USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.29) USER MOD Set 2.1: A 10 TYR OH : rot 120:sc= 0.408 USER MOD Set 2.2: A 60 THR OG1 : rot -61:sc= 0.328 USER MOD Set 3.1: A 41 MET CE :methyl 156:sc= -0.272 (180deg=-1.57) USER MOD Set 3.2: A 44 ASN : amide:sc= -0.042 K(o=-0.31,f=-1.8) USER MOD Set 4.1: A 40 GLN : amide:sc= 0.0162 X(o=1.4,f=1.2) USER MOD Set 4.2: A 49 SER OG : rot -49:sc= 1.42 USER MOD Set 5.1: A 16 HIS : no HD1:sc= -0.273 K(o=-0.52,f=-1.4) USER MOD Set 5.2: A 19 HIS : no HD1:sc= -0.243 K(o=-0.52,f=-1.5) USER MOD Set 6.1: A 3 HIS : no HE2:sc= -0.542 K(o=-0.71,f=-3.3) USER MOD Set 6.2: A 4 MET CE :methyl -165:sc= -0.172 (180deg=-0.227) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0126 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0.00472 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 145:sc= 0.0163 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -24:sc= 1.26 USER MOD Single : A 47 MET CE :methyl 164:sc= 0 (180deg=-0.0942) USER MOD Single : A 50 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.26) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -160:sc= 0.0582 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0309 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.4!) USER MOD Single : A 83 GLN : amide:sc= -0.609 K(o=-0.61,f=-0.049) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -73:sc= 1.2 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0596) USER MOD Single : A 98 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 102 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.52) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.107 K(o=0.11,f=-1.6!) USER MOD Single : A 109 MET CE :methyl -144:sc= -1.01 (180deg=-3.74) USER MOD Single : A 113 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.16) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.663 -2.013 9.602 1.00 0.00 N ATOM 2 CA GLY A 1 -17.595 -3.478 9.634 1.00 0.00 C ATOM 3 C GLY A 1 -16.178 -3.966 9.428 1.00 0.00 C ATOM 4 O GLY A 1 -15.227 -3.394 9.965 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.284 -1.678 10.366 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.710 -1.618 9.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.043 -1.703 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.972 -3.841 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.241 -3.891 8.859 1.00 0.00 H new ATOM 8 N SER A 2 -16.032 -5.052 8.671 1.00 0.00 N ATOM 9 CA SER A 2 -14.736 -5.594 8.295 1.00 0.00 C ATOM 10 C SER A 2 -14.032 -4.655 7.306 1.00 0.00 C ATOM 11 O SER A 2 -14.593 -3.644 6.871 1.00 0.00 O ATOM 12 CB SER A 2 -14.971 -6.979 7.684 1.00 0.00 C ATOM 13 OG SER A 2 -15.560 -7.835 8.641 1.00 0.00 O ATOM 0 H SER A 2 -16.820 -5.582 8.300 1.00 0.00 H new ATOM 0 HA SER A 2 -14.086 -5.683 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.618 -6.895 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.026 -7.399 7.341 1.00 0.00 H new ATOM 0 HG SER A 2 -15.709 -8.718 8.243 1.00 0.00 H new ATOM 19 N HIS A 3 -12.812 -5.022 6.911 1.00 0.00 N ATOM 20 CA HIS A 3 -12.133 -4.446 5.755 1.00 0.00 C ATOM 21 C HIS A 3 -11.949 -5.520 4.682 1.00 0.00 C ATOM 22 O HIS A 3 -12.175 -5.243 3.507 1.00 0.00 O ATOM 23 CB HIS A 3 -10.805 -3.795 6.161 1.00 0.00 C ATOM 24 CG HIS A 3 -9.752 -4.785 6.604 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.751 -5.523 7.772 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.665 -5.177 5.869 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.702 -6.356 7.721 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.014 -6.182 6.583 1.00 0.00 N ATOM 0 H HIS A 3 -12.264 -5.735 7.392 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.749 -3.651 5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.420 -3.221 5.318 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.990 -3.088 6.970 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.425 -5.448 8.534 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.366 -4.780 4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.446 -7.069 8.491 1.00 0.00 H new ATOM 36 N MET A 4 -11.614 -6.756 5.079 1.00 0.00 N ATOM 37 CA MET A 4 -11.402 -7.877 4.170 1.00 0.00 C ATOM 38 C MET A 4 -12.594 -8.094 3.240 1.00 0.00 C ATOM 39 O MET A 4 -12.385 -8.482 2.092 1.00 0.00 O ATOM 40 CB MET A 4 -11.115 -9.158 4.971 1.00 0.00 C ATOM 41 CG MET A 4 -9.670 -9.258 5.462 1.00 0.00 C ATOM 42 SD MET A 4 -8.476 -9.628 4.144 1.00 0.00 S ATOM 43 CE MET A 4 -7.635 -8.042 3.938 1.00 0.00 C ATOM 0 H MET A 4 -11.482 -7.003 6.060 1.00 0.00 H new ATOM 0 HA MET A 4 -10.541 -7.636 3.547 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.786 -9.199 5.829 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.340 -10.024 4.349 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.392 -8.318 5.939 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.608 -10.034 6.225 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.077 -8.045 3.002 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.372 -7.239 3.919 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.948 -7.884 4.769 1.00 0.00 H new ATOM 53 N GLU A 5 -13.831 -7.846 3.690 1.00 0.00 N ATOM 54 CA GLU A 5 -15.002 -8.080 2.847 1.00 0.00 C ATOM 55 C GLU A 5 -14.927 -7.298 1.536 1.00 0.00 C ATOM 56 O GLU A 5 -15.206 -7.830 0.459 1.00 0.00 O ATOM 57 CB GLU A 5 -16.323 -7.856 3.582 1.00 0.00 C ATOM 58 CG GLU A 5 -16.563 -6.449 4.119 1.00 0.00 C ATOM 59 CD GLU A 5 -17.866 -6.373 4.929 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.933 -6.798 4.414 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.844 -5.894 6.087 1.00 0.00 O ATOM 0 H GLU A 5 -14.042 -7.488 4.622 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.984 -9.139 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.139 -8.108 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.374 -8.555 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.724 -6.150 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.607 -5.744 3.289 1.00 0.00 H new ATOM 68 N VAL A 6 -14.505 -6.042 1.634 1.00 0.00 N ATOM 69 CA VAL A 6 -14.469 -5.113 0.522 1.00 0.00 C ATOM 70 C VAL A 6 -13.475 -5.594 -0.547 1.00 0.00 C ATOM 71 O VAL A 6 -13.727 -5.485 -1.751 1.00 0.00 O ATOM 72 CB VAL A 6 -14.128 -3.712 1.075 1.00 0.00 C ATOM 73 CG1 VAL A 6 -14.079 -2.685 -0.051 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.157 -3.243 2.119 1.00 0.00 C ATOM 0 H VAL A 6 -14.172 -5.638 2.509 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.439 -5.059 0.027 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.151 -3.793 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.837 -1.705 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.316 -2.973 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -15.049 -2.641 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.881 -2.253 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.145 -3.198 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.175 -3.945 2.953 1.00 0.00 H new ATOM 84 N PHE A 7 -12.329 -6.113 -0.105 1.00 0.00 N ATOM 85 CA PHE A 7 -11.188 -6.357 -0.976 1.00 0.00 C ATOM 86 C PHE A 7 -11.114 -7.804 -1.459 1.00 0.00 C ATOM 87 O PHE A 7 -10.465 -8.063 -2.468 1.00 0.00 O ATOM 88 CB PHE A 7 -9.892 -5.970 -0.249 1.00 0.00 C ATOM 89 CG PHE A 7 -9.867 -4.554 0.311 1.00 0.00 C ATOM 90 CD1 PHE A 7 -10.087 -3.443 -0.530 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.620 -4.342 1.681 1.00 0.00 C ATOM 92 CE1 PHE A 7 -10.068 -2.139 -0.011 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.583 -3.036 2.199 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.814 -1.940 1.352 1.00 0.00 C ATOM 0 H PHE A 7 -12.170 -6.375 0.868 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.316 -5.737 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.729 -6.671 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.057 -6.086 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.272 -3.597 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.458 -5.186 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -10.248 -1.294 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.377 -2.876 3.247 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.796 -0.938 1.754 1.00 0.00 H new ATOM 104 N ALA A 8 -11.766 -8.757 -0.790 1.00 0.00 N ATOM 105 CA ALA A 8 -11.494 -10.182 -0.980 1.00 0.00 C ATOM 106 C ALA A 8 -11.847 -10.636 -2.394 1.00 0.00 C ATOM 107 O ALA A 8 -11.144 -11.449 -2.984 1.00 0.00 O ATOM 108 CB ALA A 8 -12.257 -10.992 0.064 1.00 0.00 C ATOM 0 H ALA A 8 -12.495 -8.563 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.425 -10.352 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.053 -12.053 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.937 -10.692 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.326 -10.810 -0.044 1.00 0.00 H new ATOM 114 N GLU A 9 -12.885 -10.039 -2.974 1.00 0.00 N ATOM 115 CA GLU A 9 -13.272 -10.211 -4.365 1.00 0.00 C ATOM 116 C GLU A 9 -12.082 -10.020 -5.312 1.00 0.00 C ATOM 117 O GLU A 9 -11.911 -10.779 -6.264 1.00 0.00 O ATOM 118 CB GLU A 9 -14.300 -9.123 -4.691 1.00 0.00 C ATOM 119 CG GLU A 9 -15.618 -9.181 -3.917 1.00 0.00 C ATOM 120 CD GLU A 9 -16.602 -8.177 -4.512 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.529 -6.970 -4.184 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.380 -8.556 -5.415 1.00 0.00 O ATOM 0 H GLU A 9 -13.499 -9.401 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.665 -11.219 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.839 -8.152 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.526 -9.174 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.035 -10.187 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.444 -8.956 -2.865 1.00 0.00 H new ATOM 129 N TYR A 10 -11.266 -8.997 -5.056 1.00 0.00 N ATOM 130 CA TYR A 10 -10.107 -8.678 -5.865 1.00 0.00 C ATOM 131 C TYR A 10 -9.001 -9.706 -5.643 1.00 0.00 C ATOM 132 O TYR A 10 -8.400 -10.149 -6.618 1.00 0.00 O ATOM 133 CB TYR A 10 -9.609 -7.288 -5.515 1.00 0.00 C ATOM 134 CG TYR A 10 -8.328 -6.900 -6.216 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.331 -6.610 -7.594 1.00 0.00 C ATOM 136 CD2 TYR A 10 -7.175 -6.666 -5.445 1.00 0.00 C ATOM 137 CE1 TYR A 10 -7.195 -6.031 -8.190 1.00 0.00 C ATOM 138 CE2 TYR A 10 -6.043 -6.093 -6.038 1.00 0.00 C ATOM 139 CZ TYR A 10 -6.055 -5.747 -7.403 1.00 0.00 C ATOM 140 OH TYR A 10 -5.002 -5.064 -7.922 1.00 0.00 O ATOM 0 H TYR A 10 -11.400 -8.363 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.392 -8.703 -6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.383 -6.562 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.454 -7.229 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.203 -6.831 -8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.163 -6.928 -4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.194 -5.804 -9.246 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.157 -5.916 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.862 -4.240 -7.410 1.00 0.00 H new ATOM 150 N LEU A 11 -8.739 -10.095 -4.387 1.00 0.00 N ATOM 151 CA LEU A 11 -7.731 -11.108 -4.066 1.00 0.00 C ATOM 152 C LEU A 11 -8.063 -12.394 -4.818 1.00 0.00 C ATOM 153 O LEU A 11 -7.197 -12.952 -5.485 1.00 0.00 O ATOM 154 CB LEU A 11 -7.632 -11.388 -2.549 1.00 0.00 C ATOM 155 CG LEU A 11 -6.852 -10.382 -1.675 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.363 -10.246 -2.034 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.464 -8.984 -1.661 1.00 0.00 C ATOM 0 H LEU A 11 -9.219 -9.717 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.759 -10.725 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.646 -11.456 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.173 -12.368 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.930 -10.825 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.894 -9.520 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.872 -11.212 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.267 -9.910 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.864 -8.331 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.485 -8.586 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.480 -9.036 -1.270 1.00 0.00 H new ATOM 169 N LYS A 12 -9.325 -12.831 -4.778 1.00 0.00 N ATOM 170 CA LYS A 12 -9.797 -13.961 -5.568 1.00 0.00 C ATOM 171 C LYS A 12 -9.514 -13.739 -7.047 1.00 0.00 C ATOM 172 O LYS A 12 -9.134 -14.678 -7.744 1.00 0.00 O ATOM 173 CB LYS A 12 -11.306 -14.135 -5.384 1.00 0.00 C ATOM 174 CG LYS A 12 -11.719 -14.526 -3.965 1.00 0.00 C ATOM 175 CD LYS A 12 -13.232 -14.414 -3.771 1.00 0.00 C ATOM 176 CE LYS A 12 -13.957 -15.390 -4.703 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.416 -15.289 -4.562 1.00 0.00 N ATOM 0 H LYS A 12 -10.046 -12.407 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.271 -14.853 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.804 -13.203 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.661 -14.897 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.399 -15.548 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.210 -13.883 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.490 -14.630 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.558 -13.394 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.676 -15.185 -5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.639 -16.409 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.875 -15.963 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.686 -15.509 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.721 -14.323 -4.797 1.00 0.00 H new ATOM 191 N GLY A 13 -9.764 -12.529 -7.536 1.00 0.00 N ATOM 192 CA GLY A 13 -9.665 -12.186 -8.939 1.00 0.00 C ATOM 193 C GLY A 13 -8.235 -12.265 -9.470 1.00 0.00 C ATOM 194 O GLY A 13 -8.055 -12.455 -10.675 1.00 0.00 O ATOM 0 H GLY A 13 -10.048 -11.745 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.300 -12.857 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.048 -11.177 -9.089 1.00 0.00 H new ATOM 198 N ILE A 14 -7.214 -12.125 -8.621 1.00 0.00 N ATOM 199 CA ILE A 14 -5.825 -12.332 -8.994 1.00 0.00 C ATOM 200 C ILE A 14 -5.659 -13.808 -9.374 1.00 0.00 C ATOM 201 O ILE A 14 -5.723 -14.696 -8.527 1.00 0.00 O ATOM 202 CB ILE A 14 -4.879 -11.867 -7.862 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.052 -10.350 -7.615 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.416 -12.183 -8.227 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.306 -9.812 -6.390 1.00 0.00 C ATOM 0 H ILE A 14 -7.337 -11.861 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.550 -11.726 -9.857 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.134 -12.404 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.709 -9.811 -8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.114 -10.133 -7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.760 -11.851 -7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.300 -13.257 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.151 -11.665 -9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.485 -8.741 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.664 -10.320 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.237 -9.992 -6.507 1.00 0.00 H new ATOM 217 N ASP A 15 -5.444 -14.058 -10.666 1.00 0.00 N ATOM 218 CA ASP A 15 -5.201 -15.378 -11.274 1.00 0.00 C ATOM 219 C ASP A 15 -3.820 -15.957 -10.968 1.00 0.00 C ATOM 220 O ASP A 15 -3.506 -17.092 -11.316 1.00 0.00 O ATOM 221 CB ASP A 15 -5.318 -15.219 -12.785 1.00 0.00 C ATOM 222 CG ASP A 15 -5.377 -16.551 -13.528 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.060 -17.497 -13.066 1.00 0.00 O ATOM 224 OD2 ASP A 15 -4.755 -16.645 -14.604 1.00 0.00 O ATOM 0 H ASP A 15 -5.433 -13.309 -11.358 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.934 -16.067 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.214 -14.642 -13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.467 -14.644 -13.150 1.00 0.00 H new ATOM 229 N HIS A 16 -2.980 -15.135 -10.349 1.00 0.00 N ATOM 230 CA HIS A 16 -1.579 -15.401 -10.051 1.00 0.00 C ATOM 231 C HIS A 16 -1.381 -15.495 -8.523 1.00 0.00 C ATOM 232 O HIS A 16 -0.781 -14.602 -7.917 1.00 0.00 O ATOM 233 CB HIS A 16 -0.717 -14.343 -10.789 1.00 0.00 C ATOM 234 CG HIS A 16 0.323 -14.911 -11.723 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.570 -14.386 -11.949 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.164 -15.955 -12.593 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.172 -15.115 -12.900 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.348 -16.087 -13.330 1.00 0.00 N ATOM 0 H HIS A 16 -3.276 -14.214 -10.024 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.244 -16.369 -10.424 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.378 -13.690 -11.359 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.217 -13.721 -10.047 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.719 -16.569 -12.694 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.173 -14.946 -13.267 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.546 -16.782 -14.050 1.00 0.00 H new ATOM 246 N PRO A 17 -1.878 -16.562 -7.866 1.00 0.00 N ATOM 247 CA PRO A 17 -1.948 -16.664 -6.413 1.00 0.00 C ATOM 248 C PRO A 17 -0.585 -16.598 -5.721 1.00 0.00 C ATOM 249 O PRO A 17 -0.504 -16.046 -4.623 1.00 0.00 O ATOM 250 CB PRO A 17 -2.679 -17.969 -6.100 1.00 0.00 C ATOM 251 CG PRO A 17 -2.523 -18.786 -7.374 1.00 0.00 C ATOM 252 CD PRO A 17 -2.516 -17.722 -8.456 1.00 0.00 C ATOM 0 HA PRO A 17 -2.484 -15.801 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.240 -18.478 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.728 -17.793 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.601 -19.367 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.344 -19.491 -7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.970 -18.063 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.530 -17.488 -8.780 1.00 0.00 H new ATOM 260 N ASP A 18 0.493 -17.042 -6.379 1.00 0.00 N ATOM 261 CA ASP A 18 1.850 -16.996 -5.816 1.00 0.00 C ATOM 262 C ASP A 18 2.332 -15.558 -5.580 1.00 0.00 C ATOM 263 O ASP A 18 3.355 -15.326 -4.939 1.00 0.00 O ATOM 264 CB ASP A 18 2.828 -17.735 -6.737 1.00 0.00 C ATOM 265 CG ASP A 18 2.731 -19.249 -6.589 1.00 0.00 C ATOM 266 OD1 ASP A 18 2.810 -19.751 -5.443 1.00 0.00 O ATOM 267 OD2 ASP A 18 2.545 -19.925 -7.625 1.00 0.00 O ATOM 0 H ASP A 18 0.450 -17.443 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 18 1.816 -17.491 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.627 -17.460 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.846 -17.415 -6.514 1.00 0.00 H new ATOM 272 N HIS A 19 1.576 -14.573 -6.052 1.00 0.00 N ATOM 273 CA HIS A 19 1.871 -13.151 -5.954 1.00 0.00 C ATOM 274 C HIS A 19 0.712 -12.418 -5.265 1.00 0.00 C ATOM 275 O HIS A 19 0.852 -11.278 -4.830 1.00 0.00 O ATOM 276 CB HIS A 19 2.137 -12.637 -7.375 1.00 0.00 C ATOM 277 CG HIS A 19 2.925 -13.620 -8.212 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.364 -14.605 -8.989 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.274 -13.852 -8.163 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.346 -15.414 -9.408 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.538 -14.964 -8.977 1.00 0.00 N ATOM 0 H HIS A 19 0.697 -14.755 -6.537 1.00 0.00 H new ATOM 0 HA HIS A 19 2.753 -12.966 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.186 -12.428 -7.866 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.681 -11.694 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.001 -13.284 -7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.201 -16.301 -10.007 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.454 -15.354 -9.198 1.00 0.00 H new ATOM 289 N ARG A 20 -0.437 -13.086 -5.128 1.00 0.00 N ATOM 290 CA ARG A 20 -1.618 -12.578 -4.461 1.00 0.00 C ATOM 291 C ARG A 20 -1.346 -12.441 -2.973 1.00 0.00 C ATOM 292 O ARG A 20 -1.524 -11.350 -2.437 1.00 0.00 O ATOM 293 CB ARG A 20 -2.786 -13.535 -4.747 1.00 0.00 C ATOM 294 CG ARG A 20 -4.091 -13.092 -4.086 1.00 0.00 C ATOM 295 CD ARG A 20 -4.417 -13.940 -2.854 1.00 0.00 C ATOM 296 NE ARG A 20 -5.181 -15.146 -3.203 1.00 0.00 N ATOM 297 CZ ARG A 20 -5.948 -15.776 -2.309 1.00 0.00 C ATOM 298 NH1 ARG A 20 -5.703 -15.622 -1.012 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.972 -16.508 -2.724 1.00 0.00 N ATOM 0 H ARG A 20 -0.565 -14.029 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.881 -11.588 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.936 -13.606 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.526 -14.533 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.015 -12.044 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.907 -13.166 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.491 -14.229 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.987 -13.342 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.124 -15.512 -4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.934 -15.026 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.284 -16.100 -0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.171 -16.588 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.561 -16.991 -2.046 1.00 0.00 H new ATOM 313 N ASP A 21 -0.941 -13.527 -2.310 1.00 0.00 N ATOM 314 CA ASP A 21 -1.009 -13.660 -0.860 1.00 0.00 C ATOM 315 C ASP A 21 -0.137 -12.622 -0.145 1.00 0.00 C ATOM 316 O ASP A 21 -0.525 -12.122 0.903 1.00 0.00 O ATOM 317 CB ASP A 21 -0.632 -15.094 -0.473 1.00 0.00 C ATOM 318 CG ASP A 21 -1.747 -16.117 -0.721 1.00 0.00 C ATOM 319 OD1 ASP A 21 -2.923 -15.836 -0.391 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.436 -17.199 -1.276 1.00 0.00 O ATOM 0 H ASP A 21 -0.552 -14.347 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.030 -13.462 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.253 -15.391 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.360 -15.116 0.582 1.00 0.00 H new ATOM 325 N ARG A 22 0.975 -12.188 -0.754 1.00 0.00 N ATOM 326 CA ARG A 22 1.792 -11.047 -0.314 1.00 0.00 C ATOM 327 C ARG A 22 0.931 -9.829 0.000 1.00 0.00 C ATOM 328 O ARG A 22 1.098 -9.219 1.054 1.00 0.00 O ATOM 329 CB ARG A 22 2.782 -10.694 -1.446 1.00 0.00 C ATOM 330 CG ARG A 22 4.179 -11.320 -1.379 1.00 0.00 C ATOM 331 CD ARG A 22 4.277 -12.767 -0.889 1.00 0.00 C ATOM 332 NE ARG A 22 3.671 -13.762 -1.791 1.00 0.00 N ATOM 333 CZ ARG A 22 3.164 -14.941 -1.396 1.00 0.00 C ATOM 334 NH1 ARG A 22 2.871 -15.191 -0.125 1.00 0.00 N ATOM 335 NH2 ARG A 22 2.934 -15.883 -2.295 1.00 0.00 N ATOM 0 H ARG A 22 1.343 -12.635 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 22 2.321 -11.325 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.328 -10.984 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.899 -9.610 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.619 -11.271 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.795 -10.701 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.328 -13.018 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.796 -12.840 0.087 1.00 0.00 H new ATOM 0 HE ARG A 22 3.634 -13.540 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.030 -14.476 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.487 -16.098 0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.142 -15.711 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.549 -16.782 -2.005 1.00 0.00 H new ATOM 349 N THR A 23 0.056 -9.478 -0.938 1.00 0.00 N ATOM 350 CA THR A 23 -0.839 -8.321 -0.877 1.00 0.00 C ATOM 351 C THR A 23 -1.781 -8.404 0.339 1.00 0.00 C ATOM 352 O THR A 23 -1.975 -7.417 1.052 1.00 0.00 O ATOM 353 CB THR A 23 -1.618 -8.209 -2.202 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.765 -8.378 -3.322 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.300 -6.845 -2.353 1.00 0.00 C ATOM 0 H THR A 23 -0.055 -10.013 -1.799 1.00 0.00 H new ATOM 0 HA THR A 23 -0.246 -7.416 -0.746 1.00 0.00 H new ATOM 0 HB THR A 23 -2.368 -9.000 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.306 -8.463 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.837 -6.810 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.002 -6.696 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.547 -6.057 -2.334 1.00 0.00 H new ATOM 363 N GLU A 24 -2.362 -9.582 0.577 1.00 0.00 N ATOM 364 CA GLU A 24 -3.207 -9.933 1.712 1.00 0.00 C ATOM 365 C GLU A 24 -2.561 -9.598 3.063 1.00 0.00 C ATOM 366 O GLU A 24 -3.251 -9.164 3.991 1.00 0.00 O ATOM 367 CB GLU A 24 -3.535 -11.437 1.572 1.00 0.00 C ATOM 368 CG GLU A 24 -5.014 -11.729 1.299 1.00 0.00 C ATOM 369 CD GLU A 24 -5.725 -12.403 2.475 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.373 -12.141 3.644 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.611 -13.252 2.219 1.00 0.00 O ATOM 0 H GLU A 24 -2.244 -10.367 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.120 -9.338 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.937 -11.855 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.237 -11.950 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.524 -10.795 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.095 -12.368 0.420 1.00 0.00 H new ATOM 378 N GLU A 25 -1.241 -9.756 3.168 1.00 0.00 N ATOM 379 CA GLU A 25 -0.507 -9.507 4.401 1.00 0.00 C ATOM 380 C GLU A 25 -0.488 -8.020 4.752 1.00 0.00 C ATOM 381 O GLU A 25 -0.832 -7.665 5.885 1.00 0.00 O ATOM 382 CB GLU A 25 0.875 -10.127 4.337 1.00 0.00 C ATOM 383 CG GLU A 25 0.855 -11.636 4.100 1.00 0.00 C ATOM 384 CD GLU A 25 -0.111 -12.486 4.937 1.00 0.00 C ATOM 385 OE1 GLU A 25 -1.348 -12.342 4.821 1.00 0.00 O ATOM 386 OE2 GLU A 25 0.345 -13.331 5.741 1.00 0.00 O ATOM 0 H GLU A 25 -0.652 -10.062 2.394 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.030 -9.997 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.442 -9.649 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.401 -9.920 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.623 -11.805 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.863 -12.014 4.269 1.00 0.00 H new ATOM 393 N ILE A 26 -0.146 -7.170 3.772 1.00 0.00 N ATOM 394 CA ILE A 26 -0.206 -5.708 3.909 1.00 0.00 C ATOM 395 C ILE A 26 -1.618 -5.296 4.315 1.00 0.00 C ATOM 396 O ILE A 26 -1.773 -4.502 5.238 1.00 0.00 O ATOM 397 CB ILE A 26 0.193 -4.969 2.607 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.666 -5.222 2.207 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.044 -3.441 2.675 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.727 -5.841 0.813 1.00 0.00 C ATOM 0 H ILE A 26 0.182 -7.480 2.857 1.00 0.00 H new ATOM 0 HA ILE A 26 0.514 -5.423 4.676 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.465 -5.390 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.222 -4.285 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.139 -5.886 2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.256 -2.984 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.101 -3.244 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.546 -3.017 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.767 -6.016 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.187 -6.788 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.271 -5.162 0.093 1.00 0.00 H new ATOM 412 N LEU A 27 -2.647 -5.781 3.608 1.00 0.00 N ATOM 413 CA LEU A 27 -4.016 -5.300 3.799 1.00 0.00 C ATOM 414 C LEU A 27 -4.443 -5.463 5.259 1.00 0.00 C ATOM 415 O LEU A 27 -4.927 -4.505 5.863 1.00 0.00 O ATOM 416 CB LEU A 27 -4.989 -6.036 2.867 1.00 0.00 C ATOM 417 CG LEU A 27 -4.930 -5.583 1.401 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.524 -6.649 0.482 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.728 -4.289 1.204 1.00 0.00 C ATOM 0 H LEU A 27 -2.554 -6.507 2.898 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.042 -4.240 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.779 -7.105 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.004 -5.895 3.237 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.882 -5.418 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.472 -6.308 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.960 -7.576 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.565 -6.825 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.674 -3.984 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.769 -4.458 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.309 -3.504 1.833 1.00 0.00 H new ATOM 431 N SER A 28 -4.231 -6.653 5.820 1.00 0.00 N ATOM 432 CA SER A 28 -4.566 -6.957 7.202 1.00 0.00 C ATOM 433 C SER A 28 -3.711 -6.133 8.175 1.00 0.00 C ATOM 434 O SER A 28 -4.218 -5.661 9.196 1.00 0.00 O ATOM 435 CB SER A 28 -4.344 -8.456 7.390 1.00 0.00 C ATOM 436 OG SER A 28 -4.767 -8.917 8.653 1.00 0.00 O ATOM 0 H SER A 28 -3.817 -7.439 5.318 1.00 0.00 H new ATOM 0 HA SER A 28 -5.602 -6.695 7.417 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.881 -8.998 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.285 -8.681 7.262 1.00 0.00 H new ATOM 0 HG SER A 28 -4.604 -9.881 8.721 1.00 0.00 H new ATOM 442 N TRP A 29 -2.418 -5.961 7.878 1.00 0.00 N ATOM 443 CA TRP A 29 -1.495 -5.190 8.703 1.00 0.00 C ATOM 444 C TRP A 29 -1.916 -3.719 8.770 1.00 0.00 C ATOM 445 O TRP A 29 -1.860 -3.119 9.842 1.00 0.00 O ATOM 446 CB TRP A 29 -0.080 -5.350 8.140 1.00 0.00 C ATOM 447 CG TRP A 29 0.971 -4.454 8.709 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.629 -4.635 9.870 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.528 -3.245 8.128 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.589 -3.654 10.019 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.589 -2.781 8.956 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.254 -2.512 6.961 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.390 -1.688 8.604 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.054 -1.419 6.591 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.148 -1.039 7.383 1.00 0.00 C ATOM 0 H TRP A 29 -1.983 -6.360 7.047 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.514 -5.566 9.726 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.233 -6.383 8.293 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.121 -5.186 7.063 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.435 -5.428 10.577 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.220 -3.585 10.818 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.416 -2.793 6.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.179 -1.351 9.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.826 -0.867 5.691 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.804 -0.247 7.053 1.00 0.00 H new ATOM 466 N VAL A 30 -2.389 -3.140 7.660 1.00 0.00 N ATOM 467 CA VAL A 30 -2.924 -1.782 7.655 1.00 0.00 C ATOM 468 C VAL A 30 -4.093 -1.707 8.637 1.00 0.00 C ATOM 469 O VAL A 30 -4.090 -0.818 9.480 1.00 0.00 O ATOM 470 CB VAL A 30 -3.294 -1.338 6.226 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.089 -0.016 6.189 1.00 0.00 C ATOM 472 CG2 VAL A 30 -2.032 -1.203 5.354 1.00 0.00 C ATOM 0 H VAL A 30 -2.410 -3.599 6.749 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.164 -1.076 7.990 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.941 -2.118 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.319 0.242 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.017 -0.134 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.494 0.779 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.316 -0.889 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.365 -0.460 5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.521 -2.164 5.303 1.00 0.00 H new ATOM 482 N ALA A 31 -5.035 -2.653 8.606 1.00 0.00 N ATOM 483 CA ALA A 31 -6.171 -2.658 9.528 1.00 0.00 C ATOM 484 C ALA A 31 -5.758 -2.854 10.994 1.00 0.00 C ATOM 485 O ALA A 31 -6.588 -2.685 11.889 1.00 0.00 O ATOM 486 CB ALA A 31 -7.165 -3.741 9.112 1.00 0.00 C ATOM 0 H ALA A 31 -5.032 -3.431 7.946 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.637 -1.675 9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.010 -3.743 9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.520 -3.540 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.675 -4.714 9.137 1.00 0.00 H new ATOM 492 N ALA A 32 -4.494 -3.171 11.275 1.00 0.00 N ATOM 493 CA ALA A 32 -3.960 -3.282 12.620 1.00 0.00 C ATOM 494 C ALA A 32 -3.185 -2.033 13.008 1.00 0.00 C ATOM 495 O ALA A 32 -3.548 -1.398 13.989 1.00 0.00 O ATOM 496 CB ALA A 32 -3.101 -4.534 12.749 1.00 0.00 C ATOM 0 H ALA A 32 -3.801 -3.361 10.551 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.795 -3.372 13.315 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.708 -4.603 13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.707 -5.414 12.534 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.273 -4.482 12.042 1.00 0.00 H new ATOM 502 N THR A 33 -2.118 -1.670 12.291 1.00 0.00 N ATOM 503 CA THR A 33 -1.319 -0.508 12.677 1.00 0.00 C ATOM 504 C THR A 33 -2.110 0.789 12.443 1.00 0.00 C ATOM 505 O THR A 33 -2.036 1.711 13.260 1.00 0.00 O ATOM 506 CB THR A 33 -0.003 -0.470 11.889 1.00 0.00 C ATOM 507 OG1 THR A 33 0.683 -1.714 11.857 1.00 0.00 O ATOM 508 CG2 THR A 33 1.009 0.497 12.511 1.00 0.00 C ATOM 0 H THR A 33 -1.793 -2.155 11.455 1.00 0.00 H new ATOM 0 HA THR A 33 -1.087 -0.592 13.739 1.00 0.00 H new ATOM 0 HB THR A 33 -0.321 -0.171 10.890 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.125 -1.822 10.989 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.926 0.493 11.922 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.590 1.503 12.524 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.232 0.184 13.531 1.00 0.00 H new ATOM 516 N PHE A 34 -2.876 0.866 11.344 1.00 0.00 N ATOM 517 CA PHE A 34 -3.573 2.074 10.918 1.00 0.00 C ATOM 518 C PHE A 34 -5.081 1.744 10.783 1.00 0.00 C ATOM 519 O PHE A 34 -5.655 1.814 9.690 1.00 0.00 O ATOM 520 CB PHE A 34 -2.961 2.655 9.617 1.00 0.00 C ATOM 521 CG PHE A 34 -1.520 2.300 9.313 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.450 2.717 10.125 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.271 1.482 8.197 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.848 2.249 9.844 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.019 1.019 7.922 1.00 0.00 C ATOM 526 CZ PHE A 34 1.074 1.387 8.762 1.00 0.00 C ATOM 0 H PHE A 34 -3.026 0.073 10.720 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.455 2.859 11.665 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.574 2.326 8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.039 3.741 9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.622 3.388 10.954 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.086 1.208 7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.675 2.556 10.467 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.199 0.383 7.068 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.067 1.006 8.577 1.00 0.00 H new ATOM 536 N PRO A 35 -5.782 1.412 11.880 1.00 0.00 N ATOM 537 CA PRO A 35 -7.205 1.083 11.828 1.00 0.00 C ATOM 538 C PRO A 35 -8.064 2.316 11.500 1.00 0.00 C ATOM 539 O PRO A 35 -9.255 2.182 11.239 1.00 0.00 O ATOM 540 CB PRO A 35 -7.534 0.512 13.206 1.00 0.00 C ATOM 541 CG PRO A 35 -6.534 1.200 14.128 1.00 0.00 C ATOM 542 CD PRO A 35 -5.309 1.429 13.252 1.00 0.00 C ATOM 0 HA PRO A 35 -7.424 0.368 11.035 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.562 0.730 13.495 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.420 -0.572 13.228 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.929 2.140 14.513 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.295 0.578 14.991 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.834 2.381 13.488 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.563 0.652 13.416 1.00 0.00 H new ATOM 550 N ASN A 36 -7.472 3.516 11.518 1.00 0.00 N ATOM 551 CA ASN A 36 -8.135 4.776 11.208 1.00 0.00 C ATOM 552 C ASN A 36 -8.500 4.906 9.731 1.00 0.00 C ATOM 553 O ASN A 36 -9.446 5.620 9.402 1.00 0.00 O ATOM 554 CB ASN A 36 -7.230 5.947 11.620 1.00 0.00 C ATOM 555 CG ASN A 36 -7.824 6.673 12.812 1.00 0.00 C ATOM 556 OD1 ASN A 36 -8.882 7.283 12.702 1.00 0.00 O ATOM 557 ND2 ASN A 36 -7.187 6.614 13.968 1.00 0.00 N ATOM 0 H ASN A 36 -6.487 3.634 11.757 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.068 4.796 11.772 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.235 5.577 11.869 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.114 6.638 10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.574 7.081 14.788 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.308 6.102 14.040 1.00 0.00 H new ATOM 564 N LEU A 37 -7.750 4.270 8.823 1.00 0.00 N ATOM 565 CA LEU A 37 -8.136 4.187 7.436 1.00 0.00 C ATOM 566 C LEU A 37 -9.350 3.280 7.330 1.00 0.00 C ATOM 567 O LEU A 37 -9.435 2.266 8.026 1.00 0.00 O ATOM 568 CB LEU A 37 -7.002 3.562 6.624 1.00 0.00 C ATOM 569 CG LEU A 37 -5.783 4.467 6.427 1.00 0.00 C ATOM 570 CD1 LEU A 37 -6.126 5.751 5.676 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.042 4.635 7.721 1.00 0.00 C ATOM 0 H LEU A 37 -6.868 3.806 9.041 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.357 5.185 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.681 2.646 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.388 3.277 5.645 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.075 3.981 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.227 6.357 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.522 5.502 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.874 6.312 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.178 5.281 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.702 5.085 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.707 3.661 8.077 1.00 0.00 H new ATOM 583 N GLU A 38 -10.218 3.589 6.380 1.00 0.00 N ATOM 584 CA GLU A 38 -11.455 2.882 6.120 1.00 0.00 C ATOM 585 C GLU A 38 -11.437 2.459 4.646 1.00 0.00 C ATOM 586 O GLU A 38 -10.837 3.159 3.820 1.00 0.00 O ATOM 587 CB GLU A 38 -12.628 3.818 6.438 1.00 0.00 C ATOM 588 CG GLU A 38 -12.746 4.119 7.942 1.00 0.00 C ATOM 589 CD GLU A 38 -13.520 3.043 8.703 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.743 2.913 8.496 1.00 0.00 O ATOM 591 OE2 GLU A 38 -12.933 2.338 9.552 1.00 0.00 O ATOM 0 H GLU A 38 -10.071 4.373 5.744 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.564 1.993 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.502 4.753 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.556 3.366 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.747 4.212 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.241 5.081 8.078 1.00 0.00 H new ATOM 598 N PRO A 39 -12.053 1.319 4.303 1.00 0.00 N ATOM 599 CA PRO A 39 -11.962 0.735 2.972 1.00 0.00 C ATOM 600 C PRO A 39 -12.837 1.474 1.950 1.00 0.00 C ATOM 601 O PRO A 39 -13.908 1.984 2.287 1.00 0.00 O ATOM 602 CB PRO A 39 -12.420 -0.713 3.176 1.00 0.00 C ATOM 603 CG PRO A 39 -13.414 -0.619 4.333 1.00 0.00 C ATOM 604 CD PRO A 39 -12.752 0.428 5.218 1.00 0.00 C ATOM 0 HA PRO A 39 -10.955 0.803 2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.888 -1.115 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.583 -1.367 3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.404 -0.307 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.537 -1.572 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.492 0.970 5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.060 -0.033 5.923 1.00 0.00 H new ATOM 612 N GLN A 40 -12.411 1.505 0.681 1.00 0.00 N ATOM 613 CA GLN A 40 -13.163 2.025 -0.446 1.00 0.00 C ATOM 614 C GLN A 40 -12.490 1.498 -1.726 1.00 0.00 C ATOM 615 O GLN A 40 -11.641 2.185 -2.283 1.00 0.00 O ATOM 616 CB GLN A 40 -13.134 3.571 -0.361 1.00 0.00 C ATOM 617 CG GLN A 40 -13.904 4.241 -1.503 1.00 0.00 C ATOM 618 CD GLN A 40 -14.204 5.734 -1.287 1.00 0.00 C ATOM 619 OE1 GLN A 40 -15.127 6.285 -1.879 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.429 6.464 -0.494 1.00 0.00 N ATOM 0 H GLN A 40 -11.493 1.151 0.410 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.205 1.707 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.559 3.886 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.099 3.912 -0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.332 4.129 -2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.846 3.712 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.656 6.026 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.606 7.463 -0.386 1.00 0.00 H new ATOM 629 N MET A 41 -12.764 0.270 -2.184 1.00 0.00 N ATOM 630 CA MET A 41 -12.127 -0.219 -3.409 1.00 0.00 C ATOM 631 C MET A 41 -12.718 0.543 -4.604 1.00 0.00 C ATOM 632 O MET A 41 -13.938 0.740 -4.661 1.00 0.00 O ATOM 633 CB MET A 41 -12.208 -1.751 -3.487 1.00 0.00 C ATOM 634 CG MET A 41 -13.376 -2.350 -4.280 1.00 0.00 C ATOM 635 SD MET A 41 -13.170 -2.425 -6.090 1.00 0.00 S ATOM 636 CE MET A 41 -11.682 -3.454 -6.168 1.00 0.00 C ATOM 0 H MET A 41 -13.405 -0.386 -1.738 1.00 0.00 H new ATOM 0 HA MET A 41 -11.057 -0.014 -3.418 1.00 0.00 H new ATOM 0 HB2 MET A 41 -11.279 -2.117 -3.925 1.00 0.00 H new ATOM 0 HB3 MET A 41 -12.256 -2.139 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 41 -13.555 -3.361 -3.914 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.272 -1.769 -4.061 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.638 -3.957 -7.134 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.799 -2.827 -6.045 1.00 0.00 H new ATOM 0 HE3 MET A 41 -11.712 -4.198 -5.372 1.00 0.00 H new ATOM 646 N LYS A 42 -11.862 1.009 -5.523 1.00 0.00 N ATOM 647 CA LYS A 42 -12.226 1.918 -6.613 1.00 0.00 C ATOM 648 C LYS A 42 -11.254 1.766 -7.776 1.00 0.00 C ATOM 649 O LYS A 42 -10.104 1.395 -7.539 1.00 0.00 O ATOM 650 CB LYS A 42 -12.179 3.362 -6.081 1.00 0.00 C ATOM 651 CG LYS A 42 -13.451 4.107 -6.466 1.00 0.00 C ATOM 652 CD LYS A 42 -13.297 5.607 -6.257 1.00 0.00 C ATOM 653 CE LYS A 42 -14.656 6.268 -6.472 1.00 0.00 C ATOM 654 NZ LYS A 42 -14.517 7.716 -6.676 1.00 0.00 N ATOM 0 H LYS A 42 -10.874 0.757 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.228 1.680 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.068 3.354 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.309 3.879 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.691 3.906 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.286 3.738 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.930 5.814 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.564 6.013 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.147 5.822 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.295 6.079 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.457 8.138 -6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.070 8.143 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.926 7.893 -7.513 1.00 0.00 H new ATOM 668 N TRP A 43 -11.680 2.051 -9.013 1.00 0.00 N ATOM 669 CA TRP A 43 -10.927 1.797 -10.249 1.00 0.00 C ATOM 670 C TRP A 43 -10.343 0.374 -10.309 1.00 0.00 C ATOM 671 O TRP A 43 -9.305 0.135 -10.931 1.00 0.00 O ATOM 672 CB TRP A 43 -9.870 2.887 -10.458 1.00 0.00 C ATOM 673 CG TRP A 43 -10.303 4.145 -11.146 1.00 0.00 C ATOM 674 CD1 TRP A 43 -11.232 5.028 -10.719 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.781 4.690 -12.392 1.00 0.00 C ATOM 676 NE1 TRP A 43 -11.273 6.103 -11.588 1.00 0.00 N ATOM 677 CE2 TRP A 43 -10.354 5.975 -12.606 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.856 4.230 -13.354 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -9.964 6.798 -13.674 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -8.465 5.042 -14.435 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.995 6.336 -14.582 1.00 0.00 C ATOM 0 H TRP A 43 -12.589 2.479 -9.187 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.625 1.848 -11.084 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.469 3.158 -9.482 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.050 2.455 -11.031 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.846 4.913 -9.838 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.907 6.895 -11.487 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.441 3.237 -13.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.404 7.777 -13.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.753 4.669 -15.156 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.660 6.972 -15.388 1.00 0.00 H new ATOM 692 N ASN A 44 -11.009 -0.580 -9.655 1.00 0.00 N ATOM 693 CA ASN A 44 -10.599 -1.971 -9.498 1.00 0.00 C ATOM 694 C ASN A 44 -9.349 -2.119 -8.621 1.00 0.00 C ATOM 695 O ASN A 44 -8.622 -3.104 -8.742 1.00 0.00 O ATOM 696 CB ASN A 44 -10.378 -2.622 -10.868 1.00 0.00 C ATOM 697 CG ASN A 44 -10.744 -4.096 -10.912 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.134 -4.725 -9.928 1.00 0.00 O ATOM 699 ND2 ASN A 44 -10.696 -4.667 -12.101 1.00 0.00 N ATOM 0 H ASN A 44 -11.899 -0.388 -9.196 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.409 -2.488 -8.984 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.968 -2.088 -11.613 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.331 -2.508 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.984 -5.639 -12.212 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.371 -4.136 -12.909 1.00 0.00 H new ATOM 706 N THR A 45 -9.070 -1.169 -7.730 1.00 0.00 N ATOM 707 CA THR A 45 -7.890 -1.139 -6.866 1.00 0.00 C ATOM 708 C THR A 45 -8.337 -1.030 -5.402 1.00 0.00 C ATOM 709 O THR A 45 -9.312 -0.326 -5.111 1.00 0.00 O ATOM 710 CB THR A 45 -6.962 0.032 -7.273 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.490 1.306 -6.934 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.695 0.086 -8.782 1.00 0.00 C ATOM 0 H THR A 45 -9.684 -0.367 -7.584 1.00 0.00 H new ATOM 0 HA THR A 45 -7.320 -2.061 -6.981 1.00 0.00 H new ATOM 0 HB THR A 45 -6.046 -0.170 -6.718 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.466 1.248 -6.866 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.039 0.927 -9.006 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.218 -0.841 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.638 0.210 -9.314 1.00 0.00 H new ATOM 720 N PRO A 46 -7.640 -1.690 -4.468 1.00 0.00 N ATOM 721 CA PRO A 46 -7.766 -1.414 -3.055 1.00 0.00 C ATOM 722 C PRO A 46 -7.085 -0.075 -2.747 1.00 0.00 C ATOM 723 O PRO A 46 -5.903 0.144 -3.038 1.00 0.00 O ATOM 724 CB PRO A 46 -7.101 -2.602 -2.361 1.00 0.00 C ATOM 725 CG PRO A 46 -6.021 -3.024 -3.342 1.00 0.00 C ATOM 726 CD PRO A 46 -6.645 -2.723 -4.689 1.00 0.00 C ATOM 0 HA PRO A 46 -8.795 -1.313 -2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.679 -2.319 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.811 -3.407 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.098 -2.464 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.773 -4.081 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.889 -2.386 -5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.103 -3.617 -5.111 1.00 0.00 H new ATOM 734 N MET A 47 -7.840 0.830 -2.139 1.00 0.00 N ATOM 735 CA MET A 47 -7.335 2.046 -1.523 1.00 0.00 C ATOM 736 C MET A 47 -8.060 2.204 -0.194 1.00 0.00 C ATOM 737 O MET A 47 -9.102 1.565 0.022 1.00 0.00 O ATOM 738 CB MET A 47 -7.512 3.265 -2.451 1.00 0.00 C ATOM 739 CG MET A 47 -8.956 3.444 -2.920 1.00 0.00 C ATOM 740 SD MET A 47 -9.417 5.092 -3.513 1.00 0.00 S ATOM 741 CE MET A 47 -9.883 5.835 -1.921 1.00 0.00 C ATOM 0 H MET A 47 -8.852 0.733 -2.059 1.00 0.00 H new ATOM 0 HA MET A 47 -6.261 1.980 -1.349 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.190 4.165 -1.927 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.863 3.153 -3.320 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.146 2.729 -3.720 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.617 3.182 -2.094 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.925 6.919 -2.024 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.861 5.461 -1.617 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.143 5.571 -1.166 1.00 0.00 H new ATOM 751 N PHE A 48 -7.519 3.048 0.684 1.00 0.00 N ATOM 752 CA PHE A 48 -8.154 3.371 1.951 1.00 0.00 C ATOM 753 C PHE A 48 -8.248 4.882 2.055 1.00 0.00 C ATOM 754 O PHE A 48 -7.467 5.625 1.450 1.00 0.00 O ATOM 755 CB PHE A 48 -7.433 2.770 3.179 1.00 0.00 C ATOM 756 CG PHE A 48 -6.610 1.517 2.972 1.00 0.00 C ATOM 757 CD1 PHE A 48 -7.183 0.402 2.344 1.00 0.00 C ATOM 758 CD2 PHE A 48 -5.268 1.468 3.391 1.00 0.00 C ATOM 759 CE1 PHE A 48 -6.398 -0.711 2.007 1.00 0.00 C ATOM 760 CE2 PHE A 48 -4.463 0.378 3.005 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.027 -0.706 2.312 1.00 0.00 C ATOM 0 H PHE A 48 -6.630 3.524 0.533 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.145 2.918 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.777 3.537 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.186 2.554 3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.239 0.400 2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.859 2.258 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.844 -1.564 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.409 0.376 3.243 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.405 -1.537 2.013 1.00 0.00 H new ATOM 771 N SER A 49 -9.156 5.332 2.900 1.00 0.00 N ATOM 772 CA SER A 49 -9.529 6.717 3.072 1.00 0.00 C ATOM 773 C SER A 49 -9.421 6.979 4.563 1.00 0.00 C ATOM 774 O SER A 49 -9.995 6.220 5.342 1.00 0.00 O ATOM 775 CB SER A 49 -10.941 6.903 2.513 1.00 0.00 C ATOM 776 OG SER A 49 -10.927 6.765 1.100 1.00 0.00 O ATOM 0 H SER A 49 -9.678 4.707 3.515 1.00 0.00 H new ATOM 0 HA SER A 49 -8.895 7.427 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.614 6.167 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.322 7.887 2.787 1.00 0.00 H new ATOM 0 HG SER A 49 -10.216 7.324 0.724 1.00 0.00 H new ATOM 782 N ASN A 50 -8.646 7.977 5.001 1.00 0.00 N ATOM 783 CA ASN A 50 -8.665 8.362 6.411 1.00 0.00 C ATOM 784 C ASN A 50 -9.961 9.119 6.627 1.00 0.00 C ATOM 785 O ASN A 50 -10.034 10.331 6.458 1.00 0.00 O ATOM 786 CB ASN A 50 -7.440 9.165 6.855 1.00 0.00 C ATOM 787 CG ASN A 50 -7.578 9.471 8.337 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.307 8.615 9.172 1.00 0.00 O ATOM 789 ND2 ASN A 50 -8.057 10.643 8.698 1.00 0.00 N ATOM 0 H ASN A 50 -8.013 8.520 4.414 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.617 7.470 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.527 8.599 6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.365 10.089 6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.208 10.850 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.277 11.344 7.990 1.00 0.00 H new ATOM 796 N GLN A 51 -11.023 8.360 6.867 1.00 0.00 N ATOM 797 CA GLN A 51 -12.393 8.808 7.039 1.00 0.00 C ATOM 798 C GLN A 51 -13.025 9.464 5.789 1.00 0.00 C ATOM 799 O GLN A 51 -14.253 9.543 5.717 1.00 0.00 O ATOM 800 CB GLN A 51 -12.510 9.588 8.363 1.00 0.00 C ATOM 801 CG GLN A 51 -11.820 8.825 9.514 1.00 0.00 C ATOM 802 CD GLN A 51 -12.357 9.221 10.878 1.00 0.00 C ATOM 803 OE1 GLN A 51 -12.063 10.294 11.396 1.00 0.00 O ATOM 804 NE2 GLN A 51 -13.163 8.371 11.491 1.00 0.00 N ATOM 0 H GLN A 51 -10.941 7.347 6.952 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.038 7.935 7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.057 10.573 8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.561 9.747 8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.958 7.753 9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.747 9.015 9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.399 7.483 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.549 8.604 12.406 1.00 0.00 H new ATOM 813 N GLY A 52 -12.236 9.783 4.756 1.00 0.00 N ATOM 814 CA GLY A 52 -12.705 10.179 3.426 1.00 0.00 C ATOM 815 C GLY A 52 -11.617 10.379 2.358 1.00 0.00 C ATOM 816 O GLY A 52 -11.932 10.500 1.174 1.00 0.00 O ATOM 0 H GLY A 52 -11.219 9.772 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.402 9.421 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.266 11.108 3.523 1.00 0.00 H new ATOM 820 N THR A 53 -10.337 10.383 2.726 1.00 0.00 N ATOM 821 CA THR A 53 -9.229 10.888 1.905 1.00 0.00 C ATOM 822 C THR A 53 -8.686 9.868 0.883 1.00 0.00 C ATOM 823 O THR A 53 -9.353 8.875 0.561 1.00 0.00 O ATOM 824 CB THR A 53 -8.126 11.439 2.835 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.325 11.027 4.171 1.00 0.00 O ATOM 826 CG2 THR A 53 -8.055 12.957 2.709 1.00 0.00 C ATOM 0 H THR A 53 -10.029 10.025 3.630 1.00 0.00 H new ATOM 0 HA THR A 53 -9.617 11.695 1.284 1.00 0.00 H new ATOM 0 HB THR A 53 -7.166 11.027 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.830 11.621 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.275 13.341 3.367 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.825 13.226 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.014 13.391 2.992 1.00 0.00 H new ATOM 834 N PHE A 54 -7.519 10.142 0.285 1.00 0.00 N ATOM 835 CA PHE A 54 -6.826 9.288 -0.676 1.00 0.00 C ATOM 836 C PHE A 54 -5.372 9.030 -0.232 1.00 0.00 C ATOM 837 O PHE A 54 -4.491 8.771 -1.040 1.00 0.00 O ATOM 838 CB PHE A 54 -6.934 9.919 -2.077 1.00 0.00 C ATOM 839 CG PHE A 54 -6.366 9.062 -3.196 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.019 7.875 -3.574 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.148 9.414 -3.811 1.00 0.00 C ATOM 842 CE1 PHE A 54 -6.442 7.031 -4.537 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.579 8.575 -4.783 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.220 7.377 -5.136 1.00 0.00 C ATOM 0 H PHE A 54 -7.012 11.008 0.470 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.299 8.307 -0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.983 10.125 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.416 10.878 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.965 7.612 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.651 10.332 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.939 6.114 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.649 8.851 -5.258 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.773 6.721 -5.869 1.00 0.00 H new ATOM 854 N ILE A 55 -5.089 9.093 1.068 1.00 0.00 N ATOM 855 CA ILE A 55 -3.738 9.055 1.628 1.00 0.00 C ATOM 856 C ILE A 55 -3.049 7.685 1.429 1.00 0.00 C ATOM 857 O ILE A 55 -1.898 7.536 1.833 1.00 0.00 O ATOM 858 CB ILE A 55 -3.763 9.599 3.094 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.260 11.069 3.088 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.390 9.553 3.798 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.651 11.619 4.465 1.00 0.00 C ATOM 0 H ILE A 55 -5.813 9.174 1.781 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.089 9.728 1.068 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.434 8.945 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.477 11.701 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.121 11.144 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.487 9.946 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.038 8.522 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.675 10.158 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.985 12.651 4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.457 11.016 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.788 11.581 5.130 1.00 0.00 H new ATOM 873 N ILE A 56 -3.680 6.656 0.838 1.00 0.00 N ATOM 874 CA ILE A 56 -3.017 5.423 0.447 1.00 0.00 C ATOM 875 C ILE A 56 -3.834 4.641 -0.593 1.00 0.00 C ATOM 876 O ILE A 56 -5.051 4.493 -0.457 1.00 0.00 O ATOM 877 CB ILE A 56 -2.764 4.600 1.725 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.175 3.229 1.353 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.010 4.501 2.641 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.534 2.571 2.560 1.00 0.00 C ATOM 0 H ILE A 56 -4.676 6.668 0.620 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.067 5.648 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.028 5.130 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.961 2.586 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.434 3.349 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.767 3.909 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.316 5.501 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.825 4.023 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.125 1.603 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.733 3.206 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.284 2.431 3.339 1.00 0.00 H new ATOM 892 N GLY A 57 -3.150 4.010 -1.554 1.00 0.00 N ATOM 893 CA GLY A 57 -3.700 2.934 -2.375 1.00 0.00 C ATOM 894 C GLY A 57 -2.588 2.123 -3.035 1.00 0.00 C ATOM 895 O GLY A 57 -1.462 2.614 -3.176 1.00 0.00 O ATOM 0 H GLY A 57 -2.183 4.239 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.315 2.279 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.352 3.354 -3.141 1.00 0.00 H new ATOM 899 N PHE A 58 -2.863 0.877 -3.431 1.00 0.00 N ATOM 900 CA PHE A 58 -1.909 0.022 -4.143 1.00 0.00 C ATOM 901 C PHE A 58 -2.672 -0.888 -5.111 1.00 0.00 C ATOM 902 O PHE A 58 -3.727 -1.399 -4.759 1.00 0.00 O ATOM 903 CB PHE A 58 -1.011 -0.773 -3.164 1.00 0.00 C ATOM 904 CG PHE A 58 -1.652 -1.460 -1.965 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.281 -2.709 -2.100 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.513 -0.909 -0.678 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.808 -3.378 -0.979 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.036 -1.570 0.447 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.688 -2.807 0.299 1.00 0.00 C ATOM 0 H PHE A 58 -3.764 0.429 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.230 0.647 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.491 -1.537 -3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.252 -0.089 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.361 -3.162 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.999 0.032 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.304 -4.329 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.937 -1.127 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.094 -3.315 1.162 1.00 0.00 H new ATOM 919 N SER A 59 -2.150 -1.146 -6.309 1.00 0.00 N ATOM 920 CA SER A 59 -2.831 -1.938 -7.344 1.00 0.00 C ATOM 921 C SER A 59 -1.831 -2.929 -7.929 1.00 0.00 C ATOM 922 O SER A 59 -0.829 -2.480 -8.495 1.00 0.00 O ATOM 923 CB SER A 59 -3.418 -1.035 -8.440 1.00 0.00 C ATOM 924 OG SER A 59 -3.507 0.326 -8.045 1.00 0.00 O ATOM 0 H SER A 59 -1.231 -0.809 -6.596 1.00 0.00 H new ATOM 0 HA SER A 59 -3.667 -2.478 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.800 -1.109 -9.335 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.411 -1.396 -8.708 1.00 0.00 H new ATOM 0 HG SER A 59 -3.884 0.855 -8.778 1.00 0.00 H new ATOM 930 N THR A 60 -2.023 -4.237 -7.740 1.00 0.00 N ATOM 931 CA THR A 60 -1.007 -5.242 -8.049 1.00 0.00 C ATOM 932 C THR A 60 -0.542 -5.110 -9.505 1.00 0.00 C ATOM 933 O THR A 60 -1.369 -4.953 -10.412 1.00 0.00 O ATOM 934 CB THR A 60 -1.533 -6.661 -7.747 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.669 -6.958 -8.531 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.918 -6.850 -6.278 1.00 0.00 C ATOM 0 H THR A 60 -2.889 -4.628 -7.368 1.00 0.00 H new ATOM 0 HA THR A 60 -0.142 -5.069 -7.409 1.00 0.00 H new ATOM 0 HB THR A 60 -0.710 -7.335 -7.987 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.387 -6.325 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.281 -7.866 -6.125 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.045 -6.677 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.702 -6.141 -6.013 1.00 0.00 H new ATOM 944 N SER A 61 0.767 -5.159 -9.754 1.00 0.00 N ATOM 945 CA SER A 61 1.317 -5.179 -11.099 1.00 0.00 C ATOM 946 C SER A 61 1.962 -6.538 -11.341 1.00 0.00 C ATOM 947 O SER A 61 2.272 -7.287 -10.411 1.00 0.00 O ATOM 948 CB SER A 61 2.323 -4.037 -11.276 1.00 0.00 C ATOM 949 OG SER A 61 2.485 -3.714 -12.644 1.00 0.00 O ATOM 0 H SER A 61 1.475 -5.186 -9.020 1.00 0.00 H new ATOM 0 HA SER A 61 0.526 -5.029 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.982 -3.158 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.284 -4.324 -10.850 1.00 0.00 H new ATOM 0 HG SER A 61 3.002 -2.885 -12.725 1.00 0.00 H new ATOM 955 N LYS A 62 2.208 -6.825 -12.617 1.00 0.00 N ATOM 956 CA LYS A 62 2.531 -8.146 -13.145 1.00 0.00 C ATOM 957 C LYS A 62 3.723 -8.815 -12.451 1.00 0.00 C ATOM 958 O LYS A 62 3.763 -10.037 -12.401 1.00 0.00 O ATOM 959 CB LYS A 62 2.721 -7.992 -14.666 1.00 0.00 C ATOM 960 CG LYS A 62 2.374 -9.242 -15.485 1.00 0.00 C ATOM 961 CD LYS A 62 1.695 -8.893 -16.819 1.00 0.00 C ATOM 962 CE LYS A 62 2.559 -8.072 -17.783 1.00 0.00 C ATOM 963 NZ LYS A 62 3.470 -8.902 -18.596 1.00 0.00 N ATOM 0 H LYS A 62 2.186 -6.109 -13.343 1.00 0.00 H new ATOM 0 HA LYS A 62 1.711 -8.833 -12.937 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.104 -7.164 -15.014 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.758 -7.721 -14.863 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.283 -9.810 -15.680 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.715 -9.885 -14.901 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.401 -9.818 -17.314 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.780 -8.339 -16.611 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.910 -7.500 -18.446 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.145 -7.352 -17.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.027 -8.291 -19.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.112 -9.429 -17.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.914 -9.572 -19.165 1.00 0.00 H new ATOM 977 N HIS A 63 4.663 -8.046 -11.890 1.00 0.00 N ATOM 978 CA HIS A 63 5.834 -8.566 -11.178 1.00 0.00 C ATOM 979 C HIS A 63 6.151 -7.800 -9.885 1.00 0.00 C ATOM 980 O HIS A 63 7.134 -8.123 -9.217 1.00 0.00 O ATOM 981 CB HIS A 63 7.045 -8.546 -12.121 1.00 0.00 C ATOM 982 CG HIS A 63 6.971 -9.596 -13.195 1.00 0.00 C ATOM 983 ND1 HIS A 63 7.451 -10.881 -13.099 1.00 0.00 N ATOM 984 CD2 HIS A 63 6.447 -9.439 -14.447 1.00 0.00 C ATOM 985 CE1 HIS A 63 7.215 -11.495 -14.268 1.00 0.00 C ATOM 986 NE2 HIS A 63 6.635 -10.642 -15.136 1.00 0.00 N ATOM 0 H HIS A 63 4.630 -7.027 -11.919 1.00 0.00 H new ATOM 0 HA HIS A 63 5.603 -9.587 -10.874 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.120 -7.563 -12.586 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.954 -8.693 -11.539 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.974 -8.549 -14.834 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.455 -12.526 -14.483 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.383 -10.836 -16.105 1.00 0.00 H new ATOM 994 N HIS A 64 5.374 -6.775 -9.523 1.00 0.00 N ATOM 995 CA HIS A 64 5.703 -5.872 -8.427 1.00 0.00 C ATOM 996 C HIS A 64 4.426 -5.277 -7.834 1.00 0.00 C ATOM 997 O HIS A 64 3.399 -5.187 -8.509 1.00 0.00 O ATOM 998 CB HIS A 64 6.660 -4.768 -8.941 1.00 0.00 C ATOM 999 CG HIS A 64 6.139 -4.016 -10.137 1.00 0.00 C ATOM 1000 ND1 HIS A 64 6.273 -4.385 -11.458 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.493 -2.812 -10.104 1.00 0.00 C ATOM 1002 CE1 HIS A 64 5.688 -3.437 -12.208 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.238 -2.441 -11.427 1.00 0.00 N ATOM 0 H HIS A 64 4.494 -6.551 -9.988 1.00 0.00 H new ATOM 0 HA HIS A 64 6.209 -6.422 -7.633 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.849 -4.061 -8.134 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.617 -5.222 -9.198 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.229 -2.251 -9.220 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.593 -3.471 -13.283 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.794 -1.578 -11.740 1.00 0.00 H new ATOM 1011 N LEU A 65 4.508 -4.808 -6.591 1.00 0.00 N ATOM 1012 CA LEU A 65 3.451 -4.072 -5.909 1.00 0.00 C ATOM 1013 C LEU A 65 3.871 -2.605 -5.900 1.00 0.00 C ATOM 1014 O LEU A 65 4.887 -2.287 -5.287 1.00 0.00 O ATOM 1015 CB LEU A 65 3.284 -4.612 -4.477 1.00 0.00 C ATOM 1016 CG LEU A 65 2.058 -3.999 -3.768 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.758 -4.736 -4.108 1.00 0.00 C ATOM 1018 CD2 LEU A 65 2.233 -4.061 -2.259 1.00 0.00 C ATOM 0 H LEU A 65 5.339 -4.935 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 65 2.491 -4.186 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.180 -5.697 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.183 -4.394 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 65 1.989 -2.969 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.074 -4.266 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.583 -4.689 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.839 -5.778 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.360 -3.625 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.340 -5.100 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.124 -3.503 -1.973 1.00 0.00 H new ATOM 1030 N SER A 66 3.162 -1.726 -6.611 1.00 0.00 N ATOM 1031 CA SER A 66 3.296 -0.278 -6.465 1.00 0.00 C ATOM 1032 C SER A 66 2.697 0.137 -5.128 1.00 0.00 C ATOM 1033 O SER A 66 1.544 -0.202 -4.846 1.00 0.00 O ATOM 1034 CB SER A 66 2.563 0.512 -7.562 1.00 0.00 C ATOM 1035 OG SER A 66 1.411 -0.139 -8.076 1.00 0.00 O ATOM 0 H SER A 66 2.473 -2.003 -7.310 1.00 0.00 H new ATOM 0 HA SER A 66 4.360 -0.052 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.270 1.482 -7.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.256 0.702 -8.382 1.00 0.00 H new ATOM 0 HG SER A 66 0.999 0.422 -8.766 1.00 0.00 H new ATOM 1041 N VAL A 67 3.421 0.931 -4.353 1.00 0.00 N ATOM 1042 CA VAL A 67 3.006 1.450 -3.065 1.00 0.00 C ATOM 1043 C VAL A 67 3.380 2.933 -3.044 1.00 0.00 C ATOM 1044 O VAL A 67 4.453 3.309 -3.529 1.00 0.00 O ATOM 1045 CB VAL A 67 3.706 0.638 -1.956 1.00 0.00 C ATOM 1046 CG1 VAL A 67 3.325 1.119 -0.557 1.00 0.00 C ATOM 1047 CG2 VAL A 67 3.353 -0.855 -2.021 1.00 0.00 C ATOM 0 H VAL A 67 4.355 1.243 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 67 1.933 1.357 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 67 4.771 0.788 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.843 0.516 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.611 2.164 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.248 1.020 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.869 -1.386 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.277 -0.980 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.663 -1.260 -2.984 1.00 0.00 H new ATOM 1057 N SER A 68 2.491 3.772 -2.515 1.00 0.00 N ATOM 1058 CA SER A 68 2.785 5.119 -2.044 1.00 0.00 C ATOM 1059 C SER A 68 1.570 5.601 -1.248 1.00 0.00 C ATOM 1060 O SER A 68 0.462 5.132 -1.532 1.00 0.00 O ATOM 1061 CB SER A 68 3.003 6.059 -3.234 1.00 0.00 C ATOM 1062 OG SER A 68 3.899 7.096 -2.892 1.00 0.00 O ATOM 0 H SER A 68 1.509 3.520 -2.400 1.00 0.00 H new ATOM 0 HA SER A 68 3.687 5.115 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.396 5.497 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.050 6.484 -3.548 1.00 0.00 H new ATOM 0 HG SER A 68 4.027 7.685 -3.664 1.00 0.00 H new ATOM 1068 N PRO A 69 1.724 6.517 -0.277 1.00 0.00 N ATOM 1069 CA PRO A 69 0.568 7.166 0.308 1.00 0.00 C ATOM 1070 C PRO A 69 -0.059 8.154 -0.684 1.00 0.00 C ATOM 1071 O PRO A 69 -1.176 7.930 -1.130 1.00 0.00 O ATOM 1072 CB PRO A 69 1.085 7.859 1.579 1.00 0.00 C ATOM 1073 CG PRO A 69 2.586 8.018 1.337 1.00 0.00 C ATOM 1074 CD PRO A 69 2.918 6.784 0.500 1.00 0.00 C ATOM 0 HA PRO A 69 -0.225 6.459 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.602 8.824 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.886 7.260 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.816 8.942 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.148 8.038 2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.776 6.967 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.173 5.935 1.135 1.00 0.00 H new ATOM 1082 N GLU A 70 0.706 9.140 -1.171 1.00 0.00 N ATOM 1083 CA GLU A 70 0.224 10.166 -2.097 1.00 0.00 C ATOM 1084 C GLU A 70 1.388 10.509 -3.019 1.00 0.00 C ATOM 1085 O GLU A 70 1.484 9.969 -4.122 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.324 11.417 -1.366 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.561 11.104 -0.519 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.452 12.319 -0.274 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -2.182 13.137 0.631 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.479 12.432 -0.989 1.00 0.00 O ATOM 0 H GLU A 70 1.691 9.246 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.623 9.786 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.455 11.831 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.574 12.183 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.145 10.329 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.242 10.698 0.441 1.00 0.00 H new ATOM 1097 N GLU A 71 2.308 11.342 -2.532 1.00 0.00 N ATOM 1098 CA GLU A 71 3.500 11.799 -3.247 1.00 0.00 C ATOM 1099 C GLU A 71 4.724 11.848 -2.329 1.00 0.00 C ATOM 1100 O GLU A 71 5.807 11.447 -2.748 1.00 0.00 O ATOM 1101 CB GLU A 71 3.224 13.148 -3.939 1.00 0.00 C ATOM 1102 CG GLU A 71 2.963 14.296 -2.943 1.00 0.00 C ATOM 1103 CD GLU A 71 2.505 15.612 -3.583 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.594 15.781 -4.818 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.073 16.504 -2.808 1.00 0.00 O ATOM 0 H GLU A 71 2.241 11.732 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 71 3.737 11.074 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.075 13.408 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.361 13.042 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.206 13.973 -2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.876 14.482 -2.377 1.00 0.00 H new ATOM 1112 N ILE A 72 4.566 12.261 -1.062 1.00 0.00 N ATOM 1113 CA ILE A 72 5.692 12.618 -0.202 1.00 0.00 C ATOM 1114 C ILE A 72 6.635 11.441 0.042 1.00 0.00 C ATOM 1115 O ILE A 72 7.834 11.636 0.225 1.00 0.00 O ATOM 1116 CB ILE A 72 5.150 13.216 1.111 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.199 14.160 1.742 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.540 12.151 2.056 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.392 14.118 3.249 1.00 0.00 C ATOM 0 H ILE A 72 3.656 12.355 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 72 6.297 13.369 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 72 4.289 13.845 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.161 13.945 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.934 15.181 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.176 12.635 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.712 11.651 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.302 11.417 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.160 14.836 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.454 14.372 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.701 13.116 3.549 1.00 0.00 H new ATOM 1131 N GLY A 73 6.108 10.216 -0.013 1.00 0.00 N ATOM 1132 CA GLY A 73 6.888 8.994 0.033 1.00 0.00 C ATOM 1133 C GLY A 73 8.085 9.069 -0.910 1.00 0.00 C ATOM 1134 O GLY A 73 9.188 8.686 -0.545 1.00 0.00 O ATOM 0 H GLY A 73 5.105 10.051 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.234 8.818 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.259 8.147 -0.240 1.00 0.00 H new ATOM 1138 N ILE A 74 7.882 9.582 -2.120 1.00 0.00 N ATOM 1139 CA ILE A 74 8.867 9.499 -3.187 1.00 0.00 C ATOM 1140 C ILE A 74 9.775 10.726 -3.164 1.00 0.00 C ATOM 1141 O ILE A 74 10.807 10.711 -3.834 1.00 0.00 O ATOM 1142 CB ILE A 74 8.151 9.279 -4.544 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.967 8.295 -4.416 1.00 0.00 C ATOM 1144 CG2 ILE A 74 9.113 8.763 -5.633 1.00 0.00 C ATOM 1145 CD1 ILE A 74 7.318 6.939 -3.782 1.00 0.00 C ATOM 0 H ILE A 74 7.026 10.068 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 74 9.519 8.638 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 74 7.774 10.258 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.185 8.766 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.551 8.119 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.566 8.624 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.912 9.488 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.542 7.811 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.424 6.317 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.076 6.440 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.704 7.097 -2.775 1.00 0.00 H new ATOM 1157 N SER A 75 9.444 11.766 -2.394 1.00 0.00 N ATOM 1158 CA SER A 75 10.227 12.992 -2.360 1.00 0.00 C ATOM 1159 C SER A 75 10.990 13.104 -1.036 1.00 0.00 C ATOM 1160 O SER A 75 12.221 13.174 -1.033 1.00 0.00 O ATOM 1161 CB SER A 75 9.284 14.162 -2.640 1.00 0.00 C ATOM 1162 OG SER A 75 8.641 13.934 -3.885 1.00 0.00 O ATOM 0 H SER A 75 8.629 11.777 -1.781 1.00 0.00 H new ATOM 0 HA SER A 75 10.997 12.997 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.546 14.252 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.840 15.099 -2.667 1.00 0.00 H new ATOM 0 HG SER A 75 8.031 14.676 -4.079 1.00 0.00 H new ATOM 1168 N GLN A 76 10.276 13.071 0.087 1.00 0.00 N ATOM 1169 CA GLN A 76 10.787 13.183 1.439 1.00 0.00 C ATOM 1170 C GLN A 76 11.412 11.844 1.802 1.00 0.00 C ATOM 1171 O GLN A 76 12.622 11.760 2.019 1.00 0.00 O ATOM 1172 CB GLN A 76 9.606 13.583 2.340 1.00 0.00 C ATOM 1173 CG GLN A 76 9.748 13.335 3.840 1.00 0.00 C ATOM 1174 CD GLN A 76 9.137 14.366 4.779 1.00 0.00 C ATOM 1175 OE1 GLN A 76 8.447 14.001 5.723 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.408 15.643 4.586 1.00 0.00 N ATOM 0 H GLN A 76 9.262 12.958 0.069 1.00 0.00 H new ATOM 0 HA GLN A 76 11.560 13.943 1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.415 14.646 2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.722 13.048 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.301 12.367 4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.811 13.257 4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.984 15.928 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.041 16.345 5.229 1.00 0.00 H new ATOM 1185 N PHE A 77 10.601 10.783 1.794 1.00 0.00 N ATOM 1186 CA PHE A 77 11.042 9.461 2.216 1.00 0.00 C ATOM 1187 C PHE A 77 11.887 8.750 1.149 1.00 0.00 C ATOM 1188 O PHE A 77 12.264 7.598 1.351 1.00 0.00 O ATOM 1189 CB PHE A 77 9.867 8.602 2.700 1.00 0.00 C ATOM 1190 CG PHE A 77 9.029 9.204 3.814 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.002 10.118 3.513 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.237 8.812 5.151 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.206 10.643 4.543 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.424 9.319 6.181 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.422 10.257 5.869 1.00 0.00 C ATOM 0 H PHE A 77 9.626 10.821 1.496 1.00 0.00 H new ATOM 0 HA PHE A 77 11.704 9.608 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.216 8.397 1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.257 7.643 3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.826 10.415 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 77 10.028 8.116 5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.423 11.349 4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.567 8.992 7.200 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.817 10.680 6.658 1.00 0.00 H new ATOM 1205 N ALA A 78 12.226 9.429 0.044 1.00 0.00 N ATOM 1206 CA ALA A 78 13.012 8.913 -1.070 1.00 0.00 C ATOM 1207 C ALA A 78 14.239 8.145 -0.589 1.00 0.00 C ATOM 1208 O ALA A 78 14.498 7.032 -1.042 1.00 0.00 O ATOM 1209 CB ALA A 78 13.470 10.085 -1.945 1.00 0.00 C ATOM 0 H ALA A 78 11.943 10.399 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 78 12.383 8.227 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.059 9.707 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.598 10.617 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.079 10.766 -1.351 1.00 0.00 H new ATOM 1215 N ASP A 79 14.986 8.749 0.331 1.00 0.00 N ATOM 1216 CA ASP A 79 16.286 8.264 0.775 1.00 0.00 C ATOM 1217 C ASP A 79 16.088 7.043 1.651 1.00 0.00 C ATOM 1218 O ASP A 79 16.813 6.058 1.558 1.00 0.00 O ATOM 1219 CB ASP A 79 17.010 9.354 1.569 1.00 0.00 C ATOM 1220 CG ASP A 79 17.287 10.569 0.698 1.00 0.00 C ATOM 1221 OD1 ASP A 79 18.346 10.569 0.029 1.00 0.00 O ATOM 1222 OD2 ASP A 79 16.450 11.503 0.699 1.00 0.00 O ATOM 0 H ASP A 79 14.696 9.608 0.798 1.00 0.00 H new ATOM 0 HA ASP A 79 16.889 8.001 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.404 9.647 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.948 8.961 1.961 1.00 0.00 H new ATOM 1227 N ALA A 80 15.081 7.091 2.513 1.00 0.00 N ATOM 1228 CA ALA A 80 14.662 5.977 3.329 1.00 0.00 C ATOM 1229 C ALA A 80 14.264 4.785 2.437 1.00 0.00 C ATOM 1230 O ALA A 80 14.683 3.663 2.728 1.00 0.00 O ATOM 1231 CB ALA A 80 13.594 6.502 4.300 1.00 0.00 C ATOM 0 H ALA A 80 14.523 7.932 2.662 1.00 0.00 H new ATOM 0 HA ALA A 80 15.461 5.567 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 80 13.250 5.687 4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.021 7.291 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.752 6.901 3.734 1.00 0.00 H new ATOM 1237 N ILE A 81 13.525 4.987 1.340 1.00 0.00 N ATOM 1238 CA ILE A 81 13.185 3.907 0.406 1.00 0.00 C ATOM 1239 C ILE A 81 14.467 3.412 -0.298 1.00 0.00 C ATOM 1240 O ILE A 81 14.680 2.199 -0.400 1.00 0.00 O ATOM 1241 CB ILE A 81 12.083 4.344 -0.595 1.00 0.00 C ATOM 1242 CG1 ILE A 81 10.797 4.895 0.056 1.00 0.00 C ATOM 1243 CG2 ILE A 81 11.641 3.142 -1.448 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.002 5.756 -0.935 1.00 0.00 C ATOM 0 H ILE A 81 13.148 5.897 1.076 1.00 0.00 H new ATOM 0 HA ILE A 81 12.763 3.071 0.964 1.00 0.00 H new ATOM 0 HB ILE A 81 12.547 5.142 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.178 4.068 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.055 5.489 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.867 3.457 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.496 2.755 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.246 2.361 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.101 6.131 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.615 6.596 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.724 5.153 -1.800 1.00 0.00 H new ATOM 1256 N ALA A 82 15.343 4.322 -0.734 1.00 0.00 N ATOM 1257 CA ALA A 82 16.602 4.006 -1.401 1.00 0.00 C ATOM 1258 C ALA A 82 17.465 3.102 -0.528 1.00 0.00 C ATOM 1259 O ALA A 82 17.796 1.990 -0.942 1.00 0.00 O ATOM 1260 CB ALA A 82 17.341 5.297 -1.764 1.00 0.00 C ATOM 0 H ALA A 82 15.189 5.325 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 82 16.386 3.464 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.279 5.052 -2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.722 5.895 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.549 5.865 -0.857 1.00 0.00 H new ATOM 1266 N GLN A 83 17.777 3.540 0.692 1.00 0.00 N ATOM 1267 CA GLN A 83 18.538 2.776 1.671 1.00 0.00 C ATOM 1268 C GLN A 83 17.831 1.495 2.100 1.00 0.00 C ATOM 1269 O GLN A 83 18.510 0.562 2.544 1.00 0.00 O ATOM 1270 CB GLN A 83 18.798 3.619 2.919 1.00 0.00 C ATOM 1271 CG GLN A 83 20.043 4.511 2.822 1.00 0.00 C ATOM 1272 CD GLN A 83 19.775 5.855 2.176 1.00 0.00 C ATOM 1273 OE1 GLN A 83 19.948 6.047 0.973 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.421 6.837 2.979 1.00 0.00 N ATOM 0 H GLN A 83 17.498 4.460 1.032 1.00 0.00 H new ATOM 0 HA GLN A 83 19.474 2.505 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.928 4.247 3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.905 2.956 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.444 4.671 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 83 20.811 3.989 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.282 6.658 3.974 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.285 7.777 2.606 1.00 0.00 H new ATOM 1283 N ALA A 84 16.498 1.432 1.999 1.00 0.00 N ATOM 1284 CA ALA A 84 15.784 0.194 2.259 1.00 0.00 C ATOM 1285 C ALA A 84 16.061 -0.851 1.164 1.00 0.00 C ATOM 1286 O ALA A 84 15.811 -2.037 1.379 1.00 0.00 O ATOM 1287 CB ALA A 84 14.278 0.440 2.407 1.00 0.00 C ATOM 0 H ALA A 84 15.904 2.220 1.741 1.00 0.00 H new ATOM 0 HA ALA A 84 16.154 -0.203 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.772 -0.506 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.101 1.123 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.889 0.878 1.488 1.00 0.00 H new ATOM 1293 N GLY A 85 16.574 -0.417 0.008 1.00 0.00 N ATOM 1294 CA GLY A 85 17.050 -1.246 -1.090 1.00 0.00 C ATOM 1295 C GLY A 85 16.372 -0.935 -2.423 1.00 0.00 C ATOM 1296 O GLY A 85 16.545 -1.696 -3.378 1.00 0.00 O ATOM 0 H GLY A 85 16.671 0.579 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.126 -1.110 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.884 -2.294 -0.842 1.00 0.00 H new ATOM 1300 N TYR A 86 15.582 0.143 -2.516 1.00 0.00 N ATOM 1301 CA TYR A 86 14.603 0.330 -3.579 1.00 0.00 C ATOM 1302 C TYR A 86 14.687 1.746 -4.148 1.00 0.00 C ATOM 1303 O TYR A 86 14.306 2.708 -3.496 1.00 0.00 O ATOM 1304 CB TYR A 86 13.211 0.032 -3.005 1.00 0.00 C ATOM 1305 CG TYR A 86 13.078 -1.361 -2.432 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.878 -2.440 -3.304 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.173 -1.581 -1.041 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.825 -3.741 -2.793 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.074 -2.883 -0.519 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.939 -3.975 -1.406 1.00 0.00 C ATOM 1311 OH TYR A 86 12.942 -5.264 -0.974 1.00 0.00 O ATOM 0 H TYR A 86 15.610 0.912 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 86 14.806 -0.352 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.985 0.760 -2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.467 0.165 -3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.765 -2.268 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.323 -0.745 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.696 -4.575 -3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.101 -3.047 0.548 1.00 0.00 H new ATOM 0 HH TYR A 86 13.027 -5.282 0.002 1.00 0.00 H new ATOM 1321 N SER A 87 15.127 1.918 -5.393 1.00 0.00 N ATOM 1322 CA SER A 87 15.265 3.249 -6.014 1.00 0.00 C ATOM 1323 C SER A 87 13.934 3.883 -6.475 1.00 0.00 C ATOM 1324 O SER A 87 13.943 4.867 -7.215 1.00 0.00 O ATOM 1325 CB SER A 87 16.300 3.177 -7.142 1.00 0.00 C ATOM 1326 OG SER A 87 17.535 2.725 -6.601 1.00 0.00 O ATOM 0 H SER A 87 15.399 1.147 -6.004 1.00 0.00 H new ATOM 0 HA SER A 87 15.618 3.929 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.960 2.499 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.426 4.157 -7.602 1.00 0.00 H new ATOM 0 HG SER A 87 18.205 2.673 -7.314 1.00 0.00 H new ATOM 1332 N ALA A 88 12.790 3.367 -6.010 1.00 0.00 N ATOM 1333 CA ALA A 88 11.445 3.866 -6.274 1.00 0.00 C ATOM 1334 C ALA A 88 11.163 4.036 -7.778 1.00 0.00 C ATOM 1335 O ALA A 88 11.692 3.302 -8.612 1.00 0.00 O ATOM 1336 CB ALA A 88 11.202 5.133 -5.433 1.00 0.00 C ATOM 0 H ALA A 88 12.783 2.545 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 88 10.713 3.122 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.198 5.511 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.302 4.892 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.934 5.894 -5.702 1.00 0.00 H new ATOM 1342 N THR A 89 10.229 4.918 -8.119 1.00 0.00 N ATOM 1343 CA THR A 89 9.952 5.433 -9.455 1.00 0.00 C ATOM 1344 C THR A 89 10.017 6.968 -9.339 1.00 0.00 C ATOM 1345 O THR A 89 10.567 7.486 -8.364 1.00 0.00 O ATOM 1346 CB THR A 89 8.618 4.890 -10.022 1.00 0.00 C ATOM 1347 OG1 THR A 89 7.502 5.538 -9.458 1.00 0.00 O ATOM 1348 CG2 THR A 89 8.411 3.387 -9.841 1.00 0.00 C ATOM 0 H THR A 89 9.603 5.319 -7.421 1.00 0.00 H new ATOM 0 HA THR A 89 10.687 5.092 -10.184 1.00 0.00 H new ATOM 0 HB THR A 89 8.698 5.098 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.384 5.240 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.451 3.098 -10.268 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.211 2.846 -10.347 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.423 3.143 -8.779 1.00 0.00 H new ATOM 1356 N LYS A 90 9.502 7.716 -10.317 1.00 0.00 N ATOM 1357 CA LYS A 90 9.351 9.166 -10.198 1.00 0.00 C ATOM 1358 C LYS A 90 8.088 9.575 -9.426 1.00 0.00 C ATOM 1359 O LYS A 90 7.975 10.755 -9.106 1.00 0.00 O ATOM 1360 CB LYS A 90 9.365 9.823 -11.592 1.00 0.00 C ATOM 1361 CG LYS A 90 10.780 9.925 -12.186 1.00 0.00 C ATOM 1362 CD LYS A 90 11.297 8.656 -12.875 1.00 0.00 C ATOM 1363 CE LYS A 90 12.650 8.875 -13.557 1.00 0.00 C ATOM 1364 NZ LYS A 90 13.698 9.327 -12.621 1.00 0.00 N ATOM 0 H LYS A 90 9.180 7.336 -11.207 1.00 0.00 H new ATOM 0 HA LYS A 90 10.202 9.524 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.733 9.246 -12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.931 10.821 -11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.795 10.742 -12.908 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.472 10.193 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.389 7.857 -12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.569 8.325 -13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.968 7.945 -14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.536 9.613 -14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.610 9.377 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.452 10.268 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.772 8.654 -11.831 1.00 0.00 H new ATOM 1378 N GLY A 91 7.156 8.662 -9.121 1.00 0.00 N ATOM 1379 CA GLY A 91 5.827 9.041 -8.630 1.00 0.00 C ATOM 1380 C GLY A 91 5.066 7.937 -7.883 1.00 0.00 C ATOM 1381 O GLY A 91 3.857 8.054 -7.703 1.00 0.00 O ATOM 0 H GLY A 91 7.299 7.656 -9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.934 9.899 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.224 9.366 -9.477 1.00 0.00 H new ATOM 1385 N LEU A 92 5.737 6.855 -7.493 1.00 0.00 N ATOM 1386 CA LEU A 92 5.388 5.824 -6.506 1.00 0.00 C ATOM 1387 C LEU A 92 6.679 5.039 -6.228 1.00 0.00 C ATOM 1388 O LEU A 92 7.702 5.321 -6.861 1.00 0.00 O ATOM 1389 CB LEU A 92 4.225 4.908 -6.946 1.00 0.00 C ATOM 1390 CG LEU A 92 4.326 4.220 -8.318 1.00 0.00 C ATOM 1391 CD1 LEU A 92 5.185 2.954 -8.308 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.906 3.849 -8.754 1.00 0.00 C ATOM 0 H LEU A 92 6.646 6.653 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 92 5.008 6.294 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.108 4.131 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.311 5.502 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 92 4.809 4.916 -9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.210 2.524 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.199 3.205 -7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.759 2.231 -7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.941 3.358 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.465 3.173 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.300 4.752 -8.825 1.00 0.00 H new ATOM 1404 N PHE A 93 6.680 4.040 -5.347 1.00 0.00 N ATOM 1405 CA PHE A 93 7.751 3.045 -5.299 1.00 0.00 C ATOM 1406 C PHE A 93 7.141 1.670 -5.549 1.00 0.00 C ATOM 1407 O PHE A 93 5.922 1.520 -5.520 1.00 0.00 O ATOM 1408 CB PHE A 93 8.553 3.140 -3.990 1.00 0.00 C ATOM 1409 CG PHE A 93 7.838 2.705 -2.725 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.884 1.357 -2.320 1.00 0.00 C ATOM 1411 CD2 PHE A 93 7.167 3.647 -1.923 1.00 0.00 C ATOM 1412 CE1 PHE A 93 7.252 0.960 -1.132 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.539 3.248 -0.732 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.587 1.905 -0.337 1.00 0.00 C ATOM 0 H PHE A 93 5.947 3.898 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 93 8.483 3.236 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.454 2.536 -4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.875 4.173 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.406 0.629 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.135 4.683 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.278 -0.076 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.021 3.974 -0.123 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.111 1.596 0.582 1.00 0.00 H new ATOM 1424 N ARG A 94 7.961 0.655 -5.826 1.00 0.00 N ATOM 1425 CA ARG A 94 7.480 -0.716 -5.862 1.00 0.00 C ATOM 1426 C ARG A 94 8.495 -1.629 -5.210 1.00 0.00 C ATOM 1427 O ARG A 94 9.627 -1.213 -4.960 1.00 0.00 O ATOM 1428 CB ARG A 94 7.095 -1.194 -7.281 1.00 0.00 C ATOM 1429 CG ARG A 94 8.278 -1.479 -8.228 1.00 0.00 C ATOM 1430 CD ARG A 94 8.681 -0.224 -8.975 1.00 0.00 C ATOM 1431 NE ARG A 94 7.812 0.047 -10.134 1.00 0.00 N ATOM 1432 CZ ARG A 94 8.183 0.245 -11.403 1.00 0.00 C ATOM 1433 NH1 ARG A 94 9.455 0.268 -11.776 1.00 0.00 N ATOM 1434 NH2 ARG A 94 7.250 0.404 -12.323 1.00 0.00 N ATOM 0 H ARG A 94 8.955 0.761 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 94 6.552 -0.754 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.498 -2.101 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.458 -0.438 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.126 -1.855 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.002 -2.258 -8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.648 0.626 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.712 -0.322 -9.313 1.00 0.00 H new ATOM 0 HE ARG A 94 6.810 0.088 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.192 0.132 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.697 0.422 -12.755 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.265 0.375 -12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.514 0.556 -13.296 1.00 0.00 H new ATOM 1448 N ILE A 95 8.085 -2.874 -5.029 1.00 0.00 N ATOM 1449 CA ILE A 95 8.900 -3.983 -4.581 1.00 0.00 C ATOM 1450 C ILE A 95 8.543 -5.117 -5.546 1.00 0.00 C ATOM 1451 O ILE A 95 7.362 -5.224 -5.900 1.00 0.00 O ATOM 1452 CB ILE A 95 8.491 -4.358 -3.134 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.214 -3.152 -2.197 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.570 -5.242 -2.495 1.00 0.00 C ATOM 1455 CD1 ILE A 95 6.794 -2.567 -2.295 1.00 0.00 C ATOM 0 H ILE A 95 7.118 -3.150 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 95 9.968 -3.765 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 95 7.545 -4.889 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.393 -3.462 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.932 -2.364 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.274 -5.500 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.688 -6.153 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.516 -4.701 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.697 -1.730 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.613 -2.220 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.065 -3.336 -2.038 1.00 0.00 H new ATOM 1467 N PRO A 96 9.477 -5.990 -5.956 1.00 0.00 N ATOM 1468 CA PRO A 96 9.115 -7.193 -6.691 1.00 0.00 C ATOM 1469 C PRO A 96 8.435 -8.181 -5.738 1.00 0.00 C ATOM 1470 O PRO A 96 8.653 -8.133 -4.525 1.00 0.00 O ATOM 1471 CB PRO A 96 10.437 -7.734 -7.243 1.00 0.00 C ATOM 1472 CG PRO A 96 11.464 -7.277 -6.206 1.00 0.00 C ATOM 1473 CD PRO A 96 10.917 -5.927 -5.741 1.00 0.00 C ATOM 0 HA PRO A 96 8.409 -7.012 -7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.418 -8.820 -7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.656 -7.330 -8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.544 -7.984 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.459 -7.180 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.149 -5.751 -4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.362 -5.108 -6.307 1.00 0.00 H new ATOM 1481 N TRP A 97 7.664 -9.134 -6.267 1.00 0.00 N ATOM 1482 CA TRP A 97 7.134 -10.236 -5.451 1.00 0.00 C ATOM 1483 C TRP A 97 8.244 -11.131 -4.876 1.00 0.00 C ATOM 1484 O TRP A 97 8.008 -11.894 -3.941 1.00 0.00 O ATOM 1485 CB TRP A 97 6.141 -11.056 -6.274 1.00 0.00 C ATOM 1486 CG TRP A 97 5.046 -10.247 -6.892 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.774 -10.169 -8.212 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.038 -9.431 -6.225 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.693 -9.334 -8.412 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.194 -8.861 -7.220 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.725 -9.142 -4.879 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.088 -8.063 -6.907 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.598 -8.369 -4.547 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.774 -7.843 -5.557 1.00 0.00 C ATOM 0 H TRP A 97 7.393 -9.168 -7.250 1.00 0.00 H new ATOM 0 HA TRP A 97 6.620 -9.797 -4.596 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.683 -11.577 -7.063 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.698 -11.819 -5.634 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.318 -10.681 -8.992 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.312 -9.097 -9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.361 -9.520 -4.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.487 -7.624 -7.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.364 -8.178 -3.510 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.898 -7.269 -5.294 1.00 0.00 H new ATOM 1505 N ASN A 98 9.454 -11.018 -5.427 1.00 0.00 N ATOM 1506 CA ASN A 98 10.659 -11.748 -5.069 1.00 0.00 C ATOM 1507 C ASN A 98 11.199 -11.422 -3.678 1.00 0.00 C ATOM 1508 O ASN A 98 11.964 -12.231 -3.145 1.00 0.00 O ATOM 1509 CB ASN A 98 11.717 -11.414 -6.130 1.00 0.00 C ATOM 1510 CG ASN A 98 13.086 -12.047 -5.916 1.00 0.00 C ATOM 1511 OD1 ASN A 98 14.099 -11.365 -6.062 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.163 -13.339 -5.640 1.00 0.00 N ATOM 0 H ASN A 98 9.623 -10.364 -6.191 1.00 0.00 H new ATOM 0 HA ASN A 98 10.416 -12.810 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.340 -11.726 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.839 -10.331 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.075 -13.787 -5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.311 -13.887 -5.523 1.00 0.00 H new ATOM 1519 N ASP A 99 10.833 -10.282 -3.080 1.00 0.00 N ATOM 1520 CA ASP A 99 11.414 -9.823 -1.815 1.00 0.00 C ATOM 1521 C ASP A 99 10.330 -9.318 -0.852 1.00 0.00 C ATOM 1522 O ASP A 99 9.217 -9.014 -1.301 1.00 0.00 O ATOM 1523 CB ASP A 99 12.460 -8.717 -2.081 1.00 0.00 C ATOM 1524 CG ASP A 99 13.906 -9.220 -2.155 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.307 -10.131 -1.392 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.673 -8.640 -2.961 1.00 0.00 O ATOM 0 H ASP A 99 10.126 -9.653 -3.460 1.00 0.00 H new ATOM 0 HA ASP A 99 11.908 -10.672 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.213 -8.218 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.388 -7.968 -1.292 1.00 0.00 H new ATOM 1531 N PRO A 100 10.628 -9.191 0.457 1.00 0.00 N ATOM 1532 CA PRO A 100 9.713 -8.625 1.441 1.00 0.00 C ATOM 1533 C PRO A 100 9.542 -7.121 1.212 1.00 0.00 C ATOM 1534 O PRO A 100 10.525 -6.395 1.056 1.00 0.00 O ATOM 1535 CB PRO A 100 10.329 -8.924 2.812 1.00 0.00 C ATOM 1536 CG PRO A 100 11.822 -9.036 2.519 1.00 0.00 C ATOM 1537 CD PRO A 100 11.859 -9.618 1.110 1.00 0.00 C ATOM 0 HA PRO A 100 8.716 -9.059 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.120 -8.129 3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.934 -9.847 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.315 -8.065 2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.325 -9.685 3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.732 -9.260 0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 100 11.926 -10.706 1.140 1.00 0.00 H new ATOM 1545 N VAL A 101 8.300 -6.632 1.234 1.00 0.00 N ATOM 1546 CA VAL A 101 8.041 -5.204 1.296 1.00 0.00 C ATOM 1547 C VAL A 101 8.445 -4.692 2.692 1.00 0.00 C ATOM 1548 O VAL A 101 8.312 -5.416 3.690 1.00 0.00 O ATOM 1549 CB VAL A 101 6.575 -4.917 0.899 1.00 0.00 C ATOM 1550 CG1 VAL A 101 6.160 -5.541 -0.441 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.557 -5.389 1.907 1.00 0.00 C ATOM 0 H VAL A 101 7.461 -7.211 1.209 1.00 0.00 H new ATOM 0 HA VAL A 101 8.644 -4.652 0.576 1.00 0.00 H new ATOM 0 HB VAL A 101 6.571 -3.829 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.119 -5.295 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.792 -5.148 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.274 -6.624 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.555 -5.149 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.647 -6.467 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.732 -4.892 2.861 1.00 0.00 H new ATOM 1561 N HIS A 102 8.951 -3.458 2.767 1.00 0.00 N ATOM 1562 CA HIS A 102 9.532 -2.850 3.960 1.00 0.00 C ATOM 1563 C HIS A 102 8.402 -2.222 4.788 1.00 0.00 C ATOM 1564 O HIS A 102 8.041 -1.061 4.570 1.00 0.00 O ATOM 1565 CB HIS A 102 10.604 -1.825 3.521 1.00 0.00 C ATOM 1566 CG HIS A 102 11.882 -1.830 4.316 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.249 -0.991 5.348 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.964 -2.602 4.003 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.537 -1.243 5.641 1.00 0.00 C ATOM 1570 NE2 HIS A 102 14.007 -2.219 4.844 1.00 0.00 N ATOM 0 H HIS A 102 8.966 -2.832 1.962 1.00 0.00 H new ATOM 0 HA HIS A 102 10.028 -3.587 4.592 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.849 -2.010 2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.169 -0.827 3.575 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.004 -3.369 3.243 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.110 -0.736 6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.951 -2.606 4.853 1.00 0.00 H new ATOM 1578 N TYR A 103 7.805 -2.978 5.718 1.00 0.00 N ATOM 1579 CA TYR A 103 6.698 -2.491 6.541 1.00 0.00 C ATOM 1580 C TYR A 103 7.143 -1.251 7.325 1.00 0.00 C ATOM 1581 O TYR A 103 6.346 -0.344 7.554 1.00 0.00 O ATOM 1582 CB TYR A 103 6.180 -3.595 7.492 1.00 0.00 C ATOM 1583 CG TYR A 103 5.290 -4.687 6.896 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.319 -4.996 5.525 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.394 -5.392 7.724 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.469 -5.976 4.994 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.536 -6.376 7.198 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.571 -6.672 5.820 1.00 0.00 C ATOM 1589 OH TYR A 103 2.767 -7.627 5.284 1.00 0.00 O ATOM 0 H TYR A 103 8.077 -3.941 5.918 1.00 0.00 H new ATOM 0 HA TYR A 103 5.871 -2.215 5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 103 7.045 -4.078 7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.625 -3.112 8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.004 -4.473 4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.365 -5.173 8.781 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.505 -6.198 3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.853 -6.903 7.848 1.00 0.00 H new ATOM 0 HH TYR A 103 2.206 -8.015 5.988 1.00 0.00 H new ATOM 1599 N GLU A 104 8.419 -1.162 7.706 1.00 0.00 N ATOM 1600 CA GLU A 104 8.932 -0.044 8.478 1.00 0.00 C ATOM 1601 C GLU A 104 8.985 1.253 7.677 1.00 0.00 C ATOM 1602 O GLU A 104 8.734 2.335 8.216 1.00 0.00 O ATOM 1603 CB GLU A 104 10.352 -0.423 8.931 1.00 0.00 C ATOM 1604 CG GLU A 104 10.779 0.293 10.205 1.00 0.00 C ATOM 1605 CD GLU A 104 10.275 -0.501 11.411 1.00 0.00 C ATOM 1606 OE1 GLU A 104 9.049 -0.467 11.660 1.00 0.00 O ATOM 1607 OE2 GLU A 104 11.077 -1.298 11.953 1.00 0.00 O ATOM 0 H GLU A 104 9.121 -1.868 7.484 1.00 0.00 H new ATOM 0 HA GLU A 104 8.264 0.139 9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.401 -1.500 9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.057 -0.187 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.865 0.384 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.373 1.305 10.223 1.00 0.00 H new ATOM 1614 N LEU A 105 9.305 1.157 6.384 1.00 0.00 N ATOM 1615 CA LEU A 105 9.395 2.344 5.542 1.00 0.00 C ATOM 1616 C LEU A 105 8.017 2.724 5.025 1.00 0.00 C ATOM 1617 O LEU A 105 7.725 3.900 4.823 1.00 0.00 O ATOM 1618 CB LEU A 105 10.298 2.028 4.333 1.00 0.00 C ATOM 1619 CG LEU A 105 11.392 3.045 4.010 1.00 0.00 C ATOM 1620 CD1 LEU A 105 10.815 4.419 3.674 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.409 3.091 5.148 1.00 0.00 C ATOM 0 H LEU A 105 9.503 0.279 5.905 1.00 0.00 H new ATOM 0 HA LEU A 105 9.805 3.167 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.772 1.062 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.664 1.920 3.453 1.00 0.00 H new ATOM 0 HG LEU A 105 11.915 2.722 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.628 5.110 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.161 4.336 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.244 4.792 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.186 3.818 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.909 3.382 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.859 2.106 5.274 1.00 0.00 H new ATOM 1633 N LEU A 106 7.157 1.735 4.793 1.00 0.00 N ATOM 1634 CA LEU A 106 5.840 2.008 4.255 1.00 0.00 C ATOM 1635 C LEU A 106 4.863 2.412 5.358 1.00 0.00 C ATOM 1636 O LEU A 106 3.963 3.193 5.057 1.00 0.00 O ATOM 1637 CB LEU A 106 5.443 0.931 3.238 1.00 0.00 C ATOM 1638 CG LEU A 106 4.507 -0.183 3.708 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.056 0.279 3.556 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.728 -1.419 2.826 1.00 0.00 C ATOM 0 H LEU A 106 7.352 0.749 4.969 1.00 0.00 H new ATOM 0 HA LEU A 106 5.824 2.906 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.972 1.428 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.357 0.467 2.868 1.00 0.00 H new ATOM 0 HG LEU A 106 4.711 -0.422 4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.385 -0.513 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.893 1.172 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.855 0.508 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.066 -2.221 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.511 -1.168 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.764 -1.747 2.912 1.00 0.00 H new ATOM 1652 N LYS A 107 5.079 2.046 6.638 1.00 0.00 N ATOM 1653 CA LYS A 107 4.336 2.682 7.713 1.00 0.00 C ATOM 1654 C LYS A 107 4.721 4.152 7.804 1.00 0.00 C ATOM 1655 O LYS A 107 3.840 5.005 7.843 1.00 0.00 O ATOM 1656 CB LYS A 107 4.495 1.917 9.038 1.00 0.00 C ATOM 1657 CG LYS A 107 5.733 2.172 9.892 1.00 0.00 C ATOM 1658 CD LYS A 107 5.897 1.159 11.032 1.00 0.00 C ATOM 1659 CE LYS A 107 4.863 1.432 12.129 1.00 0.00 C ATOM 1660 NZ LYS A 107 4.800 0.395 13.184 1.00 0.00 N ATOM 0 H LYS A 107 5.745 1.333 6.934 1.00 0.00 H new ATOM 0 HA LYS A 107 3.270 2.644 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.621 2.135 9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.466 0.852 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.618 2.141 9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.677 3.176 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.774 0.146 10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.904 1.224 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.089 2.392 12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.879 1.525 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.077 0.656 13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.553 -0.520 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.725 0.320 13.653 1.00 0.00 H new ATOM 1674 N GLN A 108 6.021 4.463 7.812 1.00 0.00 N ATOM 1675 CA GLN A 108 6.462 5.752 8.332 1.00 0.00 C ATOM 1676 C GLN A 108 5.884 6.950 7.577 1.00 0.00 C ATOM 1677 O GLN A 108 5.632 7.994 8.181 1.00 0.00 O ATOM 1678 CB GLN A 108 7.987 5.839 8.502 1.00 0.00 C ATOM 1679 CG GLN A 108 8.741 5.619 7.221 1.00 0.00 C ATOM 1680 CD GLN A 108 10.251 5.538 7.447 1.00 0.00 C ATOM 1681 OE1 GLN A 108 11.003 6.354 6.933 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.726 4.536 8.169 1.00 0.00 N ATOM 0 H GLN A 108 6.766 3.855 7.473 1.00 0.00 H new ATOM 0 HA GLN A 108 6.039 5.812 9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.246 6.819 8.904 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.307 5.099 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.396 4.698 6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.522 6.431 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.086 3.863 8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.732 4.436 8.303 1.00 0.00 H new ATOM 1691 N MET A 109 5.639 6.789 6.276 1.00 0.00 N ATOM 1692 CA MET A 109 5.056 7.830 5.447 1.00 0.00 C ATOM 1693 C MET A 109 3.533 7.891 5.521 1.00 0.00 C ATOM 1694 O MET A 109 2.980 8.976 5.351 1.00 0.00 O ATOM 1695 CB MET A 109 5.565 7.671 4.012 1.00 0.00 C ATOM 1696 CG MET A 109 5.293 6.303 3.370 1.00 0.00 C ATOM 1697 SD MET A 109 6.119 6.115 1.770 1.00 0.00 S ATOM 1698 CE MET A 109 7.833 5.878 2.322 1.00 0.00 C ATOM 0 H MET A 109 5.842 5.927 5.771 1.00 0.00 H new ATOM 0 HA MET A 109 5.382 8.793 5.840 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.107 8.442 3.393 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.640 7.852 4.003 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.629 5.515 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.219 6.173 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.512 6.359 1.618 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.962 6.320 3.310 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.056 4.812 2.370 1.00 0.00 H new ATOM 1708 N ILE A 110 2.844 6.774 5.778 1.00 0.00 N ATOM 1709 CA ILE A 110 1.387 6.775 5.815 1.00 0.00 C ATOM 1710 C ILE A 110 0.914 7.323 7.165 1.00 0.00 C ATOM 1711 O ILE A 110 0.063 8.207 7.178 1.00 0.00 O ATOM 1712 CB ILE A 110 0.833 5.395 5.384 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.602 5.490 4.842 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.944 4.278 6.429 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.695 5.427 5.903 1.00 0.00 C ATOM 0 H ILE A 110 3.272 5.867 5.962 1.00 0.00 H new ATOM 0 HA ILE A 110 0.962 7.457 5.078 1.00 0.00 H new ATOM 0 HB ILE A 110 1.502 5.096 4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.705 6.424 4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.760 4.680 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.527 3.357 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.992 4.120 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.392 4.562 7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.671 5.502 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.626 4.481 6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.570 6.253 6.603 1.00 0.00 H new ATOM 1727 N GLU A 111 1.521 6.893 8.284 1.00 0.00 N ATOM 1728 CA GLU A 111 1.170 7.384 9.626 1.00 0.00 C ATOM 1729 C GLU A 111 1.309 8.908 9.666 1.00 0.00 C ATOM 1730 O GLU A 111 0.473 9.606 10.242 1.00 0.00 O ATOM 1731 CB GLU A 111 2.054 6.751 10.732 1.00 0.00 C ATOM 1732 CG GLU A 111 2.183 5.225 10.679 1.00 0.00 C ATOM 1733 CD GLU A 111 2.322 4.542 12.046 1.00 0.00 C ATOM 1734 OE1 GLU A 111 1.301 4.313 12.729 1.00 0.00 O ATOM 1735 OE2 GLU A 111 3.434 4.107 12.427 1.00 0.00 O ATOM 0 H GLU A 111 2.267 6.197 8.283 1.00 0.00 H new ATOM 0 HA GLU A 111 0.138 7.093 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.052 7.185 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.646 7.030 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.308 4.818 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.051 4.969 10.071 1.00 0.00 H new ATOM 1742 N PHE A 112 2.360 9.414 9.021 1.00 0.00 N ATOM 1743 CA PHE A 112 2.684 10.821 8.945 1.00 0.00 C ATOM 1744 C PHE A 112 1.719 11.581 8.049 1.00 0.00 C ATOM 1745 O PHE A 112 1.158 12.572 8.500 1.00 0.00 O ATOM 1746 CB PHE A 112 4.119 10.950 8.457 1.00 0.00 C ATOM 1747 CG PHE A 112 4.589 12.375 8.271 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.699 13.222 9.388 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.895 12.864 6.985 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.116 14.550 9.217 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.313 14.194 6.819 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.415 15.038 7.937 1.00 0.00 C ATOM 0 H PHE A 112 3.028 8.826 8.522 1.00 0.00 H new ATOM 0 HA PHE A 112 2.587 11.269 9.934 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.778 10.453 9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.217 10.421 7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.463 12.851 10.374 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.808 12.215 6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.207 15.200 10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.555 14.567 5.835 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.724 16.065 7.810 1.00 0.00 H new ATOM 1762 N ASN A 113 1.514 11.165 6.794 1.00 0.00 N ATOM 1763 CA ASN A 113 0.692 11.960 5.879 1.00 0.00 C ATOM 1764 C ASN A 113 -0.768 12.029 6.340 1.00 0.00 C ATOM 1765 O ASN A 113 -1.473 12.954 5.964 1.00 0.00 O ATOM 1766 CB ASN A 113 0.803 11.436 4.442 1.00 0.00 C ATOM 1767 CG ASN A 113 0.349 12.480 3.422 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.160 13.284 2.970 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.903 12.464 3.008 1.00 0.00 N ATOM 0 H ASN A 113 1.895 10.306 6.398 1.00 0.00 H new ATOM 0 HA ASN A 113 1.079 12.979 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.835 11.152 4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.198 10.536 4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.214 13.128 2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.560 11.788 3.397 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.229 11.085 7.168 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.513 11.189 7.859 1.00 0.00 C ATOM 1778 C ILE A 114 -2.444 12.298 8.915 1.00 0.00 C ATOM 1779 O ILE A 114 -3.300 13.188 8.908 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.901 9.819 8.453 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.261 8.860 7.288 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -4.077 9.927 9.446 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.688 7.447 7.695 1.00 0.00 C ATOM 0 H ILE A 114 -0.719 10.227 7.376 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.299 11.465 7.156 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.052 9.431 9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.067 9.310 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.398 8.782 6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.314 8.938 9.838 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.799 10.586 10.268 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.949 10.333 8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.916 6.864 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.879 6.967 8.245 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.574 7.503 8.328 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.473 12.248 9.842 1.00 0.00 N ATOM 1796 CA GLN A 115 -1.437 13.240 10.922 1.00 0.00 C ATOM 1797 C GLN A 115 -1.043 14.631 10.422 1.00 0.00 C ATOM 1798 O GLN A 115 -1.198 15.615 11.144 1.00 0.00 O ATOM 1799 CB GLN A 115 -0.551 12.775 12.080 1.00 0.00 C ATOM 1800 CG GLN A 115 0.927 12.673 11.731 1.00 0.00 C ATOM 1801 CD GLN A 115 1.767 12.232 12.923 1.00 0.00 C ATOM 1802 OE1 GLN A 115 1.413 11.288 13.626 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.881 12.884 13.187 1.00 0.00 N ATOM 0 H GLN A 115 -0.726 11.554 9.865 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.453 13.329 11.306 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.669 13.467 12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.900 11.801 12.422 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.058 11.964 10.913 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.283 13.640 11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.166 13.666 12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.458 12.607 13.981 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.530 14.716 9.199 1.00 0.00 N ATOM 1813 CA ASP A 116 -0.129 15.965 8.542 1.00 0.00 C ATOM 1814 C ASP A 116 -1.333 16.867 8.295 1.00 0.00 C ATOM 1815 O ASP A 116 -1.289 18.061 8.592 1.00 0.00 O ATOM 1816 CB ASP A 116 0.606 15.631 7.233 1.00 0.00 C ATOM 1817 CG ASP A 116 0.933 16.867 6.396 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.687 17.760 6.844 1.00 0.00 O ATOM 1819 OD2 ASP A 116 0.490 16.913 5.227 1.00 0.00 O ATOM 0 H ASP A 116 -0.375 13.894 8.615 1.00 0.00 H new ATOM 0 HA ASP A 116 0.547 16.516 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.531 15.103 7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -0.008 14.951 6.642 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.426 16.267 7.827 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.668 16.908 7.372 1.00 0.00 C ATOM 1826 C LYS A 117 -4.601 17.309 8.512 1.00 0.00 C ATOM 1827 O LYS A 117 -5.778 17.591 8.285 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.418 15.963 6.411 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.584 15.544 5.194 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.304 16.704 4.235 1.00 0.00 C ATOM 1831 CE LYS A 117 -2.362 16.237 3.127 1.00 0.00 C ATOM 1832 NZ LYS A 117 -1.755 17.374 2.407 1.00 0.00 N ATOM 0 H LYS A 117 -2.475 15.251 7.749 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.373 17.827 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.725 15.071 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.328 16.454 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.637 15.125 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.107 14.753 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.237 17.066 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.859 17.538 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -1.575 15.617 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -2.911 15.612 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.122 17.016 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.505 17.952 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.210 17.956 3.074 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.117 17.276 9.742 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.818 17.699 10.931 1.00 0.00 C ATOM 1848 C GLU A 118 -5.332 19.127 10.764 1.00 0.00 C ATOM 1849 O GLU A 118 -6.458 19.406 11.236 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.819 17.545 12.085 1.00 0.00 C ATOM 1851 CG GLU A 118 -3.940 16.175 12.766 1.00 0.00 C ATOM 1852 CD GLU A 118 -5.268 16.029 13.516 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -5.430 16.632 14.605 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -6.177 15.339 12.991 1.00 0.00 O ATOM 0 H GLU A 118 -3.177 16.935 9.943 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.705 17.098 11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.805 17.675 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.988 18.332 12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.857 15.388 12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.112 16.041 13.462 1.00 0.00 H new TER 1861 GLU A 118