 3.034 1.325 1.00 0.00 O ATOM 0 H GLY A 37 9.981 5.938 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.970 4.245 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.230 4.236 4.150 1.00 0.00 H new ATOM 573 N VAL A 38 11.112 1.839 3.184 1.00 0.00 N ATOM 574 CA VAL A 38 11.042 0.501 2.518 1.00 0.00 C ATOM 575 C VAL A 38 9.577 -0.063 2.543 1.00 0.00 C ATOM 576 O VAL A 38 8.856 0.043 3.544 1.00 0.00 O ATOM 577 CB VAL A 38 12.099 -0.468 3.163 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.064 -1.911 2.602 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.563 0.017 2.999 1.00 0.00 C ATOM 0 H VAL A 38 11.317 1.789 4.182 1.00 0.00 H new ATOM 0 HA VAL A 38 11.301 0.599 1.464 1.00 0.00 H new ATOM 0 HB VAL A 38 11.802 -0.465 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.824 -2.513 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.081 -2.347 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.263 -1.890 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.238 -0.699 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.802 0.101 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.679 0.990 3.475 1.00 0.00 H new ATOM 589 N SER A 39 9.165 -0.680 1.426 1.00 0.00 N ATOM 590 CA SER A 39 7.866 -1.386 1.294 1.00 0.00 C ATOM 591 C SER A 39 8.171 -2.829 0.800 1.00 0.00 C ATOM 592 O SER A 39 8.372 -3.096 -0.389 1.00 0.00 O ATOM 593 CB SER A 39 6.944 -0.654 0.309 1.00 0.00 C ATOM 594 OG SER A 39 6.438 0.567 0.846 1.00 0.00 O ATOM 0 H SER A 39 9.726 -0.708 0.574 1.00 0.00 H new ATOM 0 HA SER A 39 7.348 -1.413 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.491 -0.445 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.111 -1.304 0.043 1.00 0.00 H new ATOM 0 HG SER A 39 5.616 0.816 0.375 1.00 0.00 H new ATOM 600 N GLU A 40 8.226 -3.761 1.748 1.00 0.00 N ATOM 601 CA GLU A 40 8.544 -5.185 1.472 1.00 0.00 C ATOM 602 C GLU A 40 7.319 -6.021 1.011 1.00 0.00 C ATOM 603 O GLU A 40 6.191 -5.784 1.447 1.00 0.00 O ATOM 604 CB GLU A 40 9.121 -5.764 2.786 1.00 0.00 C ATOM 605 CG GLU A 40 9.786 -7.161 2.712 1.00 0.00 C ATOM 606 CD GLU A 40 10.373 -7.609 4.038 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.609 -7.850 4.997 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.613 -7.709 4.128 1.00 0.00 O ATOM 0 H GLU A 40 8.053 -3.564 2.734 1.00 0.00 H new ATOM 0 HA GLU A 40 9.251 -5.237 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.858 -5.059 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.314 -5.812 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.048 -7.892 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.574 -7.143 1.960 1.00 0.00 H new ATOM 615 N ILE A 41 7.564 -7.020 0.150 1.00 0.00 N ATOM 616 CA ILE A 41 6.538 -8.031 -0.234 1.00 0.00 C ATOM 617 C ILE A 41 7.302 -9.391 -0.437 1.00 0.00 C ATOM 618 O ILE A 41 8.303 -9.449 -1.159 1.00 0.00 O ATOM 619 CB ILE A 41 5.695 -7.677 -1.518 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.069 -6.253 -1.567 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.570 -8.724 -1.759 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.579 -5.831 -2.963 1.00 0.00 C ATOM 0 H ILE A 41 8.467 -7.159 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 41 5.796 -8.075 0.563 1.00 0.00 H new ATOM 0 HB ILE A 41 6.441 -7.699 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.231 -6.212 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.807 -5.531 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.006 -8.453 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.014 -9.710 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.901 -8.744 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.157 -4.827 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.417 -5.837 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.816 -6.529 -3.307 1.00 0.00 H new ATOM 634 N VAL A 42 6.806 -10.490 0.162 1.00 0.00 N ATOM 635 CA VAL A 42 7.363 -11.866 -0.044 1.00 0.00 C ATOM 636 C VAL A 42 6.242 -12.693 -0.761 1.00 0.00 C ATOM 637 O VAL A 42 5.246 -13.068 -0.128 1.00 0.00 O ATOM 638 CB VAL A 42 7.834 -12.575 1.279 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.686 -13.832 0.988 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.626 -11.704 2.281 1.00 0.00 C ATOM 0 H VAL A 42 6.012 -10.464 0.802 1.00 0.00 H new ATOM 0 HA VAL A 42 8.270 -11.796 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 42 6.885 -12.825 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.990 -14.291 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.097 -14.545 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.572 -13.548 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.895 -12.303 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.532 -11.332 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.010 -10.862 2.597 1.00 0.00 H new ATOM 650 N GLN A 43 6.398 -12.997 -2.064 1.00 0.00 N ATOM 651 CA GLN A 43 5.375 -13.752 -2.844 1.00 0.00 C ATOM 652 C GLN A 43 5.449 -15.297 -2.598 1.00 0.00 C ATOM 653 O GLN A 43 6.341 -15.977 -3.116 1.00 0.00 O ATOM 654 CB GLN A 43 5.554 -13.354 -4.337 1.00 0.00 C ATOM 655 CG GLN A 43 4.478 -13.923 -5.301 1.00 0.00 C ATOM 656 CD GLN A 43 4.558 -13.461 -6.765 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.520 -12.859 -7.233 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.536 -13.748 -7.536 1.00 0.00 N ATOM 0 H GLN A 43 7.221 -12.735 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 43 4.371 -13.486 -2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.548 -12.267 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.535 -13.691 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.544 -15.011 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.495 -13.656 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.733 -14.248 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.544 -13.471 -8.518 1.00 0.00 H new ATOM 667 N ASN A 44 4.492 -15.851 -1.830 1.00 0.00 N ATOM 668 CA ASN A 44 4.422 -17.317 -1.537 1.00 0.00 C ATOM 669 C ASN A 44 3.133 -17.930 -2.192 1.00 0.00 C ATOM 670 O ASN A 44 2.206 -18.368 -1.498 1.00 0.00 O ATOM 671 CB ASN A 44 4.475 -17.546 0.005 1.00 0.00 C ATOM 672 CG ASN A 44 5.726 -17.075 0.754 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.703 -17.796 0.912 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.733 -15.867 1.263 1.00 0.00 N ATOM 0 H ASN A 44 3.746 -15.310 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 44 5.280 -17.830 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.612 -17.048 0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.356 -18.614 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.546 -15.538 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.925 -15.256 1.138 1.00 0.00 H new ATOM 681 N GLY A 45 3.068 -17.955 -3.542 1.00 0.00 N ATOM 682 CA GLY A 45 1.871 -18.438 -4.292 1.00 0.00 C ATOM 683 C GLY A 45 0.631 -17.528 -4.130 1.00 0.00 C ATOM 684 O GLY A 45 0.496 -16.518 -4.821 1.00 0.00 O ATOM 0 H GLY A 45 3.832 -17.646 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.121 -18.512 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.621 -19.443 -3.952 1.00 0.00 H new ATOM 688 N LYS A 46 -0.260 -17.904 -3.201 1.00 0.00 N ATOM 689 CA LYS A 46 -1.409 -17.052 -2.784 1.00 0.00 C ATOM 690 C LYS A 46 -1.054 -16.047 -1.627 1.00 0.00 C ATOM 691 O LYS A 46 -1.609 -14.947 -1.621 1.00 0.00 O ATOM 692 CB LYS A 46 -2.600 -17.962 -2.360 1.00 0.00 C ATOM 693 CG LYS A 46 -3.295 -18.761 -3.493 1.00 0.00 C ATOM 694 CD LYS A 46 -4.372 -19.764 -2.997 1.00 0.00 C ATOM 695 CE LYS A 46 -5.856 -19.362 -3.152 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.235 -18.228 -2.269 1.00 0.00 N ATOM 0 H LYS A 46 -0.215 -18.799 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.683 -16.441 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.240 -18.670 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.349 -17.339 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.760 -18.059 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.537 -19.307 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.223 -20.705 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.186 -19.960 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.049 -19.090 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.487 -20.221 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.175 -18.405 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.538 -18.136 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.258 -17.349 -2.824 1.00 0.00 H new ATOM 710 N HIS A 47 -0.183 -16.402 -0.656 1.00 0.00 N ATOM 711 CA HIS A 47 0.144 -15.543 0.518 1.00 0.00 C ATOM 712 C HIS A 47 1.307 -14.543 0.230 1.00 0.00 C ATOM 713 O HIS A 47 2.467 -14.924 0.048 1.00 0.00 O ATOM 714 CB HIS A 47 0.478 -16.451 1.737 1.00 0.00 C ATOM 715 CG HIS A 47 -0.728 -17.148 2.363 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.165 -18.411 2.017 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.592 -16.586 3.315 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.282 -18.501 2.804 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.645 -17.447 3.604 1.00 0.00 N ATOM 0 H HIS A 47 0.316 -17.291 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.730 -14.931 0.741 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.196 -17.209 1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.967 -15.846 2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.457 -15.613 3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.877 -19.402 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.446 -17.330 4.224 1.00 0.00 H new ATOM 727 N PHE A 48 0.982 -13.247 0.220 1.00 0.00 N ATOM 728 CA PHE A 48 1.951 -12.154 -0.044 1.00 0.00 C ATOM 729 C PHE A 48 2.256 -11.449 1.313 1.00 0.00 C ATOM 730 O PHE A 48 1.445 -10.660 1.812 1.00 0.00 O ATOM 731 CB PHE A 48 1.322 -11.194 -1.088 1.00 0.00 C ATOM 732 CG PHE A 48 1.334 -11.591 -2.582 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.776 -12.791 -3.046 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.798 -10.660 -3.516 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.705 -13.057 -4.412 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.713 -10.920 -4.878 1.00 0.00 C ATOM 737 CZ PHE A 48 1.168 -12.115 -5.326 1.00 0.00 C ATOM 0 H PHE A 48 0.034 -12.914 0.395 1.00 0.00 H new ATOM 0 HA PHE A 48 2.893 -12.519 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.283 -11.032 -0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.831 -10.234 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.398 -13.515 -2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.227 -9.729 -3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.292 -13.992 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.072 -10.191 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.103 -12.314 -6.385 1.00 0.00 H new ATOM 747 N LYS A 49 3.423 -11.741 1.914 1.00 0.00 N ATOM 748 CA LYS A 49 3.801 -11.188 3.250 1.00 0.00 C ATOM 749 C LYS A 49 4.475 -9.804 3.110 1.00 0.00 C ATOM 750 O LYS A 49 5.578 -9.709 2.566 1.00 0.00 O ATOM 751 CB LYS A 49 4.732 -12.164 4.017 1.00 0.00 C ATOM 752 CG LYS A 49 4.093 -13.522 4.362 1.00 0.00 C ATOM 753 CD LYS A 49 5.101 -14.543 4.932 1.00 0.00 C ATOM 754 CE LYS A 49 4.644 -16.012 4.856 1.00 0.00 C ATOM 755 NZ LYS A 49 3.462 -16.292 5.721 1.00 0.00 N ATOM 0 H LYS A 49 4.128 -12.355 1.506 1.00 0.00 H new ATOM 0 HA LYS A 49 2.883 -11.066 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.625 -12.340 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.057 -11.685 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.294 -13.366 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.633 -13.938 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.043 -14.442 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.301 -14.293 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.400 -16.259 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.468 -16.661 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.529 -17.259 6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.440 -15.614 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.591 -16.199 5.160 1.00 0.00 H new ATOM 769 N PHE A 50 3.817 -8.745 3.602 1.00 0.00 N ATOM 770 CA PHE A 50 4.353 -7.360 3.496 1.00 0.00 C ATOM 771 C PHE A 50 4.946 -6.765 4.807 1.00 0.00 C ATOM 772 O PHE A 50 4.493 -7.066 5.916 1.00 0.00 O ATOM 773 CB PHE A 50 3.347 -6.426 2.750 1.00 0.00 C ATOM 774 CG PHE A 50 2.019 -5.894 3.355 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.893 -5.416 4.667 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.959 -5.683 2.466 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.732 -4.769 5.082 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.207 -5.048 2.880 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.319 -4.590 4.189 1.00 0.00 C ATOM 0 H PHE A 50 2.917 -8.809 4.077 1.00 0.00 H new ATOM 0 HA PHE A 50 5.244 -7.431 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.917 -5.545 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.072 -6.950 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.707 -5.551 5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.048 -6.018 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.648 -4.407 6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.024 -4.911 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.223 -4.095 4.512 1.00 0.00 H new ATOM 789 N THR A 51 5.938 -5.872 4.645 1.00 0.00 N ATOM 790 CA THR A 51 6.505 -5.062 5.769 1.00 0.00 C ATOM 791 C THR A 51 6.523 -3.591 5.232 1.00 0.00 C ATOM 792 O THR A 51 7.460 -3.185 4.535 1.00 0.00 O ATOM 793 CB THR A 51 7.893 -5.587 6.264 1.00 0.00 C ATOM 794 OG1 THR A 51 7.904 -7.003 6.446 1.00 0.00 O ATOM 795 CG2 THR A 51 8.363 -4.973 7.584 1.00 0.00 C ATOM 0 H THR A 51 6.375 -5.683 3.743 1.00 0.00 H new ATOM 0 HA THR A 51 5.900 -5.135 6.673 1.00 0.00 H new ATOM 0 HB THR A 51 8.571 -5.285 5.466 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.734 -7.373 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.332 -5.391 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.452 -3.893 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.639 -5.197 8.368 1.00 0.00 H new ATOM 803 N ILE A 52 5.468 -2.800 5.516 1.00 0.00 N ATOM 804 CA ILE A 52 5.274 -1.447 4.902 1.00 0.00 C ATOM 805 C ILE A 52 5.623 -0.299 5.898 1.00 0.00 C ATOM 806 O ILE A 52 5.160 -0.259 7.040 1.00 0.00 O ATOM 807 CB ILE A 52 3.819 -1.307 4.315 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.404 -2.419 3.304 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.518 0.074 3.670 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.291 -2.604 2.060 1.00 0.00 C ATOM 0 H ILE A 52 4.729 -3.066 6.167 1.00 0.00 H new ATOM 0 HA ILE A 52 5.974 -1.351 4.072 1.00 0.00 H new ATOM 0 HB ILE A 52 3.215 -1.420 5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.371 -3.368 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.389 -2.208 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.496 0.084 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.636 0.858 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.211 0.250 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.890 -3.408 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.308 -1.679 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.305 -2.857 2.370 1.00 0.00 H new ATOM 822 N THR A 53 6.387 0.687 5.414 1.00 0.00 N ATOM 823 CA THR A 53 6.764 1.894 6.197 1.00 0.00 C ATOM 824 C THR A 53 5.752 3.057 5.939 1.00 0.00 C ATOM 825 O THR A 53 5.692 3.668 4.861 1.00 0.00 O ATOM 826 CB THR A 53 8.229 2.339 5.903 1.00 0.00 C ATOM 827 OG1 THR A 53 8.467 2.426 4.504 1.00 0.00 O ATOM 828 CG2 THR A 53 9.305 1.420 6.503 1.00 0.00 C ATOM 0 H THR A 53 6.768 0.681 4.468 1.00 0.00 H new ATOM 0 HA THR A 53 6.717 1.632 7.254 1.00 0.00 H new ATOM 0 HB THR A 53 8.315 3.314 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.831 1.576 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.293 1.804 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.194 1.389 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.192 0.414 6.098 1.00 0.00 H new ATOM 836 N ALA A 54 4.949 3.354 6.969 1.00 0.00 N ATOM 837 CA ALA A 54 4.028 4.521 6.989 1.00 0.00 C ATOM 838 C ALA A 54 4.696 5.710 7.749 1.00 0.00 C ATOM 839 O ALA A 54 4.313 6.074 8.867 1.00 0.00 O ATOM 840 CB ALA A 54 2.723 4.004 7.624 1.00 0.00 C ATOM 0 H ALA A 54 4.912 2.795 7.821 1.00 0.00 H new ATOM 0 HA ALA A 54 3.804 4.922 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.995 4.814 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.322 3.190 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.927 3.641 8.631 1.00 0.00 H new ATOM 846 N GLY A 55 5.730 6.301 7.118 1.00 0.00 N ATOM 847 CA GLY A 55 6.568 7.351 7.748 1.00 0.00 C ATOM 848 C GLY A 55 7.503 6.792 8.844 1.00 0.00 C ATOM 849 O GLY A 55 8.594 6.301 8.548 1.00 0.00 O ATOM 0 H GLY A 55 6.010 6.069 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.167 7.841 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.922 8.114 8.182 1.00 0.00 H new ATOM 853 N SER A 56 7.035 6.856 10.096 1.00 0.00 N ATOM 854 CA SER A 56 7.733 6.246 11.266 1.00 0.00 C ATOM 855 C SER A 56 7.241 4.797 11.624 1.00 0.00 C ATOM 856 O SER A 56 8.053 3.987 12.080 1.00 0.00 O ATOM 857 CB SER A 56 7.589 7.162 12.508 1.00 0.00 C ATOM 858 OG SER A 56 8.053 8.496 12.278 1.00 0.00 O ATOM 0 H SER A 56 6.165 7.328 10.341 1.00 0.00 H new ATOM 0 HA SER A 56 8.779 6.153 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.542 7.195 12.809 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.146 6.728 13.339 1.00 0.00 H new ATOM 0 HG SER A 56 7.808 9.063 13.038 1.00 0.00 H new ATOM 864 N LYS A 57 5.938 4.459 11.461 1.00 0.00 N ATOM 865 CA LYS A 57 5.392 3.126 11.838 1.00 0.00 C ATOM 866 C LYS A 57 5.641 2.014 10.765 1.00 0.00 C ATOM 867 O LYS A 57 5.342 2.178 9.577 1.00 0.00 O ATOM 868 CB LYS A 57 3.870 3.277 12.142 1.00 0.00 C ATOM 869 CG LYS A 57 3.243 2.043 12.847 1.00 0.00 C ATOM 870 CD LYS A 57 1.707 2.088 12.962 1.00 0.00 C ATOM 871 CE LYS A 57 1.165 0.823 13.658 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.319 0.799 13.617 1.00 0.00 N ATOM 0 H LYS A 57 5.241 5.093 11.069 1.00 0.00 H new ATOM 0 HA LYS A 57 5.929 2.790 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.720 4.156 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.339 3.458 11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.528 1.144 12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.668 1.956 13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.407 2.973 13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.267 2.177 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.562 -0.066 13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.506 0.796 14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.663 -0.099 14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.695 1.591 14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.641 0.887 12.632 1.00 0.00 H new ATOM 886 N VAL A 58 6.121 0.847 11.227 1.00 0.00 N ATOM 887 CA VAL A 58 6.308 -0.359 10.369 1.00 0.00 C ATOM 888 C VAL A 58 4.998 -1.218 10.487 1.00 0.00 C ATOM 889 O VAL A 58 4.737 -1.841 11.522 1.00 0.00 O ATOM 890 CB VAL A 58 7.613 -1.131 10.769 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.838 -2.388 9.901 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.907 -0.286 10.662 1.00 0.00 C ATOM 0 H VAL A 58 6.392 0.702 12.200 1.00 0.00 H new ATOM 0 HA VAL A 58 6.455 -0.092 9.322 1.00 0.00 H new ATOM 0 HB VAL A 58 7.438 -1.394 11.812 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.754 -2.889 10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.994 -3.068 10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.925 -2.097 8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.763 -0.893 10.956 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.037 0.051 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.832 0.579 11.321 1.00 0.00 H new ATOM 902 N ILE A 59 4.177 -1.233 9.425 1.00 0.00 N ATOM 903 CA ILE A 59 2.882 -1.978 9.384 1.00 0.00 C ATOM 904 C ILE A 59 3.141 -3.312 8.613 1.00 0.00 C ATOM 905 O ILE A 59 3.239 -3.326 7.380 1.00 0.00 O ATOM 906 CB ILE A 59 1.740 -1.096 8.752 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.498 0.239 9.522 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.398 -1.872 8.650 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.579 1.254 8.822 1.00 0.00 C ATOM 0 H ILE A 59 4.382 -0.731 8.561 1.00 0.00 H new ATOM 0 HA ILE A 59 2.527 -2.215 10.387 1.00 0.00 H new ATOM 0 HB ILE A 59 2.095 -0.850 7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.072 0.003 10.497 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.463 0.713 9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.362 -1.227 8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.534 -2.754 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.079 -2.180 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.480 2.144 9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.009 1.530 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.404 0.808 8.667 1.00 0.00 H new ATOM 921 N GLN A 60 3.239 -4.432 9.348 1.00 0.00 N ATOM 922 CA GLN A 60 3.501 -5.772 8.760 1.00 0.00 C ATOM 923 C GLN A 60 2.267 -6.720 8.895 1.00 0.00 C ATOM 924 O GLN A 60 1.791 -7.040 9.988 1.00 0.00 O ATOM 925 CB GLN A 60 4.843 -6.353 9.280 1.00 0.00 C ATOM 926 CG GLN A 60 4.976 -6.769 10.766 1.00 0.00 C ATOM 927 CD GLN A 60 4.985 -5.619 11.783 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.949 -5.137 12.229 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.134 -5.110 12.155 1.00 0.00 N ATOM 0 H GLN A 60 3.141 -4.443 10.363 1.00 0.00 H new ATOM 0 HA GLN A 60 3.635 -5.667 7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.074 -7.230 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.618 -5.613 9.079 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.152 -7.439 11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.897 -7.340 10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.005 -5.499 11.794 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.157 -4.325 12.806 1.00 0.00 H new ATOM 938 N ASN A 61 1.744 -7.133 7.737 1.00 0.00 N ATOM 939 CA ASN A 61 0.565 -8.042 7.604 1.00 0.00 C ATOM 940 C ASN A 61 0.731 -8.886 6.287 1.00 0.00 C ATOM 941 O ASN A 61 1.547 -8.559 5.415 1.00 0.00 O ATOM 942 CB ASN A 61 -0.772 -7.236 7.579 1.00 0.00 C ATOM 943 CG ASN A 61 -1.257 -6.608 8.890 1.00 0.00 C ATOM 944 OD1 ASN A 61 -1.927 -7.233 9.705 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.979 -5.348 9.119 1.00 0.00 N ATOM 0 H ASN A 61 2.126 -6.847 6.836 1.00 0.00 H new ATOM 0 HA ASN A 61 0.522 -8.706 8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.667 -6.437 6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.556 -7.901 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.319 -4.897 9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.422 -4.818 8.448 1.00 0.00 H new ATOM 952 N GLU A 62 -0.037 -9.981 6.116 1.00 0.00 N ATOM 953 CA GLU A 62 0.027 -10.819 4.883 1.00 0.00 C ATOM 954 C GLU A 62 -1.348 -10.948 4.167 1.00 0.00 C ATOM 955 O GLU A 62 -2.364 -11.268 4.793 1.00 0.00 O ATOM 956 CB GLU A 62 0.741 -12.166 5.155 1.00 0.00 C ATOM 957 CG GLU A 62 0.015 -13.299 5.922 1.00 0.00 C ATOM 958 CD GLU A 62 0.890 -14.536 6.048 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.104 -15.246 5.040 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.457 -14.779 7.133 1.00 0.00 O ATOM 0 H GLU A 62 -0.709 -10.312 6.808 1.00 0.00 H new ATOM 0 HA GLU A 62 0.650 -10.296 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.041 -12.572 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.655 -11.941 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.264 -12.947 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.909 -13.557 5.404 1.00 0.00 H new ATOM 967 N PHE A 63 -1.370 -10.690 2.844 1.00 0.00 N ATOM 968 CA PHE A 63 -2.605 -10.804 2.024 1.00 0.00 C ATOM 969 C PHE A 63 -2.657 -12.102 1.174 1.00 0.00 C ATOM 970 O PHE A 63 -1.709 -12.477 0.478 1.00 0.00 O ATOM 971 CB PHE A 63 -2.926 -9.529 1.210 1.00 0.00 C ATOM 972 CG PHE A 63 -1.942 -9.076 0.118 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.901 -8.193 0.419 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.108 -9.519 -1.199 1.00 0.00 C ATOM 975 CE1 PHE A 63 -0.044 -7.753 -0.587 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.266 -9.058 -2.206 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.235 -8.175 -1.897 1.00 0.00 C ATOM 0 H PHE A 63 -0.548 -10.400 2.315 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.418 -10.894 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.897 -9.676 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.036 -8.706 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.761 -7.851 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.893 -10.222 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.769 -7.084 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.412 -9.384 -3.225 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.419 -7.817 -2.678 1.00 0.00 H new ATOM 987 N THR A 64 -3.821 -12.754 1.217 1.00 0.00 N ATOM 988 CA THR A 64 -4.083 -14.013 0.481 1.00 0.00 C ATOM 989 C THR A 64 -4.843 -13.656 -0.835 1.00 0.00 C ATOM 990 O THR A 64 -5.966 -13.144 -0.809 1.00 0.00 O ATOM 991 CB THR A 64 -4.865 -15.004 1.400 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.265 -15.116 2.688 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.935 -16.430 0.840 1.00 0.00 C ATOM 0 H THR A 64 -4.619 -12.429 1.764 1.00 0.00 H new ATOM 0 HA THR A 64 -3.158 -14.519 0.205 1.00 0.00 H new ATOM 0 HB THR A 64 -5.866 -14.577 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.782 -15.743 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.492 -17.065 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.437 -16.417 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.926 -16.824 0.720 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.238 -13.931 -2.002 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.872 -13.653 -3.331 1.00 0.00 C ATOM 1003 C VAL A 65 -5.970 -14.737 -3.595 1.00 0.00 C ATOM 1004 O VAL A 65 -5.669 -15.936 -3.661 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.777 -13.576 -4.448 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.298 -13.478 -5.903 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.796 -12.393 -4.257 1.00 0.00 C ATOM 0 H VAL A 65 -3.309 -14.346 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.365 -12.681 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.280 -14.538 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.453 -13.430 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.903 -14.355 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.905 -12.579 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.062 -12.395 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.350 -11.455 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.284 -12.496 -3.300 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.240 -14.317 -3.708 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.384 -15.266 -3.872 1.00 0.00 C ATOM 1019 C GLY A 66 -9.143 -15.760 -2.610 1.00 0.00 C ATOM 1020 O GLY A 66 -10.209 -16.349 -2.781 1.00 0.00 O ATOM 0 H GLY A 66 -7.513 -13.334 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.113 -14.791 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.009 -16.146 -4.395 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.617 -15.565 -1.385 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.343 -15.876 -0.112 1.00 0.00 C ATOM 1026 C GLU A 67 -9.173 -14.713 0.928 1.00 0.00 C ATOM 1027 O GLU A 67 -8.200 -13.956 0.888 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.857 -17.240 0.466 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.453 -18.507 -0.205 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.927 -18.812 0.053 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.628 -18.043 0.746 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.380 -19.856 -0.458 1.00 0.00 O ATOM 0 H GLU A 67 -7.680 -15.189 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.408 -15.963 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.771 -17.283 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.095 -17.268 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.311 -18.416 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.869 -19.367 0.122 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.123 -14.566 1.874 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.133 -13.452 2.873 1.00 0.00 C ATOM 1041 C GLU A 68 -8.812 -13.170 3.681 1.00 0.00 C ATOM 1042 O GLU A 68 -8.184 -14.082 4.227 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.368 -13.573 3.807 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.411 -14.803 4.754 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.895 -14.528 6.170 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.050 -14.099 6.367 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.100 -14.693 7.119 1.00 0.00 O ATOM 0 H GLU A 68 -10.908 -15.209 1.976 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.204 -12.559 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.422 -12.672 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.263 -13.591 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.058 -15.559 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.410 -15.232 4.808 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.409 -11.887 3.747 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.180 -11.457 4.466 1.00 0.00 C ATOM 1056 C CYS A 69 -7.338 -10.069 5.150 1.00 0.00 C ATOM 1057 O CYS A 69 -7.634 -9.050 4.518 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.965 -11.468 3.527 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.319 -10.701 1.904 1.00 0.00 S ATOM 0 H CYS A 69 -8.918 -11.119 3.309 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.014 -12.182 5.263 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.139 -10.938 4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.638 -12.497 3.374 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.991 -9.602 2.081 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.087 -10.063 6.465 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.198 -8.859 7.333 1.00 0.00 C ATOM 1067 C GLU A 70 -5.920 -7.956 7.333 1.00 0.00 C ATOM 1068 O GLU A 70 -4.839 -8.375 7.757 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.696 -9.260 8.747 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.874 -10.332 9.492 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.320 -10.593 10.918 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.456 -11.072 11.116 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.523 -10.321 11.843 1.00 0.00 O ATOM 0 H GLU A 70 -6.797 -10.899 6.973 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.956 -8.208 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.725 -8.363 9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.722 -9.618 8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.927 -11.266 8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.828 -10.026 9.503 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.067 -6.700 6.876 1.00 0.00 N ATOM 1081 CA LEU A 71 -4.949 -5.714 6.800 1.00 0.00 C ATOM 1082 C LEU A 71 -5.297 -4.413 7.594 1.00 0.00 C ATOM 1083 O LEU A 71 -6.419 -3.904 7.515 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.652 -5.354 5.313 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.279 -6.491 4.321 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.011 -5.885 2.935 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.058 -7.315 4.760 1.00 0.00 C ATOM 0 H LEU A 71 -6.959 -6.330 6.547 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.065 -6.169 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.531 -4.846 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.836 -4.631 5.306 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.126 -7.177 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.749 -6.679 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.906 -5.372 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.188 -5.174 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.857 -8.090 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.190 -6.661 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.260 -7.779 5.725 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.332 -3.843 8.341 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.542 -2.562 9.085 1.00 0.00 C ATOM 1101 C GLU A 72 -4.716 -1.325 8.133 1.00 0.00 C ATOM 1102 O GLU A 72 -4.020 -1.150 7.128 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.338 -2.382 10.051 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.498 -1.238 11.087 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.235 -0.891 11.852 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.463 -0.023 11.389 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.021 -1.415 12.965 1.00 0.00 O ATOM 0 H GLU A 72 -3.399 -4.239 8.452 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.476 -2.617 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.177 -3.318 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.441 -2.195 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.850 -0.345 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.273 -1.519 11.801 1.00 0.00 H new ATOM 1114 N THR A 73 -5.682 -0.478 8.496 1.00 0.00 N ATOM 1115 CA THR A 73 -6.027 0.777 7.772 1.00 0.00 C ATOM 1116 C THR A 73 -5.587 2.045 8.572 1.00 0.00 C ATOM 1117 O THR A 73 -5.356 2.022 9.785 1.00 0.00 O ATOM 1118 CB THR A 73 -7.557 0.755 7.427 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.998 1.988 6.864 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.520 0.461 8.586 1.00 0.00 C ATOM 0 H THR A 73 -6.266 -0.636 9.317 1.00 0.00 H new ATOM 0 HA THR A 73 -5.471 0.831 6.836 1.00 0.00 H new ATOM 0 HB THR A 73 -7.604 -0.077 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.687 2.382 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.546 0.474 8.219 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.297 -0.520 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.402 1.220 9.359 1.00 0.00 H new ATOM 1128 N MET A 74 -5.506 3.179 7.855 1.00 0.00 N ATOM 1129 CA MET A 74 -5.274 4.517 8.488 1.00 0.00 C ATOM 1130 C MET A 74 -6.530 4.980 9.298 1.00 0.00 C ATOM 1131 O MET A 74 -6.431 5.192 10.509 1.00 0.00 O ATOM 1132 CB MET A 74 -4.806 5.555 7.431 1.00 0.00 C ATOM 1133 CG MET A 74 -3.332 5.445 7.005 1.00 0.00 C ATOM 1134 SD MET A 74 -2.261 5.747 8.425 1.00 0.00 S ATOM 1135 CE MET A 74 -1.525 4.119 8.634 1.00 0.00 C ATOM 0 H MET A 74 -5.596 3.211 6.839 1.00 0.00 H new ATOM 0 HA MET A 74 -4.463 4.429 9.211 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.431 5.452 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.978 6.555 7.828 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.136 4.455 6.594 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.117 6.166 6.216 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.834 4.138 9.477 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.310 3.387 8.824 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.985 3.845 7.728 1.00 0.00 H new ATOM 1145 N THR A 75 -7.700 5.113 8.643 1.00 0.00 N ATOM 1146 CA THR A 75 -8.994 5.345 9.340 1.00 0.00 C ATOM 1147 C THR A 75 -9.699 3.951 9.437 1.00 0.00 C ATOM 1148 O THR A 75 -9.952 3.286 8.420 1.00 0.00 O ATOM 1149 CB THR A 75 -9.874 6.396 8.606 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.156 7.614 8.431 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.164 6.776 9.351 1.00 0.00 C ATOM 0 H THR A 75 -7.782 5.064 7.627 1.00 0.00 H new ATOM 0 HA THR A 75 -8.828 5.764 10.333 1.00 0.00 H new ATOM 0 HB THR A 75 -10.135 5.914 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.768 8.372 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.717 7.513 8.769 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.780 5.887 9.489 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.912 7.197 10.324 1.00 0.00 H new ATOM 1159 N GLY A 76 -9.980 3.512 10.670 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.690 2.233 10.930 1.00 0.00 C ATOM 1161 C GLY A 76 -10.107 1.327 12.030 1.00 0.00 C ATOM 1162 O GLY A 76 -10.148 1.686 13.209 1.00 0.00 O ATOM 0 H GLY A 76 -9.728 4.022 11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.722 2.465 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.717 1.664 10.000 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.627 0.132 11.641 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.271 -0.962 12.582 1.00 0.00 C ATOM 1168 C GLU A 77 -8.416 -2.031 11.827 1.00 0.00 C ATOM 1169 O GLU A 77 -7.184 -2.028 11.895 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.519 -1.485 13.375 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.718 -2.162 12.649 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.333 -1.471 11.434 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.876 -1.716 10.293 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.278 -0.670 11.586 1.00 0.00 O ATOM 0 H GLU A 77 -9.472 -0.110 10.662 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.630 -0.593 13.383 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.150 -2.199 14.111 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.922 -0.636 13.928 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.395 -3.154 12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.511 -2.303 13.384 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.083 -2.926 11.085 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.456 -4.011 10.299 1.00 0.00 C ATOM 1183 C LYS A 78 -9.492 -4.496 9.242 1.00 0.00 C ATOM 1184 O LYS A 78 -10.534 -5.069 9.577 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.959 -5.155 11.233 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.629 -5.755 10.751 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.137 -6.899 11.654 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.782 -7.466 11.194 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.492 -8.706 11.960 1.00 0.00 N ATOM 0 H LYS A 78 -10.100 -2.920 11.009 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.569 -3.651 9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.837 -4.769 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.715 -5.939 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.749 -6.126 9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.872 -4.972 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.048 -6.537 12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.879 -7.698 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.807 -7.680 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.993 -6.731 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.876 -9.326 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.014 -8.460 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.382 -9.200 12.170 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.200 -4.251 7.958 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.134 -4.545 6.838 1.00 0.00 C ATOM 1205 C VAL A 79 -9.852 -5.917 6.152 1.00 0.00 C ATOM 1206 O VAL A 79 -8.717 -6.197 5.748 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.108 -3.319 5.861 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.811 -3.094 5.053 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.293 -3.321 4.880 1.00 0.00 C ATOM 0 H VAL A 79 -8.315 -3.845 7.656 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.148 -4.668 7.219 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.177 -2.487 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.926 -2.216 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.978 -2.940 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.613 -3.968 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.226 -2.451 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.266 -4.229 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.228 -3.284 5.439 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.894 -6.760 5.988 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.773 -8.037 5.224 1.00 0.00 C ATOM 1221 C LYS A 80 -10.949 -7.743 3.698 1.00 0.00 C ATOM 1222 O LYS A 80 -12.052 -7.747 3.146 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.700 -9.140 5.804 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.141 -9.761 7.109 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.864 -11.039 7.566 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.186 -11.682 8.795 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.768 -13.031 9.015 1.00 0.00 N ATOM 0 H LYS A 80 -11.825 -6.588 6.368 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.774 -8.458 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.685 -8.716 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.834 -9.925 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.085 -9.988 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.202 -9.019 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.900 -10.802 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.883 -11.757 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.110 -11.757 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.335 -11.059 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.692 -13.282 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.769 -13.027 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.250 -13.730 8.444 1.00 0.00 H new ATOM 1241 N THR A 81 -9.810 -7.456 3.052 1.00 0.00 N ATOM 1242 CA THR A 81 -9.724 -7.003 1.638 1.00 0.00 C ATOM 1243 C THR A 81 -9.023 -8.096 0.777 1.00 0.00 C ATOM 1244 O THR A 81 -7.798 -8.254 0.827 1.00 0.00 O ATOM 1245 CB THR A 81 -9.011 -5.607 1.639 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.027 -5.004 0.353 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.552 -5.576 2.135 1.00 0.00 C ATOM 0 H THR A 81 -8.897 -7.531 3.500 1.00 0.00 H new ATOM 0 HA THR A 81 -10.703 -6.869 1.177 1.00 0.00 H new ATOM 0 HB THR A 81 -9.607 -5.053 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.614 -5.610 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.173 -4.555 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.510 -5.930 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.940 -6.221 1.504 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.784 -8.866 -0.024 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.177 -9.904 -0.917 1.00 0.00 C ATOM 1257 C VAL A 82 -8.614 -9.245 -2.217 1.00 0.00 C ATOM 1258 O VAL A 82 -9.223 -8.344 -2.809 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.069 -11.167 -1.132 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.262 -11.051 -2.092 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.243 -12.336 -1.685 1.00 0.00 C ATOM 0 H VAL A 82 -10.800 -8.801 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.319 -10.330 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.464 -11.313 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.786 -12.006 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.944 -10.280 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.904 -10.784 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.888 -13.203 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.804 -12.051 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.449 -12.585 -0.981 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.420 -9.684 -2.626 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.685 -9.084 -3.771 1.00 0.00 C ATOM 1273 C VAL A 83 -6.740 -10.048 -5.002 1.00 0.00 C ATOM 1274 O VAL A 83 -6.501 -11.252 -4.872 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.228 -8.698 -3.322 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.549 -7.780 -4.355 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.086 -7.982 -1.947 1.00 0.00 C ATOM 0 H VAL A 83 -6.928 -10.460 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.160 -8.157 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.753 -9.675 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.544 -7.531 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.491 -8.293 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.131 -6.865 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.034 -7.770 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.647 -7.048 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.477 -8.626 -1.159 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.073 -9.523 -6.194 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.089 -10.311 -7.464 1.00 0.00 C ATOM 1289 C GLN A 84 -5.859 -9.914 -8.338 1.00 0.00 C ATOM 1290 O GLN A 84 -5.528 -8.733 -8.486 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.426 -10.097 -8.226 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.630 -10.982 -7.806 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.128 -10.850 -6.361 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.741 -9.865 -5.964 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.895 -11.841 -5.535 1.00 0.00 N ATOM 0 H GLN A 84 -7.339 -8.546 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.018 -11.374 -7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.717 -9.053 -8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.240 -10.261 -9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.463 -10.757 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.359 -12.024 -7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.386 -12.664 -5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.223 -11.789 -4.571 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.203 -10.921 -8.933 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.958 -10.741 -9.720 1.00 0.00 C ATOM 1306 C LEU A 85 -4.153 -10.992 -11.251 1.00 0.00 C ATOM 1307 O LEU A 85 -4.619 -12.061 -11.660 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.921 -11.715 -9.085 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.514 -11.760 -9.729 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.796 -10.400 -9.717 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.637 -12.814 -9.033 1.00 0.00 C ATOM 0 H LEU A 85 -5.517 -11.890 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.618 -9.706 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.805 -11.448 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.339 -12.721 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.667 -12.032 -10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.184 -10.502 -10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.387 -9.671 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.675 -10.061 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.348 -12.832 -9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.535 -12.563 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.102 -13.795 -9.129 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.731 -10.022 -12.082 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.694 -10.170 -13.565 1.00 0.00 C ATOM 1325 C GLU A 86 -2.200 -10.163 -14.047 1.00 0.00 C ATOM 1326 O GLU A 86 -1.403 -9.275 -13.712 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.522 -9.041 -14.227 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.773 -9.176 -15.752 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.359 -7.923 -16.389 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.587 -7.720 -16.298 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.591 -7.139 -16.990 1.00 0.00 O ATOM 0 H GLU A 86 -3.405 -9.113 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.141 -11.119 -13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.488 -8.986 -13.725 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.014 -8.094 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.832 -9.418 -16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.450 -10.012 -15.927 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.839 -11.195 -14.828 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.484 -11.341 -15.454 1.00 0.00 C ATOM 1340 C GLY A 87 0.823 -11.298 -14.628 1.00 0.00 C ATOM 1341 O GLY A 87 1.868 -10.918 -15.157 1.00 0.00 O ATOM 0 H GLY A 87 -2.471 -11.963 -15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.487 -12.293 -15.984 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.403 -10.557 -16.207 1.00 0.00 H new ATOM 1345 N ASP A 88 0.750 -11.685 -13.352 1.00 0.00 N ATOM 1346 CA ASP A 88 1.868 -11.541 -12.361 1.00 0.00 C ATOM 1347 C ASP A 88 2.401 -10.069 -12.116 1.00 0.00 C ATOM 1348 O ASP A 88 3.532 -9.865 -11.665 1.00 0.00 O ATOM 1349 CB ASP A 88 2.950 -12.643 -12.567 1.00 0.00 C ATOM 1350 CG ASP A 88 3.831 -12.951 -11.347 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.306 -13.025 -10.213 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.053 -13.142 -11.522 1.00 0.00 O ATOM 0 H ASP A 88 -0.086 -12.113 -12.954 1.00 0.00 H new ATOM 0 HA ASP A 88 1.429 -11.734 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.451 -13.563 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.596 -12.342 -13.391 1.00 0.00 H new ATOM 1357 N ASN A 89 1.568 -9.031 -12.356 1.00 0.00 N ATOM 1358 CA ASN A 89 1.952 -7.604 -12.152 1.00 0.00 C ATOM 1359 C ASN A 89 0.829 -6.640 -11.646 1.00 0.00 C ATOM 1360 O ASN A 89 1.176 -5.653 -10.997 1.00 0.00 O ATOM 1361 CB ASN A 89 2.738 -7.054 -13.376 1.00 0.00 C ATOM 1362 CG ASN A 89 1.951 -6.516 -14.582 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.991 -7.102 -15.070 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.328 -5.366 -15.090 1.00 0.00 N ATOM 0 H ASN A 89 0.614 -9.151 -12.695 1.00 0.00 H new ATOM 0 HA ASN A 89 2.624 -7.623 -11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.384 -6.252 -13.020 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.388 -7.851 -13.736 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.824 -4.969 -15.883 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.125 -4.870 -14.692 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.467 -6.867 -11.933 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.569 -5.954 -11.510 1.00 0.00 C ATOM 1373 C LYS A 90 -2.390 -6.579 -10.338 1.00 0.00 C ATOM 1374 O LYS A 90 -3.126 -7.551 -10.535 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.501 -5.699 -12.725 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.914 -4.949 -13.943 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.806 -5.142 -15.189 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.244 -4.589 -16.509 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.308 -3.102 -16.557 1.00 0.00 N ATOM 0 H LYS A 90 -0.788 -7.679 -12.460 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.140 -5.015 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.869 -6.664 -13.072 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.365 -5.137 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.827 -3.887 -13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.908 -5.314 -14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.995 -6.208 -15.315 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.769 -4.668 -15.000 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.210 -4.912 -16.628 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.806 -5.004 -17.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.216 -2.782 -17.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.220 -2.781 -16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.533 -2.703 -15.990 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.287 -6.003 -9.132 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.046 -6.462 -7.932 1.00 0.00 C ATOM 1395 C LEU A 91 -4.212 -5.471 -7.619 1.00 0.00 C ATOM 1396 O LEU A 91 -3.968 -4.300 -7.310 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.070 -6.547 -6.730 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.101 -7.751 -6.663 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.072 -7.485 -5.557 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.800 -9.091 -6.374 1.00 0.00 C ATOM 0 H LEU A 91 -1.679 -5.205 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.479 -7.444 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.471 -5.636 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.665 -6.546 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.636 -7.843 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.621 -8.324 -5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.481 -6.574 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.586 -7.367 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.058 -9.889 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.314 -9.034 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.524 -9.301 -7.161 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.472 -5.937 -7.661 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.672 -5.067 -7.438 1.00 0.00 C ATOM 1414 C VAL A 92 -7.491 -5.512 -6.179 1.00 0.00 C ATOM 1415 O VAL A 92 -7.841 -6.691 -6.050 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.554 -4.949 -8.734 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.811 -4.295 -9.922 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.209 -6.258 -9.236 1.00 0.00 C ATOM 0 H VAL A 92 -5.701 -6.913 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.311 -4.061 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.358 -4.301 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.476 -4.244 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.498 -3.288 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.934 -4.891 -10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.792 -6.052 -10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.433 -6.988 -9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.864 -6.657 -8.462 1.00 0.00 H new ATOM 1428 N THR A 93 -7.823 -4.580 -5.255 1.00 0.00 N ATOM 1429 CA THR A 93 -8.647 -4.898 -4.042 1.00 0.00 C ATOM 1430 C THR A 93 -9.678 -3.774 -3.672 1.00 0.00 C ATOM 1431 O THR A 93 -9.672 -2.657 -4.207 1.00 0.00 O ATOM 1432 CB THR A 93 -7.747 -5.379 -2.855 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.531 -6.102 -1.910 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.961 -4.312 -2.070 1.00 0.00 C ATOM 0 H THR A 93 -7.539 -3.602 -5.317 1.00 0.00 H new ATOM 0 HA THR A 93 -9.284 -5.745 -4.295 1.00 0.00 H new ATOM 0 HB THR A 93 -6.994 -5.982 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.055 -6.787 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.384 -4.793 -1.280 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.285 -3.788 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.657 -3.599 -1.628 1.00 0.00 H new ATOM 1442 N THR A 94 -10.623 -4.127 -2.785 1.00 0.00 N ATOM 1443 CA THR A 94 -11.668 -3.201 -2.251 1.00 0.00 C ATOM 1444 C THR A 94 -11.372 -3.020 -0.727 1.00 0.00 C ATOM 1445 O THR A 94 -11.674 -3.902 0.083 1.00 0.00 O ATOM 1446 CB THR A 94 -13.095 -3.774 -2.526 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.309 -4.027 -3.913 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.237 -2.839 -2.098 1.00 0.00 C ATOM 0 H THR A 94 -10.694 -5.071 -2.406 1.00 0.00 H new ATOM 0 HA THR A 94 -11.640 -2.229 -2.744 1.00 0.00 H new ATOM 0 HB THR A 94 -13.118 -4.688 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.906 -3.343 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.195 -3.308 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.168 -2.647 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.159 -1.897 -2.641 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.782 -1.874 -0.346 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.346 -1.605 1.057 1.00 0.00 C ATOM 1458 C PHE A 95 -11.519 -0.974 1.906 1.00 0.00 C ATOM 1459 O PHE A 95 -12.650 -1.470 1.855 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.036 -0.770 0.860 1.00 0.00 C ATOM 1461 CG PHE A 95 -7.979 -0.834 1.964 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.085 -1.906 1.975 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.837 0.186 2.911 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.111 -2.001 2.965 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.848 0.100 3.888 1.00 0.00 C ATOM 1466 CZ PHE A 95 -5.998 -1.002 3.927 1.00 0.00 C ATOM 0 H PHE A 95 -10.590 -1.106 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.116 -2.478 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.569 -1.093 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.320 0.274 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.149 -2.666 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.495 1.042 2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.443 -2.850 2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.740 0.890 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.251 -1.081 4.703 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.296 0.095 2.701 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.389 0.809 3.439 1.00 0.00 C ATOM 1478 C LYS A 96 -13.044 1.849 2.463 1.00 0.00 C ATOM 1479 O LYS A 96 -12.716 3.039 2.487 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.818 1.502 4.713 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.186 0.628 5.822 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.140 -0.177 6.736 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.948 0.663 7.745 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.533 -0.236 8.781 1.00 0.00 N ATOM 0 H LYS A 96 -10.369 0.492 2.856 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.149 0.102 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.063 2.218 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.627 2.075 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.504 -0.077 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.582 1.277 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.838 -0.731 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.554 -0.913 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.304 1.406 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.740 1.207 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.716 0.307 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.425 -0.637 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.866 -1.006 8.989 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.934 1.387 1.557 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.515 2.214 0.454 1.00 0.00 C ATOM 1500 C ASN A 97 -13.472 2.880 -0.534 1.00 0.00 C ATOM 1501 O ASN A 97 -13.700 3.965 -1.073 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.597 3.175 1.019 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.789 2.535 1.748 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.752 2.270 2.944 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.875 2.261 1.066 1.00 0.00 N ATOM 0 H ASN A 97 -14.277 0.426 1.563 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.014 1.522 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.110 3.865 1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.986 3.770 0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.675 1.833 1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.920 2.476 0.070 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.345 2.190 -0.794 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.213 2.688 -1.633 1.00 0.00 C ATOM 1514 C ILE A 98 -10.837 1.526 -2.613 1.00 0.00 C ATOM 1515 O ILE A 98 -10.597 0.387 -2.184 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.980 3.083 -0.731 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.242 4.158 0.371 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.737 3.530 -1.545 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.525 3.873 1.703 1.00 0.00 C ATOM 0 H ILE A 98 -12.183 1.253 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.500 3.584 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.787 2.138 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.922 5.131 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.315 4.223 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.928 3.787 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.417 2.717 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.992 4.401 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.756 4.664 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.862 2.915 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.448 3.838 1.536 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.738 1.809 -3.925 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.275 0.798 -4.916 1.00 0.00 C ATOM 1533 C LYS A 99 -8.719 0.906 -5.061 1.00 0.00 C ATOM 1534 O LYS A 99 -8.197 1.817 -5.719 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.078 0.966 -6.232 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.836 -0.147 -7.289 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.079 -0.990 -7.663 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.745 -1.802 -6.531 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.886 -2.919 -6.054 1.00 0.00 N ATOM 0 H LYS A 99 -10.968 2.717 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.471 -0.223 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.141 0.994 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.825 1.929 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.446 0.315 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.063 -0.818 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.828 -0.320 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.792 -1.684 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.971 -1.139 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.695 -2.203 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.420 -3.505 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.593 -3.502 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.043 -2.532 -5.583 1.00 0.00 H new ATOM 1553 N SER A 100 -7.996 -0.026 -4.412 1.00 0.00 N ATOM 1554 CA SER A 100 -6.509 -0.051 -4.412 1.00 0.00 C ATOM 1555 C SER A 100 -5.953 -0.904 -5.589 1.00 0.00 C ATOM 1556 O SER A 100 -6.212 -2.109 -5.676 1.00 0.00 O ATOM 1557 CB SER A 100 -6.041 -0.561 -3.032 1.00 0.00 C ATOM 1558 OG SER A 100 -4.621 -0.469 -2.898 1.00 0.00 O ATOM 0 H SER A 100 -8.418 -0.783 -3.873 1.00 0.00 H new ATOM 0 HA SER A 100 -6.114 0.952 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.521 0.021 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.355 -1.596 -2.899 1.00 0.00 H new ATOM 0 HG SER A 100 -4.354 -0.797 -2.014 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.186 -0.255 -6.477 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.604 -0.893 -7.693 1.00 0.00 C ATOM 1566 C VAL A 101 -3.046 -0.835 -7.562 1.00 0.00 C ATOM 1567 O VAL A 101 -2.452 0.240 -7.693 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.139 -0.160 -8.978 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.505 -0.681 -10.289 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.678 -0.211 -9.152 1.00 0.00 C ATOM 0 H VAL A 101 -4.944 0.731 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.902 -1.937 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.839 0.873 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.918 -0.133 -11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.425 -0.535 -10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.724 -1.743 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.959 0.318 -10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.002 -1.249 -9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.157 0.262 -8.295 1.00 0.00 H new ATOM 1580 N THR A 102 -2.378 -1.978 -7.326 1.00 0.00 N ATOM 1581 CA THR A 102 -0.889 -2.036 -7.228 1.00 0.00 C ATOM 1582 C THR A 102 -0.302 -2.611 -8.560 1.00 0.00 C ATOM 1583 O THR A 102 -0.524 -3.793 -8.845 1.00 0.00 O ATOM 1584 CB THR A 102 -0.390 -2.832 -5.979 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.184 -2.615 -4.815 1.00 0.00 O ATOM 1586 CG2 THR A 102 1.065 -2.511 -5.610 1.00 0.00 C ATOM 0 H THR A 102 -2.836 -2.880 -7.198 1.00 0.00 H new ATOM 0 HA THR A 102 -0.522 -1.020 -7.085 1.00 0.00 H new ATOM 0 HB THR A 102 -0.476 -3.874 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.186 -1.660 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.356 -3.093 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.717 -2.763 -6.447 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.157 -1.448 -5.385 1.00 0.00 H new ATOM 1594 N GLU A 103 0.433 -1.813 -9.371 1.00 0.00 N ATOM 1595 CA GLU A 103 1.022 -2.311 -10.648 1.00 0.00 C ATOM 1596 C GLU A 103 2.577 -2.383 -10.591 1.00 0.00 C ATOM 1597 O GLU A 103 3.258 -1.436 -10.182 1.00 0.00 O ATOM 1598 CB GLU A 103 0.558 -1.457 -11.854 1.00 0.00 C ATOM 1599 CG GLU A 103 0.782 -2.156 -13.224 1.00 0.00 C ATOM 1600 CD GLU A 103 0.267 -1.392 -14.424 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.956 -0.458 -14.882 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.813 -1.752 -14.941 1.00 0.00 O ATOM 0 H GLU A 103 0.633 -0.833 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 103 0.654 -3.328 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.501 -1.226 -11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.094 -0.508 -11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.850 -2.331 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.299 -3.133 -13.200 1.00 0.00 H new ATOM 1609 N LEU A 104 3.128 -3.503 -11.074 1.00 0.00 N ATOM 1610 CA LEU A 104 4.594 -3.722 -11.163 1.00 0.00 C ATOM 1611 C LEU A 104 5.060 -3.538 -12.644 1.00 0.00 C ATOM 1612 O LEU A 104 4.684 -4.311 -13.532 1.00 0.00 O ATOM 1613 CB LEU A 104 4.936 -5.124 -10.574 1.00 0.00 C ATOM 1614 CG LEU A 104 6.200 -5.191 -9.682 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.396 -6.633 -9.201 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.487 -4.726 -10.382 1.00 0.00 C ATOM 0 H LEU A 104 2.577 -4.290 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 104 5.139 -2.986 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.083 -5.469 -9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.060 -5.824 -11.400 1.00 0.00 H new ATOM 0 HG LEU A 104 6.028 -4.504 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.284 -6.689 -8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.524 -6.947 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.519 -7.290 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.326 -4.804 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.675 -5.355 -11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.374 -3.690 -10.700 1.00 0.00 H new ATOM 1628 N ASN A 105 5.871 -2.505 -12.922 1.00 0.00 N ATOM 1629 CA ASN A 105 6.395 -2.234 -14.293 1.00 0.00 C ATOM 1630 C ASN A 105 7.905 -2.630 -14.354 1.00 0.00 C ATOM 1631 O ASN A 105 8.798 -1.801 -14.149 1.00 0.00 O ATOM 1632 CB ASN A 105 6.090 -0.752 -14.653 1.00 0.00 C ATOM 1633 CG ASN A 105 4.642 -0.480 -15.092 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.316 -0.544 -16.272 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.741 -0.190 -14.183 1.00 0.00 N ATOM 0 H ASN A 105 6.186 -1.835 -12.220 1.00 0.00 H new ATOM 0 HA ASN A 105 5.903 -2.841 -15.053 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.316 -0.129 -13.788 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.762 -0.442 -15.453 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.774 -0.019 -14.460 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.007 -0.136 -13.200 1.00 0.00 H new ATOM 1642 N GLY A 106 8.185 -3.923 -14.619 1.00 0.00 N ATOM 1643 CA GLY A 106 9.574 -4.464 -14.635 1.00 0.00 C ATOM 1644 C GLY A 106 10.124 -4.707 -13.214 1.00 0.00 C ATOM 1645 O GLY A 106 9.818 -5.730 -12.600 1.00 0.00 O ATOM 0 H GLY A 106 7.469 -4.620 -14.826 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.591 -5.400 -15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.227 -3.767 -15.161 1.00 0.00 H new ATOM 1649 N ASP A 107 10.909 -3.746 -12.709 1.00 0.00 N ATOM 1650 CA ASP A 107 11.395 -3.747 -11.292 1.00 0.00 C ATOM 1651 C ASP A 107 11.046 -2.422 -10.503 1.00 0.00 C ATOM 1652 O ASP A 107 11.759 -2.016 -9.577 1.00 0.00 O ATOM 1653 CB ASP A 107 12.900 -4.135 -11.270 1.00 0.00 C ATOM 1654 CG ASP A 107 13.206 -5.612 -11.545 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.629 -6.495 -10.868 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.046 -5.892 -12.423 1.00 0.00 O ATOM 0 H ASP A 107 11.232 -2.946 -13.253 1.00 0.00 H new ATOM 0 HA ASP A 107 10.849 -4.507 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.424 -3.530 -12.010 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.311 -3.873 -10.295 1.00 0.00 H new ATOM 1661 N ILE A 108 9.915 -1.762 -10.830 1.00 0.00 N ATOM 1662 CA ILE A 108 9.390 -0.570 -10.109 1.00 0.00 C ATOM 1663 C ILE A 108 7.878 -0.834 -9.821 1.00 0.00 C ATOM 1664 O ILE A 108 7.105 -1.161 -10.730 1.00 0.00 O ATOM 1665 CB ILE A 108 9.693 0.810 -10.771 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.908 1.125 -12.067 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.202 1.080 -10.978 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.617 1.920 -11.816 1.00 0.00 C ATOM 0 H ILE A 108 9.327 -2.043 -11.615 1.00 0.00 H new ATOM 0 HA ILE A 108 9.935 -0.460 -9.172 1.00 0.00 H new ATOM 0 HB ILE A 108 9.317 1.505 -10.020 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.549 1.690 -12.744 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.659 0.190 -12.569 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.336 2.057 -11.442 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.710 1.063 -10.014 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.624 0.310 -11.624 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.115 2.108 -12.765 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.958 1.347 -11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.861 2.870 -11.341 1.00 0.00 H new ATOM 1680 N ILE A 109 7.449 -0.689 -8.561 1.00 0.00 N ATOM 1681 CA ILE A 109 6.039 -0.927 -8.147 1.00 0.00 C ATOM 1682 C ILE A 109 5.287 0.409 -7.861 1.00 0.00 C ATOM 1683 O ILE A 109 5.818 1.307 -7.198 1.00 0.00 O ATOM 1684 CB ILE A 109 6.016 -1.944 -6.949 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.616 -2.586 -6.757 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.527 -1.358 -5.603 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.614 -3.852 -5.886 1.00 0.00 C ATOM 0 H ILE A 109 8.058 -0.405 -7.794 1.00 0.00 H new ATOM 0 HA ILE A 109 5.485 -1.382 -8.968 1.00 0.00 H new ATOM 0 HB ILE A 109 6.726 -2.719 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.950 -1.849 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.205 -2.832 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.478 -2.125 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.559 -1.026 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.904 -0.512 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.597 -4.235 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.251 -4.609 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.992 -3.611 -4.893 1.00 0.00 H new ATOM 1699 N THR A 110 4.037 0.526 -8.340 1.00 0.00 N ATOM 1700 CA THR A 110 3.170 1.700 -8.040 1.00 0.00 C ATOM 1701 C THR A 110 1.901 1.264 -7.262 1.00 0.00 C ATOM 1702 O THR A 110 1.174 0.391 -7.732 1.00 0.00 O ATOM 1703 CB THR A 110 2.853 2.543 -9.312 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.512 3.883 -8.949 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.735 2.047 -10.237 1.00 0.00 C ATOM 0 H THR A 110 3.596 -0.173 -8.937 1.00 0.00 H new ATOM 0 HA THR A 110 3.728 2.370 -7.386 1.00 0.00 H new ATOM 0 HB THR A 110 3.780 2.454 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.517 3.969 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.628 2.732 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.984 1.053 -10.608 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.797 2.003 -9.683 1.00 0.00 H new ATOM 1713 N ASN A 111 1.608 1.883 -6.108 1.00 0.00 N ATOM 1714 CA ASN A 111 0.367 1.586 -5.337 1.00 0.00 C ATOM 1715 C ASN A 111 -0.621 2.773 -5.513 1.00 0.00 C ATOM 1716 O ASN A 111 -0.409 3.848 -4.945 1.00 0.00 O ATOM 1717 CB ASN A 111 0.716 1.269 -3.861 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.442 0.590 -3.124 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.816 -0.536 -3.430 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.078 1.246 -2.187 1.00 0.00 N ATOM 0 H ASN A 111 2.204 2.592 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.130 0.693 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.594 0.623 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.980 2.193 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.877 0.819 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.774 2.184 -1.925 1.00 0.00 H new ATOM 1727 N THR A 112 -1.682 2.567 -6.310 1.00 0.00 N ATOM 1728 CA THR A 112 -2.674 3.628 -6.641 1.00 0.00 C ATOM 1729 C THR A 112 -4.003 3.397 -5.850 1.00 0.00 C ATOM 1730 O THR A 112 -4.847 2.579 -6.231 1.00 0.00 O ATOM 1731 CB THR A 112 -2.867 3.661 -8.189 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.613 3.688 -8.868 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.636 4.886 -8.693 1.00 0.00 C ATOM 0 H THR A 112 -1.885 1.668 -6.746 1.00 0.00 H new ATOM 0 HA THR A 112 -2.314 4.609 -6.332 1.00 0.00 H new ATOM 0 HB THR A 112 -3.436 2.756 -8.401 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.765 3.707 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.729 4.836 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.629 4.902 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.098 5.793 -8.416 1.00 0.00 H new ATOM 1741 N MET A 113 -4.182 4.133 -4.743 1.00 0.00 N ATOM 1742 CA MET A 113 -5.415 4.076 -3.910 1.00 0.00 C ATOM 1743 C MET A 113 -6.443 5.133 -4.412 1.00 0.00 C ATOM 1744 O MET A 113 -6.328 6.336 -4.152 1.00 0.00 O ATOM 1745 CB MET A 113 -5.059 4.255 -2.415 1.00 0.00 C ATOM 1746 CG MET A 113 -4.521 2.988 -1.729 1.00 0.00 C ATOM 1747 SD MET A 113 -4.502 3.229 0.057 1.00 0.00 S ATOM 1748 CE MET A 113 -4.542 1.508 0.584 1.00 0.00 C ATOM 0 H MET A 113 -3.483 4.787 -4.392 1.00 0.00 H new ATOM 0 HA MET A 113 -5.883 3.097 -4.009 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.314 5.045 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.948 4.592 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.145 2.131 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.515 2.768 -2.087 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.535 1.461 1.673 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.447 1.033 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.668 0.987 0.193 1.00 0.00 H new ATOM 1758 N THR A 114 -7.457 4.646 -5.139 1.00 0.00 N ATOM 1759 CA THR A 114 -8.494 5.505 -5.775 1.00 0.00 C ATOM 1760 C THR A 114 -9.758 5.631 -4.865 1.00 0.00 C ATOM 1761 O THR A 114 -10.504 4.667 -4.652 1.00 0.00 O ATOM 1762 CB THR A 114 -8.830 5.012 -7.218 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.363 3.693 -7.225 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.656 5.016 -8.209 1.00 0.00 C ATOM 0 H THR A 114 -7.592 3.649 -5.309 1.00 0.00 H new ATOM 0 HA THR A 114 -8.088 6.511 -5.881 1.00 0.00 H new ATOM 0 HB THR A 114 -9.562 5.749 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.711 3.075 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.998 4.656 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.271 6.030 -8.313 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.865 4.364 -7.838 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.975 6.836 -4.313 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.162 7.163 -3.472 1.00 0.00 C ATOM 1774 C LEU A 115 -12.047 8.195 -4.244 1.00 0.00 C ATOM 1775 O LEU A 115 -12.003 9.402 -3.980 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.612 7.626 -2.090 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.620 8.156 -1.036 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.683 7.123 -0.626 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.857 8.634 0.210 1.00 0.00 C ATOM 0 H LEU A 115 -9.335 7.621 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.827 6.321 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.078 6.785 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.877 8.410 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.155 8.982 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.352 7.563 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.257 6.824 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.194 6.248 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.566 9.006 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.294 7.802 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.170 9.433 -0.068 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.838 7.706 -5.225 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.692 8.573 -6.088 1.00 0.00 C ATOM 1793 C GLY A 116 -12.898 9.494 -7.042 1.00 0.00 C ATOM 1794 O GLY A 116 -12.486 9.081 -8.127 1.00 0.00 O ATOM 0 H GLY A 116 -12.907 6.712 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.353 7.939 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.326 9.189 -5.451 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.691 10.731 -6.586 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.845 11.744 -7.289 1.00 0.00 C ATOM 1800 C ASP A 117 -10.346 11.764 -6.804 1.00 0.00 C ATOM 1801 O ASP A 117 -9.455 12.153 -7.565 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.486 13.147 -7.107 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.834 13.355 -7.798 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.852 13.574 -9.028 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.877 13.305 -7.110 1.00 0.00 O ATOM 0 H ASP A 117 -13.099 11.076 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.813 11.463 -8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.613 13.333 -6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.788 13.896 -7.480 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.055 11.361 -5.548 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.688 11.357 -4.964 1.00 0.00 C ATOM 1812 C ILE A 118 -7.890 10.103 -5.471 1.00 0.00 C ATOM 1813 O ILE A 118 -8.293 8.959 -5.229 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.772 11.360 -3.395 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.718 12.385 -2.693 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.361 11.436 -2.759 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.301 13.864 -2.701 1.00 0.00 C ATOM 0 H ILE A 118 -10.768 11.025 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.161 12.256 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.259 10.403 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.699 12.311 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.836 12.076 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.451 11.436 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.773 10.574 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.865 12.351 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.052 14.457 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.339 13.974 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.216 14.212 -3.730 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.727 10.324 -6.102 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.869 9.218 -6.630 1.00 0.00 C ATOM 1831 C VAL A 119 -4.523 9.215 -5.828 1.00 0.00 C ATOM 1832 O VAL A 119 -3.552 9.860 -6.234 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.719 9.364 -8.189 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.829 8.272 -8.819 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.063 9.334 -8.964 1.00 0.00 C ATOM 0 H VAL A 119 -6.346 11.256 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.319 8.237 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.258 10.347 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.767 8.430 -9.896 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.830 8.322 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.261 7.291 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.870 9.441 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.568 8.386 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.696 10.154 -8.626 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.444 8.501 -4.684 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.189 8.410 -3.877 1.00 0.00 C ATOM 1847 C PHE A 120 -2.189 7.402 -4.525 1.00 0.00 C ATOM 1848 O PHE A 120 -2.325 6.187 -4.363 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.542 8.121 -2.388 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.377 7.761 -1.434 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.171 8.472 -1.470 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.480 6.641 -0.600 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.073 8.033 -0.741 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.380 6.207 0.138 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.176 6.902 0.063 1.00 0.00 C ATOM 0 H PHE A 120 -5.227 7.978 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.662 9.364 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.047 8.999 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.261 7.302 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.094 9.368 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.418 6.110 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.862 8.570 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.462 5.333 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.679 6.563 0.629 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.172 7.930 -5.227 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.205 7.088 -5.978 1.00 0.00 C ATOM 1867 C LYS A 121 1.242 7.096 -5.393 1.00 0.00 C ATOM 1868 O LYS A 121 1.957 8.100 -5.455 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.260 7.541 -7.461 1.00 0.00 C ATOM 1870 CG LYS A 121 0.446 6.590 -8.451 1.00 0.00 C ATOM 1871 CD LYS A 121 0.333 7.108 -9.896 1.00 0.00 C ATOM 1872 CE LYS A 121 1.021 6.167 -10.898 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.887 6.744 -12.261 1.00 0.00 N ATOM 0 H LYS A 121 -0.992 8.932 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.497 6.042 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.304 7.643 -7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.192 8.529 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.497 6.491 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.004 5.596 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.719 7.215 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.781 8.099 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.073 6.045 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.567 5.177 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.349 6.117 -12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.121 6.839 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.339 7.680 -12.288 1.00 0.00 H new ATOM 1887 N ARG A 122 1.689 5.946 -4.864 1.00 0.00 N ATOM 1888 CA ARG A 122 3.122 5.730 -4.508 1.00 0.00 C ATOM 1889 C ARG A 122 3.907 5.165 -5.743 1.00 0.00 C ATOM 1890 O ARG A 122 3.346 4.477 -6.603 1.00 0.00 O ATOM 1891 CB ARG A 122 3.244 4.747 -3.310 1.00 0.00 C ATOM 1892 CG ARG A 122 3.126 5.368 -1.897 1.00 0.00 C ATOM 1893 CD ARG A 122 3.576 4.355 -0.829 1.00 0.00 C ATOM 1894 NE ARG A 122 3.708 4.970 0.517 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.303 4.389 1.561 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.760 3.160 1.558 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.452 5.088 2.648 1.00 0.00 N ATOM 0 H ARG A 122 1.088 5.145 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 122 3.553 6.689 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.472 3.984 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.206 4.239 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.738 6.268 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.096 5.670 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.857 3.537 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.532 3.922 -1.123 1.00 0.00 H new ATOM 0 HE ARG A 122 3.316 5.902 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.671 2.585 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.205 2.779 2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.118 6.051 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.903 4.673 3.463 1.00 0.00 H new ATOM 1911 N ILE A 123 5.215 5.461 -5.821 1.00 0.00 N ATOM 1912 CA ILE A 123 6.127 4.926 -6.876 1.00 0.00 C ATOM 1913 C ILE A 123 7.410 4.463 -6.100 1.00 0.00 C ATOM 1914 O ILE A 123 8.198 5.297 -5.637 1.00 0.00 O ATOM 1915 CB ILE A 123 6.412 5.951 -8.039 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.156 6.459 -8.821 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.391 5.346 -9.083 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.454 7.699 -8.234 1.00 0.00 C ATOM 0 H ILE A 123 5.682 6.079 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 123 5.675 4.094 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 123 6.837 6.809 -7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.456 6.686 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.432 5.646 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.572 6.072 -9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.334 5.097 -8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.955 4.443 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.598 7.961 -8.856 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.113 7.479 -7.222 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.153 8.535 -8.208 1.00 0.00 H new ATOM 1930 N SER A 124 7.621 3.139 -5.978 1.00 0.00 N ATOM 1931 CA SER A 124 8.754 2.546 -5.207 1.00 0.00 C ATOM 1932 C SER A 124 9.612 1.581 -6.087 1.00 0.00 C ATOM 1933 O SER A 124 9.076 0.786 -6.865 1.00 0.00 O ATOM 1934 CB SER A 124 8.157 1.807 -3.980 1.00 0.00 C ATOM 1935 OG SER A 124 7.463 2.698 -3.100 1.00 0.00 O ATOM 0 H SER A 124 7.015 2.441 -6.408 1.00 0.00 H new ATOM 0 HA SER A 124 9.429 3.337 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.473 1.031 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.957 1.308 -3.433 1.00 0.00 H new ATOM 0 HG SER A 124 6.545 2.381 -2.971 1.00 0.00 H new ATOM 1941 N LYS A 125 10.953 1.624 -5.974 1.00 0.00 N ATOM 1942 CA LYS A 125 11.860 0.765 -6.787 1.00 0.00 C ATOM 1943 C LYS A 125 12.372 -0.492 -6.015 1.00 0.00 C ATOM 1944 O LYS A 125 12.787 -0.397 -4.858 1.00 0.00 O ATOM 1945 CB LYS A 125 13.006 1.675 -7.298 1.00 0.00 C ATOM 1946 CG LYS A 125 13.982 0.948 -8.252 1.00 0.00 C ATOM 1947 CD LYS A 125 14.774 1.895 -9.175 1.00 0.00 C ATOM 1948 CE LYS A 125 15.334 1.210 -10.438 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.397 0.215 -10.109 1.00 0.00 N ATOM 0 H LYS A 125 11.442 2.244 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 125 11.316 0.340 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.577 2.534 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.563 2.061 -6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.685 0.362 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.419 0.245 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.127 2.718 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.600 2.329 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.523 0.712 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.740 1.966 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.746 -0.222 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.183 0.694 -9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.004 -0.521 -9.488 1.00 0.00 H new ATOM 1963 N ARG A 126 12.420 -1.653 -6.698 1.00 0.00 N ATOM 1964 CA ARG A 126 12.863 -2.944 -6.109 1.00 0.00 C ATOM 1965 C ARG A 126 14.341 -2.975 -5.608 1.00 0.00 C ATOM 1966 O ARG A 126 15.284 -2.706 -6.360 1.00 0.00 O ATOM 1967 CB ARG A 126 12.625 -4.017 -7.200 1.00 0.00 C ATOM 1968 CG ARG A 126 12.585 -5.475 -6.694 1.00 0.00 C ATOM 1969 CD ARG A 126 12.399 -6.430 -7.882 1.00 0.00 C ATOM 1970 NE ARG A 126 12.003 -7.796 -7.458 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.592 -8.749 -8.294 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.597 -8.640 -9.605 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.159 -9.856 -7.772 1.00 0.00 N ATOM 0 H ARG A 126 12.152 -1.728 -7.679 1.00 0.00 H new ATOM 0 HA ARG A 126 12.287 -3.125 -5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.683 -3.798 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.413 -3.931 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.508 -5.712 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.769 -5.601 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.640 -6.027 -8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.328 -6.484 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 126 12.048 -8.020 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.931 -7.782 -10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.267 -9.413 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.143 -9.970 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.835 -10.612 -8.375 1.00 0.00 H new ATOM 1987 N ILE A 127 14.495 -3.299 -4.321 1.00 0.00 N ATOM 1988 CA ILE A 127 15.805 -3.408 -3.625 1.00 0.00 C ATOM 1989 C ILE A 127 15.822 -4.758 -2.815 1.00 0.00 C ATOM 1990 O ILE A 127 16.926 -5.157 -2.383 1.00 0.00 O ATOM 1991 CB ILE A 127 16.063 -2.048 -2.851 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.556 -0.929 -3.820 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.991 -2.165 -1.622 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.691 0.490 -3.242 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.780 -5.443 -2.630 1.00 0.00 O ATOM 0 H ILE A 127 13.703 -3.499 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 127 16.672 -3.498 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 127 15.090 -1.769 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.527 -1.227 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.868 -0.886 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.107 -1.185 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.555 -2.857 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.967 -2.536 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.042 1.168 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.721 0.828 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.406 0.481 -2.419 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.934 10.140 14.486 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.811 11.127 15.245 1.00 0.00 O HETATM 2010 O2 OLA A 128 6.985 9.915 13.848 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.708 9.275 14.223 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.928 9.586 12.925 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.561 9.022 11.641 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.778 9.355 10.357 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.447 8.590 10.217 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.727 8.894 8.892 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.380 8.153 8.797 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.353 8.493 7.518 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.367 7.793 6.377 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.344 6.483 6.095 1.00 0.00 C HETATM 2021 C12 OLA A 128 -0.027 5.900 4.720 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.633 4.546 4.404 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.341 4.135 2.949 1.00 0.00 C HETATM 2024 C15 OLA A 128 0.941 2.779 2.547 1.00 0.00 C HETATM 2025 C16 OLA A 128 0.652 2.455 1.067 1.00 0.00 C HETATM 2026 C17 OLA A 128 1.374 1.198 0.551 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.697 -0.119 0.955 1.00 0.00 C HETATM 0 H183 OLA A 128 0.662 -0.191 2.042 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.317 -0.144 0.557 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.265 -0.958 0.554 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.433 1.246 -0.536 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.397 1.199 0.926 1.00 0.00 H new HETATM 0 H162 OLA A 128 -0.422 2.324 0.937 1.00 0.00 H new HETATM 0 H161 OLA A 128 0.945 3.308 0.455 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.018 2.791 2.715 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.528 1.994 3.181 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.739 4.100 2.802 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.729 4.904 2.281 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.710 4.613 4.561 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.258 3.783 5.087 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.110 5.783 4.669 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.254 6.616 3.948 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.422 6.640 6.142 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.093 5.762 6.873 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.753 10.261 14.349 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.937 9.414 7.527 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.551 7.078 8.844 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.241 8.415 9.654 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.559 9.968 8.806 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.363 8.603 8.056 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.639 7.519 10.285 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.793 8.850 11.050 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.574 10.425 10.336 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.405 9.133 9.494 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.575 9.411 11.547 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.642 7.939 11.734 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.918 9.188 13.021 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.836 10.667 12.823 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.023 8.232 14.194 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.026 9.379 15.067 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.955 8.211 5.560 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.741 1.233 -1.879 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.840 1.488 -0.654 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.232 1.998 -2.733 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.497 -0.206 -2.315 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.365 -0.944 -1.569 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.337 -2.452 -1.875 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.235 -3.240 -1.133 1.00 0.00 C HETATM 2068 C6 OLA A 129 0.824 -3.042 -1.715 1.00 0.00 C HETATM 2069 C7 OLA A 129 -0.286 -3.696 -0.874 1.00 0.00 C HETATM 2070 C8 OLA A 129 -1.666 -3.507 -1.533 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.804 -4.021 -0.677 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.429 -3.368 0.312 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.142 -1.978 0.851 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.487 -2.025 2.248 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.416 -0.643 2.925 1.00 0.00 C HETATM 2076 C14 OLA A 129 -1.924 -0.718 4.386 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.783 0.633 5.128 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.050 1.520 5.186 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.086 2.626 4.112 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.449 3.323 4.011 1.00 0.00 C HETATM 0 H183 OLA A 129 -5.214 2.590 3.756 1.00 0.00 H new HETATM 0 H182 OLA A 129 -4.694 3.784 4.968 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.409 4.090 3.238 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.321 3.369 4.338 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.834 2.193 3.144 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.930 0.887 5.072 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.114 1.981 6.171 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.461 0.430 6.149 1.00 0.00 H new HETATM 0 H151 OLA A 129 -0.987 1.204 4.650 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.614 -1.348 4.948 1.00 0.00 H new HETATM 0 H141 OLA A 129 -0.955 -1.218 4.396 1.00 0.00 H new HETATM 0 H132 OLA A 129 -1.748 0.002 2.354 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.403 -0.181 2.902 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.050 -2.707 2.885 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.480 -2.432 2.158 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.485 -1.449 0.160 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.071 -1.411 0.905 1.00 0.00 H new HETATM 0 HO2 OLA A 129 4.927 1.731 -3.625 1.00 0.00 H new HETATM 0 H9 OLA A 129 -3.153 -5.032 -0.888 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.823 -2.448 -1.739 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.678 -4.023 -2.493 1.00 0.00 H new HETATM 0 H72 OLA A 129 -0.078 -4.760 -0.756 1.00 0.00 H new HETATM 0 H71 OLA A 129 -0.294 -3.260 0.125 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.622 -1.974 -1.801 1.00 0.00 H new HETATM 0 H61 OLA A 129 0.795 -3.454 -2.724 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.482 -4.301 -1.159 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.230 -2.939 -0.085 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.203 -2.589 -2.948 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.306 -2.879 -1.618 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.487 -0.797 -0.496 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.407 -0.504 -1.844 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.269 -0.211 -3.381 1.00 0.00 H new HETATM 0 H21 OLA A 129 5.421 -0.768 -2.184 1.00 0.00 H new HETATM 0 H10 OLA A 129 -4.249 -3.903 0.791 1.00 0.00 H new