USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 107 HIS : no HE2:sc= 0.618 K(o=1.6,f=-3.9!) USER MOD Set 1.2: A 111 SER OG : rot 23:sc= 0.945 USER MOD Set 2.1: A 23 THR OG1 : rot -59:sc= 1.18 USER MOD Set 2.2: A 104 HIS : no HE2:sc= 2.2 K(o=3.4,f=-11!) USER MOD Set 3.1: A 101 GLN : amide:sc= 0.356 K(o=4.9,f=2.9) USER MOD Set 3.2: A 103 ASN : amide:sc= 2.22 K(o=4.9,f=2.7) USER MOD Set 3.3: A 105 HIS : no HE2:sc= 2.36 K(o=4.9,f=-9.6!) USER MOD Set 4.1: A 10 THR OG1 : rot -111:sc= 1.33 USER MOD Set 4.2: A 46 LYS NZ :NH3+ 168:sc= 3.25 (180deg=2.16) USER MOD Set 4.3: A 68 ASN : amide:sc= 3.8 K(o=8.4,f=-4.6!) USER MOD Set 5.1: A 27 THR OG1 : rot -92:sc= 1.27 USER MOD Set 5.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 19 LYS NZ :NH3+ -160:sc= 2.3 (180deg=0.71) USER MOD Set 6.2: A 37 GLN : amide:sc= 1.08 K(o=3.4,f=-8.4!) USER MOD Set 7.1: A 2 SER OG : rot 68:sc= 2.08 USER MOD Set 7.2: A 7 LYS NZ :NH3+ 163:sc= 3.52 (180deg=2.02) USER MOD Single : A 1 ILE N :NH3+ -176:sc= 1.72 (180deg=1.57) USER MOD Single : A 5 GLN : amide:sc= 1.35 K(o=1.4,f=-9.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0.472 (180deg=0.0538) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -169:sc= 1.21 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -155:sc= 0.776 USER MOD Single : A 51 SER OG : rot -167:sc= 1.13 USER MOD Single : A 54 SER OG : rot -4:sc= 1.04 USER MOD Single : A 56 ASN : amide:sc= 0.427 K(o=0.43,f=-4.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -56:sc= 1.85 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 77 ASN : amide:sc= 0.72 K(o=0.72,f=-3.8!) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 0.897 (180deg=-0.35!) USER MOD Single : A 91 SER OG : rot -75:sc= 1.19 USER MOD Single : A 92 TYR OH : rot 13:sc= 1.04 USER MOD Single : A 100 GLN : amide:sc= 3.11 K(o=3.1,f=-8.5!) USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 2.06 (180deg=1.77) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 88:sc= 0.601 USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= 1.09 (180deg=0.244) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.828 10.114 13.187 1.00 0.00 N ATOM 2 CA ILE A 1 -0.527 9.661 13.574 1.00 0.00 C ATOM 3 C ILE A 1 -0.739 8.217 13.126 1.00 0.00 C ATOM 4 O ILE A 1 0.066 7.690 12.362 1.00 0.00 O ATOM 5 CB ILE A 1 -1.651 10.596 13.076 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.741 10.668 11.537 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.478 11.993 13.697 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.086 11.211 11.038 1.00 0.00 C ATOM 0 H1 ILE A 1 0.991 11.073 13.554 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.537 9.466 13.585 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.909 10.121 12.150 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.588 9.704 14.661 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.600 10.172 13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.938 11.302 11.161 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.581 9.673 11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.273 12.649 13.343 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.527 11.917 14.783 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.511 12.404 13.405 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.086 11.237 9.948 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.891 10.564 11.386 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.238 12.219 11.425 1.00 0.00 H new ATOM 22 N SER A 2 -1.803 7.564 13.603 1.00 0.00 N ATOM 23 CA SER A 2 -2.068 6.162 13.287 1.00 0.00 C ATOM 24 C SER A 2 -3.566 5.847 13.227 1.00 0.00 C ATOM 25 O SER A 2 -4.404 6.684 13.558 1.00 0.00 O ATOM 26 CB SER A 2 -1.371 5.278 14.328 1.00 0.00 C ATOM 27 OG SER A 2 -0.880 4.126 13.684 1.00 0.00 O ATOM 0 H SER A 2 -2.499 7.991 14.215 1.00 0.00 H new ATOM 0 HA SER A 2 -1.671 5.956 12.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.555 5.823 14.802 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.070 5.001 15.118 1.00 0.00 H new ATOM 0 HG SER A 2 -0.157 4.377 13.072 1.00 0.00 H new ATOM 33 N GLU A 3 -3.880 4.622 12.813 1.00 0.00 N ATOM 34 CA GLU A 3 -5.216 4.023 12.744 1.00 0.00 C ATOM 35 C GLU A 3 -5.177 2.561 13.233 1.00 0.00 C ATOM 36 O GLU A 3 -4.138 2.082 13.693 1.00 0.00 O ATOM 37 CB GLU A 3 -5.768 4.156 11.308 1.00 0.00 C ATOM 38 CG GLU A 3 -5.106 3.247 10.255 1.00 0.00 C ATOM 39 CD GLU A 3 -3.631 3.600 10.047 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.389 4.663 9.430 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.765 2.856 10.569 1.00 0.00 O ATOM 0 H GLU A 3 -3.159 3.974 12.494 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.896 4.555 13.409 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.837 3.942 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.656 5.192 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.190 2.206 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.639 3.339 9.309 1.00 0.00 H new ATOM 48 N PHE A 4 -6.289 1.828 13.111 1.00 0.00 N ATOM 49 CA PHE A 4 -6.349 0.400 13.449 1.00 0.00 C ATOM 50 C PHE A 4 -6.625 -0.448 12.201 1.00 0.00 C ATOM 51 O PHE A 4 -5.852 -1.345 11.870 1.00 0.00 O ATOM 52 CB PHE A 4 -7.386 0.191 14.565 1.00 0.00 C ATOM 53 CG PHE A 4 -7.120 1.008 15.821 1.00 0.00 C ATOM 54 CD1 PHE A 4 -5.922 0.830 16.541 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.059 1.963 16.262 1.00 0.00 C ATOM 56 CE1 PHE A 4 -5.661 1.600 17.688 1.00 0.00 C ATOM 57 CE2 PHE A 4 -7.799 2.730 17.413 1.00 0.00 C ATOM 58 CZ PHE A 4 -6.601 2.550 18.126 1.00 0.00 C ATOM 0 H PHE A 4 -7.174 2.208 12.775 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.383 0.063 13.826 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.374 0.446 14.181 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.410 -0.866 14.830 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.200 0.098 16.210 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.979 2.106 15.715 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.739 1.462 18.233 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.522 3.459 17.749 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.403 3.140 19.009 1.00 0.00 H new ATOM 68 N GLN A 5 -7.693 -0.109 11.477 1.00 0.00 N ATOM 69 CA GLN A 5 -8.214 -0.767 10.282 1.00 0.00 C ATOM 70 C GLN A 5 -7.138 -1.133 9.244 1.00 0.00 C ATOM 71 O GLN A 5 -7.043 -2.296 8.853 1.00 0.00 O ATOM 72 CB GLN A 5 -9.365 0.072 9.677 1.00 0.00 C ATOM 73 CG GLN A 5 -9.118 1.584 9.462 1.00 0.00 C ATOM 74 CD GLN A 5 -9.441 2.450 10.687 1.00 0.00 C ATOM 75 OE1 GLN A 5 -8.806 2.367 11.731 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.428 3.321 10.604 1.00 0.00 N ATOM 0 H GLN A 5 -8.260 0.699 11.734 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.613 -1.731 10.597 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.628 -0.365 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.235 -0.037 10.324 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.074 1.736 9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.721 1.924 8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.966 3.402 9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.653 3.914 11.403 1.00 0.00 H new ATOM 85 N LEU A 6 -6.303 -0.173 8.820 1.00 0.00 N ATOM 86 CA LEU A 6 -5.325 -0.359 7.739 1.00 0.00 C ATOM 87 C LEU A 6 -4.306 -1.476 8.033 1.00 0.00 C ATOM 88 O LEU A 6 -3.834 -2.145 7.112 1.00 0.00 O ATOM 89 CB LEU A 6 -4.622 0.989 7.479 1.00 0.00 C ATOM 90 CG LEU A 6 -3.797 1.054 6.177 1.00 0.00 C ATOM 91 CD1 LEU A 6 -4.693 1.002 4.933 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.999 2.360 6.144 1.00 0.00 C ATOM 0 H LEU A 6 -6.288 0.764 9.223 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.858 -0.684 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.376 1.776 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.963 1.206 8.320 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.133 0.190 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.074 1.050 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.261 0.072 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.381 1.847 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.416 2.407 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.685 3.206 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.328 2.398 7.002 1.00 0.00 H new ATOM 104 N LYS A 7 -4.005 -1.717 9.317 1.00 0.00 N ATOM 105 CA LYS A 7 -3.061 -2.744 9.782 1.00 0.00 C ATOM 106 C LYS A 7 -3.621 -4.171 9.704 1.00 0.00 C ATOM 107 O LYS A 7 -2.830 -5.114 9.753 1.00 0.00 O ATOM 108 CB LYS A 7 -2.628 -2.425 11.223 1.00 0.00 C ATOM 109 CG LYS A 7 -2.000 -1.028 11.342 1.00 0.00 C ATOM 110 CD LYS A 7 -1.468 -0.786 12.758 1.00 0.00 C ATOM 111 CE LYS A 7 -0.757 0.565 12.871 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.684 1.703 12.690 1.00 0.00 N ATOM 0 H LYS A 7 -4.423 -1.188 10.082 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.204 -2.716 9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.492 -2.491 11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.911 -3.174 11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.188 -0.928 10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.742 -0.269 11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.294 -0.824 13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.778 -1.585 13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.278 0.641 13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.034 0.621 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.242 2.572 13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.899 1.818 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.565 1.520 13.212 1.00 0.00 H new ATOM 126 N GLY A 8 -4.947 -4.302 9.532 1.00 0.00 N ATOM 127 CA GLY A 8 -5.801 -5.496 9.503 1.00 0.00 C ATOM 128 C GLY A 8 -5.117 -6.850 9.279 1.00 0.00 C ATOM 129 O GLY A 8 -4.358 -7.019 8.319 1.00 0.00 O ATOM 0 H GLY A 8 -5.514 -3.466 9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.343 -5.545 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.543 -5.360 8.716 1.00 0.00 H new ATOM 133 N THR A 9 -5.438 -7.809 10.157 1.00 0.00 N ATOM 134 CA THR A 9 -4.940 -9.189 10.271 1.00 0.00 C ATOM 135 C THR A 9 -5.263 -10.063 9.046 1.00 0.00 C ATOM 136 O THR A 9 -6.042 -11.009 9.113 1.00 0.00 O ATOM 137 CB THR A 9 -5.493 -9.817 11.569 1.00 0.00 C ATOM 138 OG1 THR A 9 -5.384 -8.888 12.626 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.733 -11.069 12.011 1.00 0.00 C ATOM 0 H THR A 9 -6.127 -7.618 10.884 1.00 0.00 H new ATOM 0 HA THR A 9 -3.852 -9.145 10.311 1.00 0.00 H new ATOM 0 HB THR A 9 -6.525 -10.090 11.350 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.737 -9.286 13.449 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.175 -11.458 12.929 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.794 -11.827 11.230 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.688 -10.816 12.190 1.00 0.00 H new ATOM 147 N THR A 10 -4.624 -9.760 7.915 1.00 0.00 N ATOM 148 CA THR A 10 -4.662 -10.514 6.653 1.00 0.00 C ATOM 149 C THR A 10 -4.037 -11.913 6.740 1.00 0.00 C ATOM 150 O THR A 10 -4.378 -12.770 5.932 1.00 0.00 O ATOM 151 CB THR A 10 -3.948 -9.703 5.550 1.00 0.00 C ATOM 152 OG1 THR A 10 -2.831 -9.017 6.082 1.00 0.00 O ATOM 153 CG2 THR A 10 -4.871 -8.648 4.944 1.00 0.00 C ATOM 0 H THR A 10 -4.030 -8.934 7.847 1.00 0.00 H new ATOM 0 HA THR A 10 -5.716 -10.663 6.417 1.00 0.00 H new ATOM 0 HB THR A 10 -3.643 -10.419 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.005 -8.053 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.335 -8.096 4.171 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.741 -9.135 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.196 -7.958 5.723 1.00 0.00 H new ATOM 161 N TYR A 11 -3.152 -12.152 7.715 1.00 0.00 N ATOM 162 CA TYR A 11 -2.475 -13.420 8.020 1.00 0.00 C ATOM 163 C TYR A 11 -2.175 -13.494 9.534 1.00 0.00 C ATOM 164 O TYR A 11 -2.381 -12.516 10.256 1.00 0.00 O ATOM 165 CB TYR A 11 -1.169 -13.514 7.198 1.00 0.00 C ATOM 166 CG TYR A 11 -1.280 -14.206 5.851 1.00 0.00 C ATOM 167 CD1 TYR A 11 -1.679 -13.487 4.709 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.951 -15.572 5.735 1.00 0.00 C ATOM 169 CE1 TYR A 11 -1.754 -14.123 3.454 1.00 0.00 C ATOM 170 CE2 TYR A 11 -1.035 -16.216 4.487 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.426 -15.493 3.341 1.00 0.00 C ATOM 172 OH TYR A 11 -1.476 -16.121 2.135 1.00 0.00 O ATOM 0 H TYR A 11 -2.869 -11.412 8.358 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.118 -14.259 7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.791 -12.504 7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.424 -14.041 7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.930 -12.440 4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.634 -16.125 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.061 -13.566 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.799 -17.267 4.406 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.218 -17.060 2.244 1.00 0.00 H new ATOM 182 N GLY A 12 -1.640 -14.626 10.017 1.00 0.00 N ATOM 183 CA GLY A 12 -1.072 -14.744 11.367 1.00 0.00 C ATOM 184 C GLY A 12 0.238 -13.952 11.506 1.00 0.00 C ATOM 185 O GLY A 12 1.013 -13.874 10.553 1.00 0.00 O ATOM 0 H GLY A 12 -1.590 -15.490 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.795 -14.382 12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.888 -15.794 11.593 1.00 0.00 H new ATOM 189 N VAL A 13 0.473 -13.337 12.674 1.00 0.00 N ATOM 190 CA VAL A 13 1.532 -12.334 12.892 1.00 0.00 C ATOM 191 C VAL A 13 2.952 -12.926 12.968 1.00 0.00 C ATOM 192 O VAL A 13 3.398 -13.399 14.017 1.00 0.00 O ATOM 193 CB VAL A 13 1.180 -11.399 14.073 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.012 -12.084 15.440 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.193 -10.255 14.195 1.00 0.00 C ATOM 0 H VAL A 13 -0.077 -13.525 13.512 1.00 0.00 H new ATOM 0 HA VAL A 13 1.564 -11.714 11.996 1.00 0.00 H new ATOM 0 HB VAL A 13 0.193 -11.015 13.814 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.767 -11.336 16.194 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.209 -12.818 15.383 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.941 -12.584 15.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.919 -9.615 15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.188 -10.667 14.362 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.193 -9.669 13.276 1.00 0.00 H new ATOM 205 N CYS A 14 3.681 -12.887 11.846 1.00 0.00 N ATOM 206 CA CYS A 14 5.109 -13.201 11.762 1.00 0.00 C ATOM 207 C CYS A 14 5.751 -12.607 10.498 1.00 0.00 C ATOM 208 O CYS A 14 5.064 -12.088 9.621 1.00 0.00 O ATOM 209 CB CYS A 14 5.327 -14.726 11.834 1.00 0.00 C ATOM 210 SG CYS A 14 5.322 -15.702 10.300 1.00 0.00 S ATOM 0 H CYS A 14 3.279 -12.628 10.945 1.00 0.00 H new ATOM 0 HA CYS A 14 5.604 -12.739 12.616 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.284 -14.897 12.327 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.555 -15.136 12.485 1.00 0.00 H new ATOM 215 N SER A 15 7.077 -12.718 10.395 1.00 0.00 N ATOM 216 CA SER A 15 7.846 -12.478 9.165 1.00 0.00 C ATOM 217 C SER A 15 9.146 -13.288 9.064 1.00 0.00 C ATOM 218 O SER A 15 9.617 -13.525 7.954 1.00 0.00 O ATOM 219 CB SER A 15 8.170 -10.991 9.036 1.00 0.00 C ATOM 220 OG SER A 15 9.034 -10.568 10.073 1.00 0.00 O ATOM 0 H SER A 15 7.665 -12.985 11.185 1.00 0.00 H new ATOM 0 HA SER A 15 7.208 -12.815 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.636 -10.799 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.248 -10.410 9.067 1.00 0.00 H new ATOM 0 HG SER A 15 9.228 -9.613 9.968 1.00 0.00 H new ATOM 226 N LYS A 16 9.705 -13.748 10.195 1.00 0.00 N ATOM 227 CA LYS A 16 10.923 -14.551 10.389 1.00 0.00 C ATOM 228 C LYS A 16 12.212 -13.955 9.809 1.00 0.00 C ATOM 229 O LYS A 16 13.166 -13.746 10.551 1.00 0.00 O ATOM 230 CB LYS A 16 10.683 -15.994 9.904 1.00 0.00 C ATOM 231 CG LYS A 16 11.819 -16.933 10.349 1.00 0.00 C ATOM 232 CD LYS A 16 11.755 -18.344 9.742 1.00 0.00 C ATOM 233 CE LYS A 16 12.362 -18.435 8.332 1.00 0.00 C ATOM 234 NZ LYS A 16 11.438 -17.974 7.274 1.00 0.00 N ATOM 0 H LYS A 16 9.267 -13.544 11.093 1.00 0.00 H new ATOM 0 HA LYS A 16 11.109 -14.548 11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.733 -16.358 10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.604 -16.006 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.774 -16.479 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.799 -17.017 11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.279 -19.038 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.715 -18.667 9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.274 -17.838 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.649 -19.467 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.861 -18.153 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.538 -18.489 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.264 -16.955 7.385 1.00 0.00 H new ATOM 248 N ALA A 17 12.272 -13.773 8.491 1.00 0.00 N ATOM 249 CA ALA A 17 13.501 -13.633 7.720 1.00 0.00 C ATOM 250 C ALA A 17 13.433 -12.430 6.767 1.00 0.00 C ATOM 251 O ALA A 17 13.309 -12.564 5.548 1.00 0.00 O ATOM 252 CB ALA A 17 13.782 -14.972 7.031 1.00 0.00 C ATOM 0 H ALA A 17 11.434 -13.717 7.912 1.00 0.00 H new ATOM 0 HA ALA A 17 14.347 -13.408 8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.698 -14.895 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.897 -15.752 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.951 -15.224 6.372 1.00 0.00 H new ATOM 258 N PHE A 18 13.563 -11.242 7.361 1.00 0.00 N ATOM 259 CA PHE A 18 13.936 -10.001 6.686 1.00 0.00 C ATOM 260 C PHE A 18 15.353 -9.590 7.105 1.00 0.00 C ATOM 261 O PHE A 18 15.838 -9.959 8.175 1.00 0.00 O ATOM 262 CB PHE A 18 12.958 -8.872 7.058 1.00 0.00 C ATOM 263 CG PHE A 18 11.726 -8.755 6.183 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.817 -8.132 4.923 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.478 -9.200 6.652 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.662 -7.940 4.144 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.322 -9.014 5.871 1.00 0.00 C ATOM 268 CZ PHE A 18 9.413 -8.376 4.621 1.00 0.00 C ATOM 0 H PHE A 18 13.405 -11.115 8.361 1.00 0.00 H new ATOM 0 HA PHE A 18 13.899 -10.169 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.636 -9.020 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.496 -7.925 7.025 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.776 -7.801 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.406 -9.686 7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.734 -7.458 3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.365 -9.361 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.524 -8.221 4.028 1.00 0.00 H new ATOM 278 N LYS A 19 15.964 -8.734 6.287 1.00 0.00 N ATOM 279 CA LYS A 19 17.149 -7.938 6.597 1.00 0.00 C ATOM 280 C LYS A 19 16.897 -6.500 6.118 1.00 0.00 C ATOM 281 O LYS A 19 16.296 -6.301 5.064 1.00 0.00 O ATOM 282 CB LYS A 19 18.362 -8.622 5.928 1.00 0.00 C ATOM 283 CG LYS A 19 19.540 -7.669 5.725 1.00 0.00 C ATOM 284 CD LYS A 19 20.778 -8.316 5.098 1.00 0.00 C ATOM 285 CE LYS A 19 21.867 -7.267 4.809 1.00 0.00 C ATOM 286 NZ LYS A 19 21.374 -6.162 3.947 1.00 0.00 N ATOM 0 H LYS A 19 15.626 -8.569 5.339 1.00 0.00 H new ATOM 0 HA LYS A 19 17.361 -7.880 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.683 -9.464 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.058 -9.028 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.218 -6.842 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.817 -7.243 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.173 -9.079 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.499 -8.820 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.230 -6.855 5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.715 -7.751 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.182 -5.679 3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.756 -6.549 3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.838 -5.483 4.525 1.00 0.00 H new ATOM 300 N PHE A 20 17.382 -5.493 6.853 1.00 0.00 N ATOM 301 CA PHE A 20 17.421 -4.111 6.361 1.00 0.00 C ATOM 302 C PHE A 20 18.427 -3.963 5.206 1.00 0.00 C ATOM 303 O PHE A 20 19.527 -4.522 5.242 1.00 0.00 O ATOM 304 CB PHE A 20 17.786 -3.141 7.494 1.00 0.00 C ATOM 305 CG PHE A 20 16.702 -2.898 8.530 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.513 -2.236 8.164 1.00 0.00 C ATOM 307 CD2 PHE A 20 16.916 -3.240 9.880 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.535 -1.944 9.134 1.00 0.00 C ATOM 309 CE2 PHE A 20 15.950 -2.921 10.851 1.00 0.00 C ATOM 310 CZ PHE A 20 14.753 -2.286 10.479 1.00 0.00 C ATOM 0 H PHE A 20 17.755 -5.610 7.795 1.00 0.00 H new ATOM 0 HA PHE A 20 16.426 -3.865 5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.670 -3.523 8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.062 -2.183 7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.351 -1.951 7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.824 -3.748 10.170 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.616 -1.456 8.844 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.129 -3.165 11.888 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.004 -2.062 11.224 1.00 0.00 H new ATOM 320 N LEU A 21 18.064 -3.170 4.196 1.00 0.00 N ATOM 321 CA LEU A 21 18.924 -2.817 3.066 1.00 0.00 C ATOM 322 C LEU A 21 19.318 -1.339 3.180 1.00 0.00 C ATOM 323 O LEU A 21 20.501 -1.018 3.236 1.00 0.00 O ATOM 324 CB LEU A 21 18.179 -3.150 1.756 1.00 0.00 C ATOM 325 CG LEU A 21 19.010 -3.178 0.457 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.884 -1.950 0.198 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.897 -4.422 0.376 1.00 0.00 C ATOM 0 H LEU A 21 17.139 -2.744 4.141 1.00 0.00 H new ATOM 0 HA LEU A 21 19.849 -3.393 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.707 -4.125 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.378 -2.421 1.629 1.00 0.00 H new ATOM 0 HG LEU A 21 18.244 -3.188 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.423 -2.078 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.255 -1.062 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.598 -1.833 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.466 -4.403 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.584 -4.434 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.274 -5.316 0.402 1.00 0.00 H new ATOM 339 N GLY A 22 18.316 -0.457 3.237 1.00 0.00 N ATOM 340 CA GLY A 22 18.453 0.991 3.181 1.00 0.00 C ATOM 341 C GLY A 22 17.728 1.640 4.352 1.00 0.00 C ATOM 342 O GLY A 22 16.496 1.674 4.371 1.00 0.00 O ATOM 0 H GLY A 22 17.344 -0.753 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.508 1.264 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.046 1.365 2.241 1.00 0.00 H new ATOM 346 N THR A 23 18.508 2.145 5.314 1.00 0.00 N ATOM 347 CA THR A 23 18.070 2.980 6.442 1.00 0.00 C ATOM 348 C THR A 23 17.055 4.039 5.988 1.00 0.00 C ATOM 349 O THR A 23 17.272 4.656 4.942 1.00 0.00 O ATOM 350 CB THR A 23 19.312 3.656 7.051 1.00 0.00 C ATOM 351 OG1 THR A 23 20.133 2.657 7.614 1.00 0.00 O ATOM 352 CG2 THR A 23 19.043 4.703 8.135 1.00 0.00 C ATOM 0 H THR A 23 19.514 1.975 5.329 1.00 0.00 H new ATOM 0 HA THR A 23 17.576 2.355 7.186 1.00 0.00 H new ATOM 0 HB THR A 23 19.777 4.194 6.225 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.633 2.174 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.990 5.111 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.434 5.507 7.721 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.514 4.238 8.967 1.00 0.00 H new ATOM 360 N PRO A 24 15.967 4.278 6.750 1.00 0.00 N ATOM 361 CA PRO A 24 14.911 5.194 6.335 1.00 0.00 C ATOM 362 C PRO A 24 15.404 6.622 6.058 1.00 0.00 C ATOM 363 O PRO A 24 16.365 7.095 6.668 1.00 0.00 O ATOM 364 CB PRO A 24 13.843 5.152 7.437 1.00 0.00 C ATOM 365 CG PRO A 24 14.529 4.483 8.627 1.00 0.00 C ATOM 366 CD PRO A 24 15.593 3.606 7.983 1.00 0.00 C ATOM 0 HA PRO A 24 14.503 4.874 5.376 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.499 6.154 7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.968 4.587 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.970 5.218 9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.826 3.893 9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.454 3.489 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.207 2.607 7.782 1.00 0.00 H new ATOM 374 N ALA A 25 14.695 7.326 5.170 1.00 0.00 N ATOM 375 CA ALA A 25 14.926 8.729 4.828 1.00 0.00 C ATOM 376 C ALA A 25 13.586 9.454 4.620 1.00 0.00 C ATOM 377 O ALA A 25 12.776 9.010 3.803 1.00 0.00 O ATOM 378 CB ALA A 25 15.805 8.787 3.573 1.00 0.00 C ATOM 0 H ALA A 25 13.917 6.918 4.652 1.00 0.00 H new ATOM 0 HA ALA A 25 15.442 9.238 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.987 9.827 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 25 16.756 8.292 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.298 8.283 2.750 1.00 0.00 H new ATOM 384 N ASP A 26 13.316 10.527 5.386 1.00 0.00 N ATOM 385 CA ASP A 26 12.069 11.289 5.243 1.00 0.00 C ATOM 386 C ASP A 26 12.023 12.010 3.889 1.00 0.00 C ATOM 387 O ASP A 26 12.909 12.785 3.533 1.00 0.00 O ATOM 388 CB ASP A 26 11.796 12.236 6.425 1.00 0.00 C ATOM 389 CG ASP A 26 10.311 12.657 6.471 1.00 0.00 C ATOM 390 OD1 ASP A 26 9.851 13.319 5.512 1.00 0.00 O ATOM 391 OD2 ASP A 26 9.627 12.298 7.464 1.00 0.00 O ATOM 0 H ASP A 26 13.944 10.882 6.107 1.00 0.00 H new ATOM 0 HA ASP A 26 11.252 10.568 5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.066 11.743 7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.425 13.122 6.338 1.00 0.00 H new ATOM 396 N THR A 27 10.964 11.718 3.140 1.00 0.00 N ATOM 397 CA THR A 27 10.629 12.240 1.812 1.00 0.00 C ATOM 398 C THR A 27 10.373 13.748 1.773 1.00 0.00 C ATOM 399 O THR A 27 10.319 14.313 0.683 1.00 0.00 O ATOM 400 CB THR A 27 9.346 11.562 1.302 1.00 0.00 C ATOM 401 OG1 THR A 27 8.295 11.771 2.223 1.00 0.00 O ATOM 402 CG2 THR A 27 9.500 10.057 1.080 1.00 0.00 C ATOM 0 H THR A 27 10.260 11.058 3.469 1.00 0.00 H new ATOM 0 HA THR A 27 11.501 12.027 1.193 1.00 0.00 H new ATOM 0 HB THR A 27 9.126 12.018 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.262 11.024 2.856 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.558 9.644 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.281 9.876 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.772 9.577 2.020 1.00 0.00 H new ATOM 410 N GLY A 28 10.134 14.397 2.921 1.00 0.00 N ATOM 411 CA GLY A 28 9.629 15.769 2.988 1.00 0.00 C ATOM 412 C GLY A 28 8.104 15.859 2.842 1.00 0.00 C ATOM 413 O GLY A 28 7.523 16.876 3.209 1.00 0.00 O ATOM 0 H GLY A 28 10.289 13.977 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.923 16.212 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.098 16.361 2.202 1.00 0.00 H new ATOM 417 N HIS A 29 7.434 14.782 2.405 1.00 0.00 N ATOM 418 CA HIS A 29 5.979 14.616 2.497 1.00 0.00 C ATOM 419 C HIS A 29 5.535 14.168 3.904 1.00 0.00 C ATOM 420 O HIS A 29 4.378 13.800 4.099 1.00 0.00 O ATOM 421 CB HIS A 29 5.501 13.624 1.422 1.00 0.00 C ATOM 422 CG HIS A 29 5.884 14.016 0.016 1.00 0.00 C ATOM 423 ND1 HIS A 29 6.682 13.287 -0.835 1.00 0.00 N ATOM 424 CD2 HIS A 29 5.496 15.151 -0.643 1.00 0.00 C ATOM 425 CE1 HIS A 29 6.773 13.975 -1.989 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.066 15.113 -1.918 1.00 0.00 N ATOM 0 H HIS A 29 7.900 13.986 1.969 1.00 0.00 H new ATOM 0 HA HIS A 29 5.515 15.586 2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.915 12.640 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.416 13.534 1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.864 15.933 -0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.337 13.655 -2.852 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.964 15.814 -2.652 1.00 0.00 H new ATOM 434 N GLY A 30 6.451 14.155 4.883 1.00 0.00 N ATOM 435 CA GLY A 30 6.187 13.753 6.263 1.00 0.00 C ATOM 436 C GLY A 30 6.285 12.245 6.500 1.00 0.00 C ATOM 437 O GLY A 30 5.968 11.802 7.602 1.00 0.00 O ATOM 0 H GLY A 30 7.420 14.432 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.893 14.261 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.190 14.091 6.545 1.00 0.00 H new ATOM 441 N THR A 31 6.725 11.477 5.497 1.00 0.00 N ATOM 442 CA THR A 31 6.838 10.011 5.485 1.00 0.00 C ATOM 443 C THR A 31 8.264 9.596 5.107 1.00 0.00 C ATOM 444 O THR A 31 8.897 10.278 4.298 1.00 0.00 O ATOM 445 CB THR A 31 5.825 9.390 4.502 1.00 0.00 C ATOM 446 OG1 THR A 31 6.021 9.875 3.196 1.00 0.00 O ATOM 447 CG2 THR A 31 4.374 9.700 4.876 1.00 0.00 C ATOM 0 H THR A 31 7.032 11.887 4.615 1.00 0.00 H new ATOM 0 HA THR A 31 6.613 9.641 6.486 1.00 0.00 H new ATOM 0 HB THR A 31 5.997 8.315 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.367 9.464 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.705 9.238 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.162 9.304 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.221 10.779 4.876 1.00 0.00 H new ATOM 455 N VAL A 32 8.774 8.483 5.656 1.00 0.00 N ATOM 456 CA VAL A 32 10.067 7.892 5.274 1.00 0.00 C ATOM 457 C VAL A 32 9.889 6.854 4.178 1.00 0.00 C ATOM 458 O VAL A 32 9.005 6.004 4.268 1.00 0.00 O ATOM 459 CB VAL A 32 10.851 7.233 6.438 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.618 8.268 7.271 1.00 0.00 C ATOM 461 CG2 VAL A 32 10.017 6.311 7.340 1.00 0.00 C ATOM 0 H VAL A 32 8.293 7.960 6.388 1.00 0.00 H new ATOM 0 HA VAL A 32 10.656 8.741 4.926 1.00 0.00 H new ATOM 0 HB VAL A 32 11.569 6.580 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.153 7.763 8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.331 8.792 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.916 8.985 7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.652 5.898 8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.206 6.881 7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.601 5.499 6.744 1.00 0.00 H new ATOM 471 N VAL A 33 10.802 6.879 3.204 1.00 0.00 N ATOM 472 CA VAL A 33 11.132 5.721 2.366 1.00 0.00 C ATOM 473 C VAL A 33 12.195 4.878 3.086 1.00 0.00 C ATOM 474 O VAL A 33 13.153 5.431 3.627 1.00 0.00 O ATOM 475 CB VAL A 33 11.600 6.151 0.960 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.388 6.493 0.087 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.587 7.328 0.937 1.00 0.00 C ATOM 0 H VAL A 33 11.340 7.714 2.971 1.00 0.00 H new ATOM 0 HA VAL A 33 10.237 5.118 2.216 1.00 0.00 H new ATOM 0 HB VAL A 33 12.145 5.293 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.727 6.796 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.745 5.618 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.829 7.309 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.857 7.556 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.121 8.202 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.484 7.062 1.497 1.00 0.00 H new ATOM 487 N LEU A 34 11.994 3.556 3.133 1.00 0.00 N ATOM 488 CA LEU A 34 12.709 2.569 3.956 1.00 0.00 C ATOM 489 C LEU A 34 12.892 1.272 3.141 1.00 0.00 C ATOM 490 O LEU A 34 11.902 0.733 2.643 1.00 0.00 O ATOM 491 CB LEU A 34 11.818 2.329 5.199 1.00 0.00 C ATOM 492 CG LEU A 34 12.369 1.539 6.411 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.260 0.647 6.978 1.00 0.00 C ATOM 494 CD2 LEU A 34 13.601 0.662 6.179 1.00 0.00 C ATOM 0 H LEU A 34 11.277 3.115 2.557 1.00 0.00 H new ATOM 0 HA LEU A 34 13.700 2.910 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.505 3.306 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.920 1.814 4.858 1.00 0.00 H new ATOM 0 HG LEU A 34 12.701 2.320 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.643 0.088 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.422 1.267 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.925 -0.050 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.877 0.168 7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.375 -0.090 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.430 1.282 5.838 1.00 0.00 H new ATOM 506 N GLU A 35 14.120 0.748 2.996 1.00 0.00 N ATOM 507 CA GLU A 35 14.379 -0.442 2.167 1.00 0.00 C ATOM 508 C GLU A 35 14.821 -1.669 2.979 1.00 0.00 C ATOM 509 O GLU A 35 15.725 -1.594 3.818 1.00 0.00 O ATOM 510 CB GLU A 35 15.389 -0.111 1.054 1.00 0.00 C ATOM 511 CG GLU A 35 15.189 -1.058 -0.135 1.00 0.00 C ATOM 512 CD GLU A 35 16.066 -0.709 -1.333 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.305 -0.681 -1.189 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.528 -0.581 -2.458 1.00 0.00 O ATOM 0 H GLU A 35 14.952 1.131 3.444 1.00 0.00 H new ATOM 0 HA GLU A 35 13.428 -0.719 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.262 0.922 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.406 -0.203 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.405 -2.079 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.143 -1.034 -0.439 1.00 0.00 H new ATOM 521 N LEU A 36 14.226 -2.828 2.671 1.00 0.00 N ATOM 522 CA LEU A 36 14.563 -4.140 3.230 1.00 0.00 C ATOM 523 C LEU A 36 14.800 -5.172 2.116 1.00 0.00 C ATOM 524 O LEU A 36 14.572 -4.916 0.935 1.00 0.00 O ATOM 525 CB LEU A 36 13.449 -4.613 4.190 1.00 0.00 C ATOM 526 CG LEU A 36 13.333 -3.789 5.489 1.00 0.00 C ATOM 527 CD1 LEU A 36 12.086 -2.900 5.487 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.267 -4.708 6.716 1.00 0.00 C ATOM 0 H LEU A 36 13.463 -2.877 1.996 1.00 0.00 H new ATOM 0 HA LEU A 36 15.491 -4.044 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.494 -4.577 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.630 -5.656 4.451 1.00 0.00 H new ATOM 0 HG LEU A 36 14.222 -3.161 5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.040 -2.336 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.133 -2.209 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.196 -3.522 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.186 -4.104 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.397 -5.360 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.171 -5.314 6.766 1.00 0.00 H new ATOM 540 N GLN A 37 15.229 -6.373 2.502 1.00 0.00 N ATOM 541 CA GLN A 37 15.207 -7.565 1.663 1.00 0.00 C ATOM 542 C GLN A 37 14.691 -8.769 2.459 1.00 0.00 C ATOM 543 O GLN A 37 15.024 -8.928 3.636 1.00 0.00 O ATOM 544 CB GLN A 37 16.590 -7.794 1.028 1.00 0.00 C ATOM 545 CG GLN A 37 17.688 -8.170 2.039 1.00 0.00 C ATOM 546 CD GLN A 37 19.089 -8.083 1.446 1.00 0.00 C ATOM 547 OE1 GLN A 37 19.961 -7.396 1.968 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.369 -8.772 0.357 1.00 0.00 N ATOM 0 H GLN A 37 15.611 -6.546 3.432 1.00 0.00 H new ATOM 0 HA GLN A 37 14.509 -7.424 0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.510 -8.586 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.891 -6.889 0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.622 -7.509 2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.513 -9.184 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.649 -9.346 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.305 -8.731 -0.046 1.00 0.00 H new ATOM 557 N TYR A 38 13.861 -9.606 1.829 1.00 0.00 N ATOM 558 CA TYR A 38 13.306 -10.808 2.452 1.00 0.00 C ATOM 559 C TYR A 38 14.245 -11.998 2.226 1.00 0.00 C ATOM 560 O TYR A 38 14.316 -12.550 1.129 1.00 0.00 O ATOM 561 CB TYR A 38 11.894 -11.076 1.925 1.00 0.00 C ATOM 562 CG TYR A 38 11.160 -12.149 2.708 1.00 0.00 C ATOM 563 CD1 TYR A 38 10.566 -11.813 3.937 1.00 0.00 C ATOM 564 CD2 TYR A 38 11.088 -13.475 2.237 1.00 0.00 C ATOM 565 CE1 TYR A 38 9.907 -12.792 4.701 1.00 0.00 C ATOM 566 CE2 TYR A 38 10.415 -14.457 2.988 1.00 0.00 C ATOM 567 CZ TYR A 38 9.832 -14.119 4.230 1.00 0.00 C ATOM 568 OH TYR A 38 9.209 -15.067 4.979 1.00 0.00 O ATOM 0 H TYR A 38 13.554 -9.466 0.866 1.00 0.00 H new ATOM 0 HA TYR A 38 13.224 -10.655 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.318 -10.151 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.954 -11.375 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.616 -10.796 4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.550 -13.739 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.459 -12.528 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.344 -15.468 2.615 1.00 0.00 H new ATOM 0 HH TYR A 38 9.387 -15.953 4.600 1.00 0.00 H new ATOM 578 N THR A 39 15.002 -12.367 3.261 1.00 0.00 N ATOM 579 CA THR A 39 15.995 -13.449 3.240 1.00 0.00 C ATOM 580 C THR A 39 15.382 -14.846 3.398 1.00 0.00 C ATOM 581 O THR A 39 16.087 -15.835 3.200 1.00 0.00 O ATOM 582 CB THR A 39 17.058 -13.214 4.329 1.00 0.00 C ATOM 583 OG1 THR A 39 16.457 -12.954 5.580 1.00 0.00 O ATOM 584 CG2 THR A 39 17.942 -12.009 3.999 1.00 0.00 C ATOM 0 H THR A 39 14.940 -11.907 4.169 1.00 0.00 H new ATOM 0 HA THR A 39 16.456 -13.423 2.253 1.00 0.00 H new ATOM 0 HB THR A 39 17.656 -14.124 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.154 -12.810 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.681 -11.873 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.452 -12.180 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.324 -11.115 3.922 1.00 0.00 H new ATOM 592 N GLY A 40 14.086 -14.955 3.719 1.00 0.00 N ATOM 593 CA GLY A 40 13.370 -16.233 3.762 1.00 0.00 C ATOM 594 C GLY A 40 13.078 -16.814 2.374 1.00 0.00 C ATOM 595 O GLY A 40 13.140 -16.119 1.360 1.00 0.00 O ATOM 0 H GLY A 40 13.503 -14.153 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.959 -16.952 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.430 -16.096 4.296 1.00 0.00 H new ATOM 599 N THR A 41 12.694 -18.095 2.339 1.00 0.00 N ATOM 600 CA THR A 41 12.277 -18.847 1.125 1.00 0.00 C ATOM 601 C THR A 41 10.819 -19.338 1.266 1.00 0.00 C ATOM 602 O THR A 41 10.334 -20.185 0.525 1.00 0.00 O ATOM 603 CB THR A 41 13.287 -19.981 0.844 1.00 0.00 C ATOM 604 OG1 THR A 41 14.586 -19.430 0.830 1.00 0.00 O ATOM 605 CG2 THR A 41 13.143 -20.678 -0.513 1.00 0.00 C ATOM 0 H THR A 41 12.660 -18.668 3.182 1.00 0.00 H new ATOM 0 HA THR A 41 12.288 -18.191 0.255 1.00 0.00 H new ATOM 0 HB THR A 41 13.098 -20.716 1.627 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.240 -20.138 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.901 -21.456 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.152 -21.126 -0.589 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.273 -19.948 -1.312 1.00 0.00 H new ATOM 613 N ASP A 42 10.133 -18.817 2.283 1.00 0.00 N ATOM 614 CA ASP A 42 8.970 -19.375 2.956 1.00 0.00 C ATOM 615 C ASP A 42 8.174 -18.256 3.661 1.00 0.00 C ATOM 616 O ASP A 42 8.573 -17.090 3.637 1.00 0.00 O ATOM 617 CB ASP A 42 9.500 -20.391 3.983 1.00 0.00 C ATOM 618 CG ASP A 42 10.292 -19.703 5.102 1.00 0.00 C ATOM 619 OD1 ASP A 42 11.363 -19.091 4.838 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.788 -19.708 6.248 1.00 0.00 O ATOM 0 H ASP A 42 10.402 -17.920 2.687 1.00 0.00 H new ATOM 0 HA ASP A 42 8.296 -19.856 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.665 -20.943 4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.137 -21.119 3.480 1.00 0.00 H new ATOM 625 N GLY A 43 7.088 -18.613 4.351 1.00 0.00 N ATOM 626 CA GLY A 43 6.422 -17.748 5.330 1.00 0.00 C ATOM 627 C GLY A 43 5.443 -16.693 4.787 1.00 0.00 C ATOM 628 O GLY A 43 5.622 -15.520 5.111 1.00 0.00 O ATOM 0 H GLY A 43 6.640 -19.523 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.879 -18.385 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.192 -17.231 5.903 1.00 0.00 H new ATOM 632 N PRO A 44 4.369 -17.068 4.057 1.00 0.00 N ATOM 633 CA PRO A 44 3.156 -16.249 3.943 1.00 0.00 C ATOM 634 C PRO A 44 2.626 -15.844 5.337 1.00 0.00 C ATOM 635 O PRO A 44 2.192 -16.710 6.098 1.00 0.00 O ATOM 636 CB PRO A 44 2.140 -17.099 3.165 1.00 0.00 C ATOM 637 CG PRO A 44 2.993 -18.138 2.445 1.00 0.00 C ATOM 638 CD PRO A 44 4.168 -18.347 3.396 1.00 0.00 C ATOM 0 HA PRO A 44 3.352 -15.312 3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.420 -17.570 3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.571 -16.493 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.442 -19.063 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.323 -17.781 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.951 -19.132 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.062 -18.652 2.853 1.00 0.00 H new ATOM 646 N CYS A 45 2.740 -14.565 5.724 1.00 0.00 N ATOM 647 CA CYS A 45 2.571 -14.138 7.122 1.00 0.00 C ATOM 648 C CYS A 45 2.321 -12.622 7.287 1.00 0.00 C ATOM 649 O CYS A 45 2.726 -11.814 6.452 1.00 0.00 O ATOM 650 CB CYS A 45 3.826 -14.575 7.898 1.00 0.00 C ATOM 651 SG CYS A 45 3.488 -15.406 9.472 1.00 0.00 S ATOM 0 H CYS A 45 2.951 -13.801 5.082 1.00 0.00 H new ATOM 0 HA CYS A 45 1.673 -14.613 7.518 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.412 -15.244 7.268 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.442 -13.697 8.091 1.00 0.00 H new ATOM 656 N LYS A 46 1.680 -12.200 8.387 1.00 0.00 N ATOM 657 CA LYS A 46 1.384 -10.793 8.721 1.00 0.00 C ATOM 658 C LYS A 46 2.628 -10.141 9.338 1.00 0.00 C ATOM 659 O LYS A 46 2.828 -10.225 10.548 1.00 0.00 O ATOM 660 CB LYS A 46 0.107 -10.760 9.598 1.00 0.00 C ATOM 661 CG LYS A 46 -0.207 -9.572 10.526 1.00 0.00 C ATOM 662 CD LYS A 46 -0.286 -8.202 9.857 1.00 0.00 C ATOM 663 CE LYS A 46 -1.337 -8.176 8.744 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.384 -6.850 8.107 1.00 0.00 N ATOM 0 H LYS A 46 1.340 -12.850 9.096 1.00 0.00 H new ATOM 0 HA LYS A 46 1.162 -10.191 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.742 -10.867 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.131 -11.652 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.157 -9.767 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.557 -9.531 11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.528 -7.446 10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.688 -7.942 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.103 -8.936 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.316 -8.423 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.946 -6.904 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.822 -6.167 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.418 -6.540 7.879 1.00 0.00 H new ATOM 678 N VAL A 47 3.473 -9.527 8.495 1.00 0.00 N ATOM 679 CA VAL A 47 4.726 -8.874 8.916 1.00 0.00 C ATOM 680 C VAL A 47 4.476 -7.764 9.952 1.00 0.00 C ATOM 681 O VAL A 47 3.836 -6.760 9.636 1.00 0.00 O ATOM 682 CB VAL A 47 5.624 -8.394 7.749 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.906 -7.626 6.637 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.805 -7.540 8.240 1.00 0.00 C ATOM 0 H VAL A 47 3.305 -9.468 7.491 1.00 0.00 H new ATOM 0 HA VAL A 47 5.303 -9.659 9.404 1.00 0.00 H new ATOM 0 HB VAL A 47 5.976 -9.330 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.626 -7.337 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.139 -8.261 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.441 -6.733 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.407 -7.226 7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.426 -6.660 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.420 -8.127 8.921 1.00 0.00 H new ATOM 694 N PRO A 48 4.989 -7.910 11.187 1.00 0.00 N ATOM 695 CA PRO A 48 4.871 -6.895 12.225 1.00 0.00 C ATOM 696 C PRO A 48 5.883 -5.755 12.009 1.00 0.00 C ATOM 697 O PRO A 48 6.944 -5.729 12.629 1.00 0.00 O ATOM 698 CB PRO A 48 5.096 -7.666 13.529 1.00 0.00 C ATOM 699 CG PRO A 48 6.112 -8.732 13.118 1.00 0.00 C ATOM 700 CD PRO A 48 5.676 -9.087 11.708 1.00 0.00 C ATOM 0 HA PRO A 48 3.904 -6.393 12.227 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.482 -7.022 14.319 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.173 -8.109 13.902 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.132 -8.349 13.141 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.081 -9.597 13.781 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.535 -9.343 11.088 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.015 -9.954 11.711 1.00 0.00 H new ATOM 708 N ILE A 49 5.558 -4.795 11.139 1.00 0.00 N ATOM 709 CA ILE A 49 6.282 -3.519 11.020 1.00 0.00 C ATOM 710 C ILE A 49 5.442 -2.385 11.633 1.00 0.00 C ATOM 711 O ILE A 49 4.212 -2.416 11.566 1.00 0.00 O ATOM 712 CB ILE A 49 6.756 -3.271 9.566 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.536 -1.941 9.457 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.600 -3.310 8.550 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.412 -1.815 8.204 1.00 0.00 C ATOM 0 H ILE A 49 4.777 -4.879 10.489 1.00 0.00 H new ATOM 0 HA ILE A 49 7.205 -3.557 11.599 1.00 0.00 H new ATOM 0 HB ILE A 49 7.427 -4.092 9.313 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.824 -1.115 9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.168 -1.832 10.338 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.990 -3.130 7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.120 -4.288 8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.870 -2.539 8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.921 -0.851 8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.151 -2.616 8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.787 -1.888 7.314 1.00 0.00 H new ATOM 727 N SER A 50 6.105 -1.404 12.260 1.00 0.00 N ATOM 728 CA SER A 50 5.483 -0.333 13.048 1.00 0.00 C ATOM 729 C SER A 50 6.342 0.949 13.110 1.00 0.00 C ATOM 730 O SER A 50 7.501 0.968 12.688 1.00 0.00 O ATOM 731 CB SER A 50 5.222 -0.895 14.448 1.00 0.00 C ATOM 732 OG SER A 50 4.633 0.066 15.297 1.00 0.00 O ATOM 0 H SER A 50 7.122 -1.332 12.231 1.00 0.00 H new ATOM 0 HA SER A 50 4.553 -0.027 12.568 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.569 -1.764 14.375 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.161 -1.238 14.883 1.00 0.00 H new ATOM 0 HG SER A 50 4.831 -0.157 16.231 1.00 0.00 H new ATOM 738 N SER A 51 5.752 2.030 13.639 1.00 0.00 N ATOM 739 CA SER A 51 6.300 3.388 13.736 1.00 0.00 C ATOM 740 C SER A 51 5.850 4.062 15.043 1.00 0.00 C ATOM 741 O SER A 51 4.650 4.264 15.265 1.00 0.00 O ATOM 742 CB SER A 51 5.839 4.206 12.525 1.00 0.00 C ATOM 743 OG SER A 51 6.386 5.507 12.573 1.00 0.00 O ATOM 0 H SER A 51 4.815 1.974 14.038 1.00 0.00 H new ATOM 0 HA SER A 51 7.389 3.335 13.743 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.146 3.709 11.604 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.751 4.263 12.509 1.00 0.00 H new ATOM 0 HG SER A 51 5.929 6.078 11.921 1.00 0.00 H new ATOM 749 N VAL A 52 6.805 4.398 15.922 1.00 0.00 N ATOM 750 CA VAL A 52 6.555 5.022 17.236 1.00 0.00 C ATOM 751 C VAL A 52 7.588 6.099 17.593 1.00 0.00 C ATOM 752 O VAL A 52 8.613 6.233 16.930 1.00 0.00 O ATOM 753 CB VAL A 52 6.463 3.967 18.359 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.176 3.152 18.247 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.671 3.025 18.429 1.00 0.00 C ATOM 0 H VAL A 52 7.796 4.241 15.738 1.00 0.00 H new ATOM 0 HA VAL A 52 5.590 5.521 17.150 1.00 0.00 H new ATOM 0 HB VAL A 52 6.457 4.538 19.287 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.139 2.417 19.051 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.316 3.817 18.324 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.153 2.639 17.286 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.531 2.314 19.243 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.766 2.485 17.487 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.576 3.606 18.607 1.00 0.00 H new ATOM 765 N ALA A 53 7.323 6.871 18.656 1.00 0.00 N ATOM 766 CA ALA A 53 8.127 8.034 19.048 1.00 0.00 C ATOM 767 C ALA A 53 9.018 7.810 20.289 1.00 0.00 C ATOM 768 O ALA A 53 9.753 8.707 20.703 1.00 0.00 O ATOM 769 CB ALA A 53 7.187 9.232 19.232 1.00 0.00 C ATOM 0 H ALA A 53 6.531 6.701 19.276 1.00 0.00 H new ATOM 0 HA ALA A 53 8.840 8.225 18.246 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.767 10.108 19.524 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.669 9.436 18.295 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.456 9.005 20.008 1.00 0.00 H new ATOM 775 N SER A 54 8.949 6.644 20.945 1.00 0.00 N ATOM 776 CA SER A 54 9.780 6.317 22.120 1.00 0.00 C ATOM 777 C SER A 54 9.976 4.802 22.300 1.00 0.00 C ATOM 778 O SER A 54 10.082 4.317 23.422 1.00 0.00 O ATOM 779 CB SER A 54 9.175 6.969 23.373 1.00 0.00 C ATOM 780 OG SER A 54 9.271 8.378 23.266 1.00 0.00 O ATOM 0 H SER A 54 8.312 5.894 20.677 1.00 0.00 H new ATOM 0 HA SER A 54 10.777 6.725 21.956 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.132 6.672 23.483 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.700 6.625 24.264 1.00 0.00 H new ATOM 0 HG SER A 54 9.755 8.612 22.447 1.00 0.00 H new ATOM 786 N LEU A 55 9.987 4.041 21.193 1.00 0.00 N ATOM 787 CA LEU A 55 10.059 2.565 21.142 1.00 0.00 C ATOM 788 C LEU A 55 8.877 1.845 21.838 1.00 0.00 C ATOM 789 O LEU A 55 8.855 0.621 21.949 1.00 0.00 O ATOM 790 CB LEU A 55 11.448 2.075 21.625 1.00 0.00 C ATOM 791 CG LEU A 55 12.210 1.227 20.585 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.648 0.996 21.057 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.558 -0.136 20.336 1.00 0.00 C ATOM 0 H LEU A 55 9.944 4.455 20.262 1.00 0.00 H new ATOM 0 HA LEU A 55 9.948 2.279 20.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.056 2.940 21.889 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.319 1.487 22.534 1.00 0.00 H new ATOM 0 HG LEU A 55 12.188 1.787 19.650 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.181 0.397 20.319 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.150 1.956 21.177 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.638 0.471 22.012 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.138 -0.687 19.596 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.529 -0.701 21.268 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.543 0.008 19.967 1.00 0.00 H new ATOM 805 N ASN A 56 7.860 2.604 22.253 1.00 0.00 N ATOM 806 CA ASN A 56 6.613 2.221 22.913 1.00 0.00 C ATOM 807 C ASN A 56 5.641 1.447 21.992 1.00 0.00 C ATOM 808 O ASN A 56 4.448 1.747 21.941 1.00 0.00 O ATOM 809 CB ASN A 56 6.005 3.522 23.473 1.00 0.00 C ATOM 810 CG ASN A 56 5.700 4.558 22.391 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.597 5.141 21.789 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.436 4.800 22.111 1.00 0.00 N ATOM 0 H ASN A 56 7.897 3.614 22.119 1.00 0.00 H new ATOM 0 HA ASN A 56 6.812 1.510 23.715 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.086 3.285 24.009 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.694 3.955 24.198 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.195 5.478 21.388 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.699 4.310 22.617 1.00 0.00 H new ATOM 819 N ASP A 57 6.149 0.451 21.257 1.00 0.00 N ATOM 820 CA ASP A 57 5.511 -0.180 20.091 1.00 0.00 C ATOM 821 C ASP A 57 4.179 -0.908 20.362 1.00 0.00 C ATOM 822 O ASP A 57 3.460 -1.259 19.430 1.00 0.00 O ATOM 823 CB ASP A 57 6.537 -1.084 19.390 1.00 0.00 C ATOM 824 CG ASP A 57 6.240 -1.227 17.896 1.00 0.00 C ATOM 825 OD1 ASP A 57 5.907 -0.192 17.268 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.387 -2.348 17.369 1.00 0.00 O ATOM 0 H ASP A 57 7.059 0.042 21.467 1.00 0.00 H new ATOM 0 HA ASP A 57 5.205 0.633 19.432 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.537 -0.671 19.524 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.533 -2.069 19.857 1.00 0.00 H new ATOM 831 N LEU A 58 3.794 -1.039 21.635 1.00 0.00 N ATOM 832 CA LEU A 58 2.435 -1.367 22.079 1.00 0.00 C ATOM 833 C LEU A 58 1.382 -0.354 21.590 1.00 0.00 C ATOM 834 O LEU A 58 0.195 -0.668 21.560 1.00 0.00 O ATOM 835 CB LEU A 58 2.398 -1.377 23.619 1.00 0.00 C ATOM 836 CG LEU A 58 3.387 -2.326 24.324 1.00 0.00 C ATOM 837 CD1 LEU A 58 3.290 -2.105 25.836 1.00 0.00 C ATOM 838 CD2 LEU A 58 3.094 -3.796 24.017 1.00 0.00 C ATOM 0 H LEU A 58 4.443 -0.915 22.412 1.00 0.00 H new ATOM 0 HA LEU A 58 2.191 -2.341 21.656 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.588 -0.363 23.972 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.388 -1.640 23.934 1.00 0.00 H new ATOM 0 HG LEU A 58 4.388 -2.102 23.956 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.985 -2.771 26.346 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.541 -1.070 26.069 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.274 -2.316 26.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.816 -4.427 24.535 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.088 -4.044 24.354 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.169 -3.965 22.943 1.00 0.00 H new ATOM 850 N THR A 59 1.791 0.883 21.278 1.00 0.00 N ATOM 851 CA THR A 59 0.918 2.009 20.923 1.00 0.00 C ATOM 852 C THR A 59 1.461 2.698 19.663 1.00 0.00 C ATOM 853 O THR A 59 2.356 3.535 19.786 1.00 0.00 O ATOM 854 CB THR A 59 0.823 2.997 22.099 1.00 0.00 C ATOM 855 OG1 THR A 59 0.383 2.312 23.248 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.176 4.127 21.844 1.00 0.00 C ATOM 0 H THR A 59 2.779 1.136 21.266 1.00 0.00 H new ATOM 0 HA THR A 59 -0.087 1.642 20.713 1.00 0.00 H new ATOM 0 HB THR A 59 1.817 3.426 22.225 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.323 2.938 23.999 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.201 4.792 22.707 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.128 4.689 20.961 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.168 3.706 21.682 1.00 0.00 H new ATOM 864 N PRO A 60 0.965 2.363 18.453 1.00 0.00 N ATOM 865 CA PRO A 60 1.485 2.906 17.198 1.00 0.00 C ATOM 866 C PRO A 60 1.188 4.410 17.086 1.00 0.00 C ATOM 867 O PRO A 60 0.035 4.833 17.167 1.00 0.00 O ATOM 868 CB PRO A 60 0.827 2.075 16.093 1.00 0.00 C ATOM 869 CG PRO A 60 -0.499 1.639 16.713 1.00 0.00 C ATOM 870 CD PRO A 60 -0.134 1.444 18.186 1.00 0.00 C ATOM 0 HA PRO A 60 2.570 2.834 17.128 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.672 2.662 15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.441 1.218 15.816 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.274 2.395 16.585 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.873 0.719 16.263 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.987 1.658 18.831 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.163 0.414 18.381 1.00 0.00 H new ATOM 878 N VAL A 61 2.238 5.222 16.906 1.00 0.00 N ATOM 879 CA VAL A 61 2.152 6.697 16.847 1.00 0.00 C ATOM 880 C VAL A 61 2.307 7.206 15.402 1.00 0.00 C ATOM 881 O VAL A 61 1.816 8.282 15.054 1.00 0.00 O ATOM 882 CB VAL A 61 3.176 7.354 17.807 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.915 8.856 17.981 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.177 6.731 19.211 1.00 0.00 C ATOM 0 H VAL A 61 3.190 4.872 16.795 1.00 0.00 H new ATOM 0 HA VAL A 61 1.159 6.992 17.185 1.00 0.00 H new ATOM 0 HB VAL A 61 4.142 7.180 17.332 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.655 9.277 18.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.988 9.352 17.013 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.917 9.007 18.392 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.916 7.236 19.833 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.189 6.841 19.659 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.427 5.672 19.139 1.00 0.00 H new ATOM 894 N GLY A 62 2.928 6.395 14.542 1.00 0.00 N ATOM 895 CA GLY A 62 2.941 6.504 13.089 1.00 0.00 C ATOM 896 C GLY A 62 2.163 5.363 12.426 1.00 0.00 C ATOM 897 O GLY A 62 1.475 4.588 13.097 1.00 0.00 O ATOM 0 H GLY A 62 3.469 5.594 14.868 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.508 7.459 12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.971 6.496 12.733 1.00 0.00 H new ATOM 901 N ARG A 63 2.273 5.244 11.099 1.00 0.00 N ATOM 902 CA ARG A 63 1.586 4.228 10.284 1.00 0.00 C ATOM 903 C ARG A 63 2.490 3.631 9.205 1.00 0.00 C ATOM 904 O ARG A 63 3.588 4.127 8.946 1.00 0.00 O ATOM 905 CB ARG A 63 0.319 4.830 9.646 1.00 0.00 C ATOM 906 CG ARG A 63 0.649 6.010 8.713 1.00 0.00 C ATOM 907 CD ARG A 63 -0.425 6.293 7.668 1.00 0.00 C ATOM 908 NE ARG A 63 -1.734 6.433 8.301 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.328 7.518 8.758 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.813 8.723 8.686 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.489 7.341 9.335 1.00 0.00 N ATOM 0 H ARG A 63 2.858 5.868 10.543 1.00 0.00 H new ATOM 0 HA ARG A 63 1.308 3.413 10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.205 4.058 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.358 5.167 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.800 6.905 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.591 5.806 8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.179 7.205 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.453 5.484 6.938 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.264 5.568 8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.899 8.862 8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.327 9.521 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.883 6.403 9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.000 8.141 9.710 1.00 0.00 H new ATOM 925 N LEU A 64 1.966 2.603 8.538 1.00 0.00 N ATOM 926 CA LEU A 64 2.493 2.015 7.312 1.00 0.00 C ATOM 927 C LEU A 64 1.769 2.699 6.145 1.00 0.00 C ATOM 928 O LEU A 64 0.540 2.779 6.164 1.00 0.00 O ATOM 929 CB LEU A 64 2.260 0.487 7.303 1.00 0.00 C ATOM 930 CG LEU A 64 2.647 -0.317 8.566 1.00 0.00 C ATOM 931 CD1 LEU A 64 3.931 0.171 9.244 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.519 -0.393 9.604 1.00 0.00 C ATOM 0 H LEU A 64 1.118 2.135 8.857 1.00 0.00 H new ATOM 0 HA LEU A 64 3.569 2.168 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.202 0.312 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.812 0.071 6.461 1.00 0.00 H new ATOM 0 HG LEU A 64 2.834 -1.320 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.135 -0.443 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.764 0.093 8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.809 1.210 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.855 -0.970 10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.251 0.614 9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.648 -0.876 9.161 1.00 0.00 H new ATOM 944 N VAL A 65 2.508 3.251 5.177 1.00 0.00 N ATOM 945 CA VAL A 65 1.936 4.144 4.154 1.00 0.00 C ATOM 946 C VAL A 65 1.656 3.398 2.847 1.00 0.00 C ATOM 947 O VAL A 65 0.600 3.613 2.261 1.00 0.00 O ATOM 948 CB VAL A 65 2.838 5.380 3.955 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.409 6.277 2.787 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.873 6.236 5.228 1.00 0.00 C ATOM 0 H VAL A 65 3.511 3.096 5.077 1.00 0.00 H new ATOM 0 HA VAL A 65 0.969 4.502 4.507 1.00 0.00 H new ATOM 0 HB VAL A 65 3.825 4.979 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.090 7.124 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.435 5.705 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.396 6.640 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.514 7.102 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.864 6.571 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.265 5.643 6.054 1.00 0.00 H new ATOM 960 N THR A 66 2.555 2.512 2.396 1.00 0.00 N ATOM 961 CA THR A 66 2.412 1.815 1.105 1.00 0.00 C ATOM 962 C THR A 66 1.176 0.908 1.038 1.00 0.00 C ATOM 963 O THR A 66 0.449 0.938 0.048 1.00 0.00 O ATOM 964 CB THR A 66 3.651 0.959 0.782 1.00 0.00 C ATOM 965 OG1 THR A 66 4.838 1.623 1.123 1.00 0.00 O ATOM 966 CG2 THR A 66 3.735 0.579 -0.697 1.00 0.00 C ATOM 0 H THR A 66 3.398 2.258 2.911 1.00 0.00 H new ATOM 0 HA THR A 66 2.299 2.611 0.370 1.00 0.00 H new ATOM 0 HB THR A 66 3.539 0.054 1.378 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.870 2.490 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.627 -0.024 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.851 0.006 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.787 1.484 -1.303 1.00 0.00 H new ATOM 974 N VAL A 67 0.980 0.036 2.041 1.00 0.00 N ATOM 975 CA VAL A 67 0.039 -1.099 1.985 1.00 0.00 C ATOM 976 C VAL A 67 -0.244 -1.665 3.389 1.00 0.00 C ATOM 977 O VAL A 67 0.497 -1.391 4.335 1.00 0.00 O ATOM 978 CB VAL A 67 0.621 -2.175 1.026 1.00 0.00 C ATOM 979 CG1 VAL A 67 1.920 -2.819 1.539 1.00 0.00 C ATOM 980 CG2 VAL A 67 -0.379 -3.279 0.653 1.00 0.00 C ATOM 0 H VAL A 67 1.478 0.100 2.929 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.923 -0.762 1.599 1.00 0.00 H new ATOM 0 HB VAL A 67 0.852 -1.607 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.268 -3.560 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.682 -2.050 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.732 -3.305 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.100 -3.992 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.706 -3.794 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.242 -2.836 0.156 1.00 0.00 H new ATOM 990 N ASN A 68 -1.280 -2.510 3.519 1.00 0.00 N ATOM 991 CA ASN A 68 -1.452 -3.424 4.653 1.00 0.00 C ATOM 992 C ASN A 68 -0.189 -4.298 4.795 1.00 0.00 C ATOM 993 O ASN A 68 0.182 -4.967 3.830 1.00 0.00 O ATOM 994 CB ASN A 68 -2.697 -4.302 4.426 1.00 0.00 C ATOM 995 CG ASN A 68 -2.959 -5.281 5.568 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.551 -6.437 5.564 1.00 0.00 O ATOM 997 ND2 ASN A 68 -3.628 -4.852 6.612 1.00 0.00 N ATOM 0 H ASN A 68 -2.029 -2.576 2.830 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.594 -2.855 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.568 -3.660 4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.575 -4.861 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.800 -5.477 7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.976 -3.894 6.636 1.00 0.00 H new ATOM 1004 N PRO A 69 0.490 -4.315 5.954 1.00 0.00 N ATOM 1005 CA PRO A 69 1.755 -5.025 6.100 1.00 0.00 C ATOM 1006 C PRO A 69 1.533 -6.545 6.167 1.00 0.00 C ATOM 1007 O PRO A 69 1.222 -7.069 7.234 1.00 0.00 O ATOM 1008 CB PRO A 69 2.379 -4.437 7.371 1.00 0.00 C ATOM 1009 CG PRO A 69 1.174 -4.038 8.221 1.00 0.00 C ATOM 1010 CD PRO A 69 0.171 -3.572 7.169 1.00 0.00 C ATOM 0 HA PRO A 69 2.422 -4.895 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.005 -5.167 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.011 -3.578 7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.792 -4.877 8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.420 -3.245 8.927 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.852 -3.769 7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.251 -2.498 7.002 1.00 0.00 H new ATOM 1018 N PHE A 70 1.655 -7.266 5.045 1.00 0.00 N ATOM 1019 CA PHE A 70 1.725 -8.733 5.039 1.00 0.00 C ATOM 1020 C PHE A 70 2.624 -9.276 3.921 1.00 0.00 C ATOM 1021 O PHE A 70 2.659 -8.754 2.809 1.00 0.00 O ATOM 1022 CB PHE A 70 0.329 -9.376 5.029 1.00 0.00 C ATOM 1023 CG PHE A 70 -0.460 -9.323 3.731 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -1.008 -8.109 3.279 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -0.712 -10.505 3.010 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.796 -8.071 2.116 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -1.518 -10.474 1.857 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.056 -9.256 1.407 1.00 0.00 C ATOM 0 H PHE A 70 1.708 -6.849 4.116 1.00 0.00 H new ATOM 0 HA PHE A 70 2.199 -9.023 5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.439 -10.423 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.268 -8.896 5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.822 -7.199 3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.285 -11.440 3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.201 -7.132 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.723 -11.387 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.668 -9.231 0.518 1.00 0.00 H new ATOM 1038 N VAL A 71 3.348 -10.352 4.241 1.00 0.00 N ATOM 1039 CA VAL A 71 4.104 -11.203 3.326 1.00 0.00 C ATOM 1040 C VAL A 71 3.087 -12.137 2.672 1.00 0.00 C ATOM 1041 O VAL A 71 2.675 -13.124 3.274 1.00 0.00 O ATOM 1042 CB VAL A 71 5.197 -12.006 4.078 1.00 0.00 C ATOM 1043 CG1 VAL A 71 6.157 -12.667 3.086 1.00 0.00 C ATOM 1044 CG2 VAL A 71 6.027 -11.130 5.026 1.00 0.00 C ATOM 0 H VAL A 71 3.425 -10.670 5.207 1.00 0.00 H new ATOM 0 HA VAL A 71 4.627 -10.606 2.579 1.00 0.00 H new ATOM 0 HB VAL A 71 4.668 -12.756 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.917 -13.226 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.601 -13.346 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.637 -11.900 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.777 -11.744 5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.523 -10.345 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.372 -10.679 5.771 1.00 0.00 H new ATOM 1054 N SER A 72 2.598 -11.788 1.481 1.00 0.00 N ATOM 1055 CA SER A 72 1.491 -12.503 0.832 1.00 0.00 C ATOM 1056 C SER A 72 1.841 -13.910 0.327 1.00 0.00 C ATOM 1057 O SER A 72 0.933 -14.723 0.155 1.00 0.00 O ATOM 1058 CB SER A 72 0.956 -11.654 -0.324 1.00 0.00 C ATOM 1059 OG SER A 72 1.991 -11.349 -1.238 1.00 0.00 O ATOM 0 H SER A 72 2.956 -11.003 0.937 1.00 0.00 H new ATOM 0 HA SER A 72 0.734 -12.653 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.157 -12.190 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.523 -10.732 0.065 1.00 0.00 H new ATOM 0 HG SER A 72 1.631 -10.807 -1.971 1.00 0.00 H new ATOM 1065 N VAL A 73 3.129 -14.201 0.091 1.00 0.00 N ATOM 1066 CA VAL A 73 3.630 -15.410 -0.580 1.00 0.00 C ATOM 1067 C VAL A 73 5.033 -15.803 -0.090 1.00 0.00 C ATOM 1068 O VAL A 73 5.808 -14.953 0.339 1.00 0.00 O ATOM 1069 CB VAL A 73 3.684 -15.200 -2.113 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.293 -15.195 -2.758 1.00 0.00 C ATOM 1071 CG2 VAL A 73 4.416 -13.913 -2.529 1.00 0.00 C ATOM 0 H VAL A 73 3.882 -13.574 0.374 1.00 0.00 H new ATOM 0 HA VAL A 73 2.936 -16.213 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 73 4.251 -16.057 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.391 -15.044 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.801 -16.149 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.697 -14.388 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.416 -13.830 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.908 -13.050 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.444 -13.946 -2.168 1.00 0.00 H new ATOM 1081 N ALA A 74 5.405 -17.081 -0.245 1.00 0.00 N ATOM 1082 CA ALA A 74 6.768 -17.574 -0.006 1.00 0.00 C ATOM 1083 C ALA A 74 7.798 -17.038 -1.024 1.00 0.00 C ATOM 1084 O ALA A 74 8.992 -16.969 -0.728 1.00 0.00 O ATOM 1085 CB ALA A 74 6.730 -19.105 -0.048 1.00 0.00 C ATOM 0 H ALA A 74 4.759 -17.811 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 74 7.096 -17.211 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.731 -19.499 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.055 -19.474 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.377 -19.434 -1.025 1.00 0.00 H new ATOM 1091 N THR A 75 7.331 -16.618 -2.207 1.00 0.00 N ATOM 1092 CA THR A 75 8.109 -15.987 -3.282 1.00 0.00 C ATOM 1093 C THR A 75 8.410 -14.498 -3.036 1.00 0.00 C ATOM 1094 O THR A 75 8.950 -13.825 -3.909 1.00 0.00 O ATOM 1095 CB THR A 75 7.408 -16.177 -4.638 1.00 0.00 C ATOM 1096 OG1 THR A 75 6.034 -15.884 -4.534 1.00 0.00 O ATOM 1097 CG2 THR A 75 7.524 -17.620 -5.134 1.00 0.00 C ATOM 0 H THR A 75 6.346 -16.715 -2.454 1.00 0.00 H new ATOM 0 HA THR A 75 9.074 -16.494 -3.294 1.00 0.00 H new ATOM 0 HB THR A 75 7.899 -15.500 -5.337 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.606 -16.009 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.017 -17.717 -6.094 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.576 -17.881 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.062 -18.292 -4.411 1.00 0.00 H new ATOM 1105 N ALA A 76 8.106 -13.961 -1.846 1.00 0.00 N ATOM 1106 CA ALA A 76 8.339 -12.569 -1.445 1.00 0.00 C ATOM 1107 C ALA A 76 9.825 -12.158 -1.310 1.00 0.00 C ATOM 1108 O ALA A 76 10.106 -11.095 -0.761 1.00 0.00 O ATOM 1109 CB ALA A 76 7.587 -12.335 -0.128 1.00 0.00 C ATOM 0 H ALA A 76 7.672 -14.511 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 76 7.967 -11.934 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.739 -11.307 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.523 -12.514 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.965 -13.018 0.633 1.00 0.00 H new ATOM 1115 N ASN A 77 10.775 -12.968 -1.801 1.00 0.00 N ATOM 1116 CA ASN A 77 12.238 -12.950 -1.586 1.00 0.00 C ATOM 1117 C ASN A 77 12.973 -11.706 -2.146 1.00 0.00 C ATOM 1118 O ASN A 77 14.182 -11.735 -2.377 1.00 0.00 O ATOM 1119 CB ASN A 77 12.848 -14.265 -2.136 1.00 0.00 C ATOM 1120 CG ASN A 77 11.889 -15.445 -2.078 1.00 0.00 C ATOM 1121 OD1 ASN A 77 11.290 -15.800 -3.076 1.00 0.00 O ATOM 1122 ND2 ASN A 77 11.620 -16.003 -0.918 1.00 0.00 N ATOM 0 H ASN A 77 10.515 -13.733 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 77 12.390 -12.878 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.159 -14.109 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.745 -14.507 -1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.910 -16.733 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.121 -15.706 -0.081 1.00 0.00 H new ATOM 1129 N ALA A 78 12.240 -10.626 -2.423 1.00 0.00 N ATOM 1130 CA ALA A 78 12.716 -9.403 -3.045 1.00 0.00 C ATOM 1131 C ALA A 78 13.599 -8.550 -2.118 1.00 0.00 C ATOM 1132 O ALA A 78 13.559 -8.656 -0.890 1.00 0.00 O ATOM 1133 CB ALA A 78 11.484 -8.604 -3.493 1.00 0.00 C ATOM 0 H ALA A 78 11.244 -10.586 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 78 13.352 -9.669 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.805 -7.676 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.907 -9.194 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.864 -8.374 -2.626 1.00 0.00 H new ATOM 1139 N LYS A 79 14.326 -7.625 -2.754 1.00 0.00 N ATOM 1140 CA LYS A 79 14.937 -6.414 -2.201 1.00 0.00 C ATOM 1141 C LYS A 79 13.984 -5.265 -2.543 1.00 0.00 C ATOM 1142 O LYS A 79 13.774 -4.985 -3.723 1.00 0.00 O ATOM 1143 CB LYS A 79 16.345 -6.294 -2.815 1.00 0.00 C ATOM 1144 CG LYS A 79 17.160 -5.049 -2.433 1.00 0.00 C ATOM 1145 CD LYS A 79 16.782 -3.792 -3.235 1.00 0.00 C ATOM 1146 CE LYS A 79 17.948 -2.798 -3.276 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.554 -1.529 -3.927 1.00 0.00 N ATOM 0 H LYS A 79 14.517 -7.713 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 79 15.073 -6.416 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.917 -7.176 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.246 -6.316 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.021 -4.847 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.219 -5.259 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.503 -4.074 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.910 -3.317 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.292 -2.597 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.786 -3.240 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.185 -0.766 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.626 -1.632 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.574 -1.296 -3.669 1.00 0.00 H new ATOM 1161 N VAL A 80 13.323 -4.690 -1.534 1.00 0.00 N ATOM 1162 CA VAL A 80 12.072 -3.934 -1.687 1.00 0.00 C ATOM 1163 C VAL A 80 12.010 -2.703 -0.771 1.00 0.00 C ATOM 1164 O VAL A 80 12.424 -2.733 0.391 1.00 0.00 O ATOM 1165 CB VAL A 80 10.862 -4.880 -1.499 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.853 -5.619 -0.152 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.522 -4.156 -1.692 1.00 0.00 C ATOM 0 H VAL A 80 13.647 -4.737 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 80 12.036 -3.534 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 80 10.982 -5.629 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.975 -6.262 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.754 -6.226 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.824 -4.893 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.703 -4.862 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.436 -3.349 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.474 -3.742 -2.699 1.00 0.00 H new ATOM 1177 N LEU A 81 11.469 -1.619 -1.335 1.00 0.00 N ATOM 1178 CA LEU A 81 11.362 -0.274 -0.776 1.00 0.00 C ATOM 1179 C LEU A 81 9.911 -0.007 -0.356 1.00 0.00 C ATOM 1180 O LEU A 81 8.984 -0.294 -1.113 1.00 0.00 O ATOM 1181 CB LEU A 81 11.895 0.687 -1.862 1.00 0.00 C ATOM 1182 CG LEU A 81 12.032 2.188 -1.543 1.00 0.00 C ATOM 1183 CD1 LEU A 81 10.738 2.974 -1.748 1.00 0.00 C ATOM 1184 CD2 LEU A 81 12.577 2.456 -0.143 1.00 0.00 C ATOM 0 H LEU A 81 11.063 -1.667 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 81 11.951 -0.135 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.878 0.326 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.241 0.595 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 81 12.762 2.546 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.907 4.023 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.421 2.889 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.961 2.572 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.650 3.531 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.906 2.022 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.565 2.007 -0.045 1.00 0.00 H new ATOM 1196 N ILE A 82 9.727 0.500 0.867 1.00 0.00 N ATOM 1197 CA ILE A 82 8.439 0.718 1.536 1.00 0.00 C ATOM 1198 C ILE A 82 8.381 2.154 2.084 1.00 0.00 C ATOM 1199 O ILE A 82 9.410 2.747 2.407 1.00 0.00 O ATOM 1200 CB ILE A 82 8.287 -0.341 2.663 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.248 -1.787 2.100 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.050 -0.130 3.554 1.00 0.00 C ATOM 1203 CD1 ILE A 82 9.457 -2.615 2.551 1.00 0.00 C ATOM 0 H ILE A 82 10.515 0.785 1.449 1.00 0.00 H new ATOM 0 HA ILE A 82 7.610 0.602 0.837 1.00 0.00 H new ATOM 0 HB ILE A 82 9.174 -0.204 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.331 -2.278 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.220 -1.751 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.014 -0.908 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.110 0.846 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.149 -0.178 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.387 -3.619 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.374 -2.140 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.471 -2.675 3.639 1.00 0.00 H new ATOM 1215 N GLU A 83 7.168 2.686 2.252 1.00 0.00 N ATOM 1216 CA GLU A 83 6.883 3.974 2.878 1.00 0.00 C ATOM 1217 C GLU A 83 6.219 3.774 4.250 1.00 0.00 C ATOM 1218 O GLU A 83 5.232 3.041 4.377 1.00 0.00 O ATOM 1219 CB GLU A 83 5.984 4.861 1.997 1.00 0.00 C ATOM 1220 CG GLU A 83 6.550 5.203 0.611 1.00 0.00 C ATOM 1221 CD GLU A 83 6.500 4.025 -0.369 1.00 0.00 C ATOM 1222 OE1 GLU A 83 5.446 3.340 -0.409 1.00 0.00 O ATOM 1223 OE2 GLU A 83 7.523 3.796 -1.048 1.00 0.00 O ATOM 0 H GLU A 83 6.322 2.208 1.941 1.00 0.00 H new ATOM 0 HA GLU A 83 7.839 4.482 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.025 4.360 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.787 5.791 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.989 6.039 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.583 5.534 0.719 1.00 0.00 H new ATOM 1230 N LEU A 84 6.723 4.484 5.264 1.00 0.00 N ATOM 1231 CA LEU A 84 6.155 4.577 6.615 1.00 0.00 C ATOM 1232 C LEU A 84 5.961 6.050 7.006 1.00 0.00 C ATOM 1233 O LEU A 84 6.609 6.937 6.459 1.00 0.00 O ATOM 1234 CB LEU A 84 7.083 3.870 7.628 1.00 0.00 C ATOM 1235 CG LEU A 84 6.620 2.468 8.062 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.767 1.424 6.953 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.459 2.007 9.249 1.00 0.00 C ATOM 0 H LEU A 84 7.576 5.034 5.162 1.00 0.00 H new ATOM 0 HA LEU A 84 5.183 4.083 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.078 3.789 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.174 4.497 8.515 1.00 0.00 H new ATOM 0 HG LEU A 84 5.563 2.550 8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.425 0.455 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.167 1.720 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.814 1.352 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.135 1.014 9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.509 1.972 8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.334 2.705 10.076 1.00 0.00 H new ATOM 1249 N GLU A 85 5.113 6.312 8.003 1.00 0.00 N ATOM 1250 CA GLU A 85 4.933 7.637 8.604 1.00 0.00 C ATOM 1251 C GLU A 85 5.696 7.691 9.943 1.00 0.00 C ATOM 1252 O GLU A 85 5.255 7.065 10.912 1.00 0.00 O ATOM 1253 CB GLU A 85 3.435 7.936 8.767 1.00 0.00 C ATOM 1254 CG GLU A 85 3.140 9.404 9.101 1.00 0.00 C ATOM 1255 CD GLU A 85 1.655 9.620 9.437 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.787 9.302 8.587 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.383 10.072 10.574 1.00 0.00 O ATOM 0 H GLU A 85 4.521 5.596 8.424 1.00 0.00 H new ATOM 0 HA GLU A 85 5.344 8.411 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.916 7.669 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.029 7.303 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.754 9.716 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.418 10.033 8.255 1.00 0.00 H new ATOM 1264 N PRO A 86 6.861 8.363 10.022 1.00 0.00 N ATOM 1265 CA PRO A 86 7.571 8.629 11.264 1.00 0.00 C ATOM 1266 C PRO A 86 6.981 9.880 11.940 1.00 0.00 C ATOM 1267 O PRO A 86 7.042 10.967 11.351 1.00 0.00 O ATOM 1268 CB PRO A 86 9.025 8.863 10.856 1.00 0.00 C ATOM 1269 CG PRO A 86 8.933 9.415 9.442 1.00 0.00 C ATOM 1270 CD PRO A 86 7.559 9.002 8.925 1.00 0.00 C ATOM 0 HA PRO A 86 7.487 7.809 11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.518 9.567 11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.600 7.938 10.885 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.043 10.499 9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.726 9.011 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.004 9.871 8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.655 8.319 8.081 1.00 0.00 H new ATOM 1278 N PRO A 87 6.420 9.774 13.158 1.00 0.00 N ATOM 1279 CA PRO A 87 5.969 10.940 13.911 1.00 0.00 C ATOM 1280 C PRO A 87 7.162 11.786 14.388 1.00 0.00 C ATOM 1281 O PRO A 87 8.300 11.310 14.445 1.00 0.00 O ATOM 1282 CB PRO A 87 5.158 10.367 15.077 1.00 0.00 C ATOM 1283 CG PRO A 87 5.829 9.020 15.332 1.00 0.00 C ATOM 1284 CD PRO A 87 6.240 8.560 13.939 1.00 0.00 C ATOM 0 HA PRO A 87 5.366 11.618 13.307 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.201 11.012 15.954 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.106 10.251 14.818 1.00 0.00 H new ATOM 0 HG2 PRO A 87 6.690 9.119 15.993 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.145 8.314 15.803 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.161 7.978 13.975 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.476 7.920 13.497 1.00 0.00 H new ATOM 1292 N PHE A 88 6.888 13.052 14.724 1.00 0.00 N ATOM 1293 CA PHE A 88 7.879 14.016 15.208 1.00 0.00 C ATOM 1294 C PHE A 88 8.459 13.631 16.581 1.00 0.00 C ATOM 1295 O PHE A 88 7.841 12.884 17.341 1.00 0.00 O ATOM 1296 CB PHE A 88 7.235 15.409 15.274 1.00 0.00 C ATOM 1297 CG PHE A 88 6.703 15.913 13.945 1.00 0.00 C ATOM 1298 CD1 PHE A 88 7.597 16.414 12.981 1.00 0.00 C ATOM 1299 CD2 PHE A 88 5.322 15.887 13.669 1.00 0.00 C ATOM 1300 CE1 PHE A 88 7.118 16.877 11.742 1.00 0.00 C ATOM 1301 CE2 PHE A 88 4.841 16.352 12.432 1.00 0.00 C ATOM 1302 CZ PHE A 88 5.739 16.845 11.468 1.00 0.00 C ATOM 0 H PHE A 88 5.948 13.442 14.665 1.00 0.00 H new ATOM 0 HA PHE A 88 8.713 14.018 14.507 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.417 15.385 15.994 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.971 16.119 15.651 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.656 16.443 13.193 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.631 15.509 14.409 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.808 17.256 11.003 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.782 16.331 12.222 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.369 17.199 10.517 1.00 0.00 H new ATOM 1312 N GLY A 89 9.633 14.186 16.901 1.00 0.00 N ATOM 1313 CA GLY A 89 10.449 13.797 18.050 1.00 0.00 C ATOM 1314 C GLY A 89 11.594 12.883 17.611 1.00 0.00 C ATOM 1315 O GLY A 89 12.108 13.004 16.499 1.00 0.00 O ATOM 0 H GLY A 89 10.050 14.938 16.352 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.852 14.686 18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.830 13.285 18.786 1.00 0.00 H new ATOM 1319 N ASP A 90 12.008 11.957 18.477 1.00 0.00 N ATOM 1320 CA ASP A 90 12.615 10.710 18.006 1.00 0.00 C ATOM 1321 C ASP A 90 11.560 9.900 17.226 1.00 0.00 C ATOM 1322 O ASP A 90 10.377 9.931 17.563 1.00 0.00 O ATOM 1323 CB ASP A 90 13.155 9.915 19.204 1.00 0.00 C ATOM 1324 CG ASP A 90 14.582 10.332 19.567 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.787 11.468 20.072 1.00 0.00 O ATOM 1326 OD2 ASP A 90 15.517 9.547 19.296 1.00 0.00 O ATOM 0 H ASP A 90 11.937 12.043 19.491 1.00 0.00 H new ATOM 0 HA ASP A 90 13.451 10.924 17.340 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.503 10.066 20.064 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.136 8.850 18.972 1.00 0.00 H new ATOM 1331 N SER A 91 11.982 9.169 16.189 1.00 0.00 N ATOM 1332 CA SER A 91 11.082 8.444 15.282 1.00 0.00 C ATOM 1333 C SER A 91 11.630 7.041 15.029 1.00 0.00 C ATOM 1334 O SER A 91 12.581 6.873 14.264 1.00 0.00 O ATOM 1335 CB SER A 91 10.913 9.185 13.949 1.00 0.00 C ATOM 1336 OG SER A 91 10.691 10.574 14.083 1.00 0.00 O ATOM 0 H SER A 91 12.968 9.062 15.952 1.00 0.00 H new ATOM 0 HA SER A 91 10.103 8.378 15.756 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.805 9.028 13.343 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.077 8.745 13.405 1.00 0.00 H new ATOM 0 HG SER A 91 9.773 10.731 14.389 1.00 0.00 H new ATOM 1342 N TYR A 92 11.087 6.030 15.708 1.00 0.00 N ATOM 1343 CA TYR A 92 11.629 4.672 15.720 1.00 0.00 C ATOM 1344 C TYR A 92 10.728 3.714 14.936 1.00 0.00 C ATOM 1345 O TYR A 92 9.503 3.703 15.078 1.00 0.00 O ATOM 1346 CB TYR A 92 11.898 4.220 17.165 1.00 0.00 C ATOM 1347 CG TYR A 92 12.907 5.043 17.968 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.784 5.970 17.359 1.00 0.00 C ATOM 1349 CD2 TYR A 92 12.987 4.853 19.361 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.686 6.723 18.127 1.00 0.00 C ATOM 1351 CE2 TYR A 92 13.896 5.595 20.139 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.736 6.548 19.524 1.00 0.00 C ATOM 1353 OH TYR A 92 15.568 7.320 20.270 1.00 0.00 O ATOM 0 H TYR A 92 10.245 6.134 16.274 1.00 0.00 H new ATOM 0 HA TYR A 92 12.590 4.661 15.206 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.951 4.224 17.704 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.246 3.187 17.139 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.760 6.101 16.287 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.343 4.129 19.838 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.341 7.436 17.648 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.950 5.435 21.206 1.00 0.00 H new ATOM 0 HH TYR A 92 15.896 8.067 19.727 1.00 0.00 H new ATOM 1363 N ILE A 93 11.380 2.929 14.080 1.00 0.00 N ATOM 1364 CA ILE A 93 10.820 2.113 13.009 1.00 0.00 C ATOM 1365 C ILE A 93 11.069 0.651 13.379 1.00 0.00 C ATOM 1366 O ILE A 93 12.185 0.148 13.243 1.00 0.00 O ATOM 1367 CB ILE A 93 11.474 2.514 11.665 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.280 4.009 11.305 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.980 1.602 10.533 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.830 4.465 11.096 1.00 0.00 C ATOM 0 H ILE A 93 12.395 2.842 14.123 1.00 0.00 H new ATOM 0 HA ILE A 93 9.747 2.265 12.889 1.00 0.00 H new ATOM 0 HB ILE A 93 12.548 2.376 11.790 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.720 4.614 12.098 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.841 4.219 10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.450 1.899 9.595 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.241 0.568 10.759 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.898 1.691 10.440 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.814 5.527 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.384 3.896 10.280 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.260 4.297 12.010 1.00 0.00 H new ATOM 1382 N VAL A 94 10.049 -0.011 13.925 1.00 0.00 N ATOM 1383 CA VAL A 94 10.186 -1.327 14.562 1.00 0.00 C ATOM 1384 C VAL A 94 9.705 -2.413 13.598 1.00 0.00 C ATOM 1385 O VAL A 94 8.714 -2.224 12.894 1.00 0.00 O ATOM 1386 CB VAL A 94 9.431 -1.364 15.908 1.00 0.00 C ATOM 1387 CG1 VAL A 94 9.689 -2.685 16.648 1.00 0.00 C ATOM 1388 CG2 VAL A 94 9.877 -0.217 16.834 1.00 0.00 C ATOM 0 H VAL A 94 9.096 0.351 13.939 1.00 0.00 H new ATOM 0 HA VAL A 94 11.236 -1.517 14.787 1.00 0.00 H new ATOM 0 HB VAL A 94 8.372 -1.262 15.672 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.146 -2.685 17.593 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.349 -3.519 16.034 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.756 -2.790 16.843 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.326 -0.272 17.773 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.945 -0.305 17.034 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.676 0.739 16.351 1.00 0.00 H new ATOM 1398 N VAL A 95 10.422 -3.541 13.548 1.00 0.00 N ATOM 1399 CA VAL A 95 10.177 -4.661 12.633 1.00 0.00 C ATOM 1400 C VAL A 95 10.282 -5.967 13.429 1.00 0.00 C ATOM 1401 O VAL A 95 11.360 -6.547 13.514 1.00 0.00 O ATOM 1402 CB VAL A 95 11.169 -4.628 11.440 1.00 0.00 C ATOM 1403 CG1 VAL A 95 10.841 -5.730 10.421 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.150 -3.288 10.688 1.00 0.00 C ATOM 0 H VAL A 95 11.217 -3.705 14.166 1.00 0.00 H new ATOM 0 HA VAL A 95 9.177 -4.584 12.205 1.00 0.00 H new ATOM 0 HB VAL A 95 12.156 -4.780 11.878 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.551 -5.685 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.908 -6.705 10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.831 -5.584 10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.863 -3.323 9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.150 -3.106 10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.424 -2.484 11.371 1.00 0.00 H new ATOM 1414 N GLY A 96 9.191 -6.438 14.043 1.00 0.00 N ATOM 1415 CA GLY A 96 9.226 -7.711 14.759 1.00 0.00 C ATOM 1416 C GLY A 96 8.063 -8.050 15.686 1.00 0.00 C ATOM 1417 O GLY A 96 7.258 -7.199 16.053 1.00 0.00 O ATOM 0 H GLY A 96 8.288 -5.964 14.057 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.304 -8.507 14.019 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.141 -7.735 15.351 1.00 0.00 H new ATOM 1421 N ARG A 97 8.043 -9.318 16.115 1.00 0.00 N ATOM 1422 CA ARG A 97 7.184 -9.853 17.182 1.00 0.00 C ATOM 1423 C ARG A 97 7.980 -10.848 18.028 1.00 0.00 C ATOM 1424 O ARG A 97 8.794 -11.589 17.484 1.00 0.00 O ATOM 1425 CB ARG A 97 5.900 -10.484 16.589 1.00 0.00 C ATOM 1426 CG ARG A 97 6.096 -11.835 15.863 1.00 0.00 C ATOM 1427 CD ARG A 97 5.846 -13.027 16.806 1.00 0.00 C ATOM 1428 NE ARG A 97 6.572 -14.253 16.422 1.00 0.00 N ATOM 1429 CZ ARG A 97 6.099 -15.308 15.773 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.935 -15.325 15.167 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.806 -16.407 15.716 1.00 0.00 N ATOM 0 H ARG A 97 8.651 -10.031 15.711 1.00 0.00 H new ATOM 0 HA ARG A 97 6.861 -9.040 17.832 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.180 -10.626 17.395 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.458 -9.776 15.888 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.416 -11.894 15.013 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.109 -11.891 15.465 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.138 -12.745 17.818 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.778 -13.241 16.830 1.00 0.00 H new ATOM 0 HE ARG A 97 7.556 -14.294 16.688 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.341 -14.496 15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.624 -16.167 14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.718 -16.451 16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.445 -17.220 15.218 1.00 0.00 H new ATOM 1445 N GLY A 98 7.689 -10.907 19.331 1.00 0.00 N ATOM 1446 CA GLY A 98 8.234 -11.863 20.303 1.00 0.00 C ATOM 1447 C GLY A 98 9.728 -12.178 20.149 1.00 0.00 C ATOM 1448 O GLY A 98 10.570 -11.429 20.635 1.00 0.00 O ATOM 0 H GLY A 98 7.032 -10.255 19.760 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.064 -11.472 21.306 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.674 -12.795 20.225 1.00 0.00 H new ATOM 1452 N GLU A 99 10.046 -13.300 19.499 1.00 0.00 N ATOM 1453 CA GLU A 99 11.397 -13.834 19.314 1.00 0.00 C ATOM 1454 C GLU A 99 12.104 -13.341 18.040 1.00 0.00 C ATOM 1455 O GLU A 99 13.311 -13.525 17.900 1.00 0.00 O ATOM 1456 CB GLU A 99 11.315 -15.374 19.334 1.00 0.00 C ATOM 1457 CG GLU A 99 10.982 -16.091 18.007 1.00 0.00 C ATOM 1458 CD GLU A 99 9.634 -15.775 17.337 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.774 -15.039 17.877 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.418 -16.276 16.211 1.00 0.00 O ATOM 0 H GLU A 99 9.334 -13.889 19.067 1.00 0.00 H new ATOM 0 HA GLU A 99 12.011 -13.461 20.134 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.271 -15.756 19.691 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.562 -15.661 20.068 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.773 -15.858 17.294 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.022 -17.165 18.188 1.00 0.00 H new ATOM 1467 N GLN A 100 11.365 -12.729 17.110 1.00 0.00 N ATOM 1468 CA GLN A 100 11.832 -12.318 15.789 1.00 0.00 C ATOM 1469 C GLN A 100 11.662 -10.804 15.641 1.00 0.00 C ATOM 1470 O GLN A 100 10.600 -10.331 15.235 1.00 0.00 O ATOM 1471 CB GLN A 100 11.147 -13.154 14.682 1.00 0.00 C ATOM 1472 CG GLN A 100 9.605 -13.185 14.711 1.00 0.00 C ATOM 1473 CD GLN A 100 9.022 -14.065 13.616 1.00 0.00 C ATOM 1474 OE1 GLN A 100 8.444 -13.586 12.650 1.00 0.00 O ATOM 1475 NE2 GLN A 100 9.136 -15.373 13.713 1.00 0.00 N ATOM 0 H GLN A 100 10.384 -12.498 17.267 1.00 0.00 H new ATOM 0 HA GLN A 100 12.897 -12.522 15.676 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.464 -12.767 13.714 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.512 -14.179 14.750 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.270 -13.548 15.682 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.222 -12.171 14.601 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.616 -15.785 14.513 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.745 -15.974 12.988 1.00 0.00 H new ATOM 1484 N GLN A 101 12.693 -10.030 16.014 1.00 0.00 N ATOM 1485 CA GLN A 101 12.634 -8.573 15.913 1.00 0.00 C ATOM 1486 C GLN A 101 13.932 -7.900 15.467 1.00 0.00 C ATOM 1487 O GLN A 101 15.032 -8.412 15.662 1.00 0.00 O ATOM 1488 CB GLN A 101 12.059 -7.971 17.216 1.00 0.00 C ATOM 1489 CG GLN A 101 13.033 -7.850 18.408 1.00 0.00 C ATOM 1490 CD GLN A 101 13.980 -6.643 18.349 1.00 0.00 C ATOM 1491 OE1 GLN A 101 15.169 -6.756 18.596 1.00 0.00 O ATOM 1492 NE2 GLN A 101 13.484 -5.455 18.050 1.00 0.00 N ATOM 0 H GLN A 101 13.571 -10.392 16.386 1.00 0.00 H new ATOM 0 HA GLN A 101 11.950 -8.352 15.094 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.671 -6.978 16.991 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.212 -8.581 17.529 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.452 -7.793 19.329 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.631 -8.760 18.464 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.490 -5.355 17.843 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.095 -4.638 18.027 1.00 0.00 H new ATOM 1501 N ILE A 102 13.747 -6.715 14.887 1.00 0.00 N ATOM 1502 CA ILE A 102 14.734 -5.712 14.506 1.00 0.00 C ATOM 1503 C ILE A 102 14.094 -4.322 14.677 1.00 0.00 C ATOM 1504 O ILE A 102 12.872 -4.188 14.800 1.00 0.00 O ATOM 1505 CB ILE A 102 15.235 -5.902 13.041 1.00 0.00 C ATOM 1506 CG1 ILE A 102 14.695 -7.141 12.279 1.00 0.00 C ATOM 1507 CG2 ILE A 102 16.773 -5.901 13.069 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.032 -7.157 10.782 1.00 0.00 C ATOM 0 H ILE A 102 12.805 -6.405 14.649 1.00 0.00 H new ATOM 0 HA ILE A 102 15.608 -5.817 15.148 1.00 0.00 H new ATOM 0 HB ILE A 102 14.828 -5.070 12.467 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.100 -8.042 12.740 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.612 -7.182 12.396 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.155 -6.032 12.057 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.129 -4.952 13.471 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.126 -6.717 13.699 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.618 -8.056 10.325 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.604 -6.277 10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.114 -7.150 10.653 1.00 0.00 H new ATOM 1520 N ASN A 103 14.909 -3.266 14.641 1.00 0.00 N ATOM 1521 CA ASN A 103 14.441 -1.882 14.668 1.00 0.00 C ATOM 1522 C ASN A 103 15.446 -0.949 13.977 1.00 0.00 C ATOM 1523 O ASN A 103 16.635 -1.253 13.883 1.00 0.00 O ATOM 1524 CB ASN A 103 14.124 -1.451 16.121 1.00 0.00 C ATOM 1525 CG ASN A 103 15.080 -2.004 17.174 1.00 0.00 C ATOM 1526 OD1 ASN A 103 14.913 -3.112 17.665 1.00 0.00 O ATOM 1527 ND2 ASN A 103 16.092 -1.265 17.576 1.00 0.00 N ATOM 0 H ASN A 103 15.924 -3.351 14.592 1.00 0.00 H new ATOM 0 HA ASN A 103 13.513 -1.808 14.101 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.138 -0.362 16.174 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.111 -1.769 16.367 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.729 -1.617 18.291 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.240 -0.340 17.173 1.00 0.00 H new ATOM 1534 N HIS A 104 14.942 0.193 13.510 1.00 0.00 N ATOM 1535 CA HIS A 104 15.678 1.314 12.933 1.00 0.00 C ATOM 1536 C HIS A 104 15.224 2.617 13.606 1.00 0.00 C ATOM 1537 O HIS A 104 14.152 2.675 14.212 1.00 0.00 O ATOM 1538 CB HIS A 104 15.459 1.359 11.408 1.00 0.00 C ATOM 1539 CG HIS A 104 16.723 1.149 10.617 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.057 0.017 9.912 1.00 0.00 N ATOM 1541 CD2 HIS A 104 17.735 2.054 10.447 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.242 0.240 9.319 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.687 1.474 9.604 1.00 0.00 N ATOM 0 H HIS A 104 13.938 0.370 13.527 1.00 0.00 H new ATOM 0 HA HIS A 104 16.746 1.189 13.110 1.00 0.00 H new ATOM 0 HB2 HIS A 104 14.734 0.595 11.130 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.026 2.322 11.139 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.505 -0.838 9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.789 3.040 10.885 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.764 -0.474 8.699 1.00 0.00 H new ATOM 1551 N HIS A 105 16.037 3.671 13.502 1.00 0.00 N ATOM 1552 CA HIS A 105 15.864 4.887 14.295 1.00 0.00 C ATOM 1553 C HIS A 105 16.096 6.143 13.451 1.00 0.00 C ATOM 1554 O HIS A 105 16.953 6.155 12.567 1.00 0.00 O ATOM 1555 CB HIS A 105 16.820 4.829 15.501 1.00 0.00 C ATOM 1556 CG HIS A 105 16.578 3.633 16.394 1.00 0.00 C ATOM 1557 ND1 HIS A 105 15.678 3.571 17.434 1.00 0.00 N ATOM 1558 CD2 HIS A 105 17.131 2.387 16.254 1.00 0.00 C ATOM 1559 CE1 HIS A 105 15.674 2.311 17.896 1.00 0.00 C ATOM 1560 NE2 HIS A 105 16.539 1.551 17.204 1.00 0.00 N ATOM 0 H HIS A 105 16.833 3.704 12.865 1.00 0.00 H new ATOM 0 HA HIS A 105 14.836 4.944 14.653 1.00 0.00 H new ATOM 0 HB2 HIS A 105 17.848 4.803 15.141 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.710 5.741 16.088 1.00 0.00 H new ATOM 0 HD1 HIS A 105 15.115 4.344 17.790 1.00 0.00 H new ATOM 0 HD2 HIS A 105 17.888 2.103 15.538 1.00 0.00 H new ATOM 0 HE1 HIS A 105 15.060 1.957 18.711 1.00 0.00 H new ATOM 1568 N TRP A 106 15.331 7.196 13.748 1.00 0.00 N ATOM 1569 CA TRP A 106 15.425 8.519 13.144 1.00 0.00 C ATOM 1570 C TRP A 106 15.145 9.621 14.174 1.00 0.00 C ATOM 1571 O TRP A 106 14.673 9.365 15.285 1.00 0.00 O ATOM 1572 CB TRP A 106 14.448 8.617 11.958 1.00 0.00 C ATOM 1573 CG TRP A 106 15.081 8.993 10.659 1.00 0.00 C ATOM 1574 CD1 TRP A 106 15.850 8.164 9.920 1.00 0.00 C ATOM 1575 CD2 TRP A 106 15.006 10.248 9.912 1.00 0.00 C ATOM 1576 NE1 TRP A 106 16.219 8.801 8.755 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.748 10.094 8.703 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.387 11.500 10.125 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.868 11.118 7.751 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.500 12.538 9.179 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.237 12.350 7.994 1.00 0.00 C ATOM 0 H TRP A 106 14.594 7.142 14.451 1.00 0.00 H new ATOM 0 HA TRP A 106 16.442 8.664 12.780 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.946 7.657 11.838 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.679 9.351 12.198 1.00 0.00 H new ATOM 0 HD1 TRP A 106 16.132 7.159 10.199 1.00 0.00 H new ATOM 0 HE1 TRP A 106 16.775 8.366 8.019 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.818 11.664 11.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.436 10.962 6.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.017 13.486 9.364 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.317 13.151 7.274 1.00 0.00 H new ATOM 1592 N HIS A 107 15.414 10.862 13.762 1.00 0.00 N ATOM 1593 CA HIS A 107 15.349 12.070 14.576 1.00 0.00 C ATOM 1594 C HIS A 107 14.658 13.166 13.750 1.00 0.00 C ATOM 1595 O HIS A 107 15.144 13.502 12.665 1.00 0.00 O ATOM 1596 CB HIS A 107 16.786 12.456 14.978 1.00 0.00 C ATOM 1597 CG HIS A 107 17.552 11.350 15.674 1.00 0.00 C ATOM 1598 ND1 HIS A 107 17.262 10.809 16.905 1.00 0.00 N ATOM 1599 CD2 HIS A 107 18.646 10.685 15.189 1.00 0.00 C ATOM 1600 CE1 HIS A 107 18.148 9.834 17.153 1.00 0.00 C ATOM 1601 NE2 HIS A 107 19.017 9.725 16.134 1.00 0.00 N ATOM 0 H HIS A 107 15.697 11.057 12.802 1.00 0.00 H new ATOM 0 HA HIS A 107 14.772 11.922 15.489 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.334 12.756 14.084 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.747 13.325 15.635 1.00 0.00 H new ATOM 0 HD1 HIS A 107 16.504 11.099 17.522 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.135 10.870 14.244 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.161 9.224 18.044 1.00 0.00 H new ATOM 1609 N LYS A 108 13.494 13.661 14.197 1.00 0.00 N ATOM 1610 CA LYS A 108 12.571 14.463 13.384 1.00 0.00 C ATOM 1611 C LYS A 108 11.928 15.614 14.174 1.00 0.00 C ATOM 1612 O LYS A 108 10.810 15.496 14.678 1.00 0.00 O ATOM 1613 CB LYS A 108 11.531 13.509 12.771 1.00 0.00 C ATOM 1614 CG LYS A 108 10.618 14.178 11.735 1.00 0.00 C ATOM 1615 CD LYS A 108 9.705 13.133 11.087 1.00 0.00 C ATOM 1616 CE LYS A 108 8.611 13.800 10.246 1.00 0.00 C ATOM 1617 NZ LYS A 108 7.895 12.782 9.450 1.00 0.00 N ATOM 0 H LYS A 108 13.163 13.512 15.150 1.00 0.00 H new ATOM 0 HA LYS A 108 13.125 14.960 12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.050 12.674 12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.917 13.093 13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.017 14.951 12.214 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.220 14.670 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.297 12.469 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.248 12.516 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.910 14.325 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.053 14.546 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.072 13.218 8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.533 12.395 8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.575 12.015 10.075 1.00 0.00 H new ATOM 1631 N SER A 109 12.615 16.755 14.205 1.00 0.00 N ATOM 1632 CA SER A 109 12.130 18.062 14.675 1.00 0.00 C ATOM 1633 C SER A 109 11.566 18.029 16.102 1.00 0.00 C ATOM 1634 O SER A 109 10.386 18.293 16.328 1.00 0.00 O ATOM 1635 CB SER A 109 11.131 18.664 13.676 1.00 0.00 C ATOM 1636 OG SER A 109 11.719 18.796 12.395 1.00 0.00 O ATOM 0 H SER A 109 13.582 16.800 13.885 1.00 0.00 H new ATOM 0 HA SER A 109 13.000 18.717 14.726 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.247 18.030 13.612 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.798 19.639 14.031 1.00 0.00 H new ATOM 0 HG SER A 109 11.066 19.180 11.773 1.00 0.00 H new ATOM 1642 N GLY A 110 12.437 17.716 17.065 1.00 0.00 N ATOM 1643 CA GLY A 110 12.127 17.625 18.494 1.00 0.00 C ATOM 1644 C GLY A 110 12.783 16.435 19.202 1.00 0.00 C ATOM 1645 O GLY A 110 12.372 16.086 20.306 1.00 0.00 O ATOM 0 H GLY A 110 13.415 17.511 16.863 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.445 18.546 18.983 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.046 17.556 18.617 1.00 0.00 H new ATOM 1649 N SER A 111 13.747 15.767 18.560 1.00 0.00 N ATOM 1650 CA SER A 111 14.433 14.592 19.083 1.00 0.00 C ATOM 1651 C SER A 111 15.461 14.933 20.166 1.00 0.00 C ATOM 1652 O SER A 111 16.051 16.012 20.196 1.00 0.00 O ATOM 1653 CB SER A 111 15.134 13.890 17.917 1.00 0.00 C ATOM 1654 OG SER A 111 15.880 12.763 18.334 1.00 0.00 O ATOM 0 H SER A 111 14.078 16.041 17.635 1.00 0.00 H new ATOM 0 HA SER A 111 13.689 13.947 19.550 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.390 13.578 17.184 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.797 14.596 17.417 1.00 0.00 H new ATOM 0 HG SER A 111 15.529 12.436 19.188 1.00 0.00 H new ATOM 1660 N SER A 112 15.759 13.910 20.966 1.00 0.00 N ATOM 1661 CA SER A 112 16.849 13.747 21.929 1.00 0.00 C ATOM 1662 C SER A 112 18.205 14.292 21.456 1.00 0.00 C ATOM 1663 O SER A 112 18.978 14.783 22.274 1.00 0.00 O ATOM 1664 CB SER A 112 17.010 12.244 22.233 1.00 0.00 C ATOM 1665 OG SER A 112 15.764 11.575 22.352 1.00 0.00 O ATOM 0 H SER A 112 15.172 13.076 20.953 1.00 0.00 H new ATOM 0 HA SER A 112 16.572 14.329 22.808 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.595 11.777 21.440 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.573 12.122 23.158 1.00 0.00 H new ATOM 0 HG SER A 112 15.470 11.271 21.468 1.00 0.00 H new ATOM 1671 N ILE A 113 18.502 14.208 20.149 1.00 0.00 N ATOM 1672 CA ILE A 113 19.757 14.692 19.549 1.00 0.00 C ATOM 1673 C ILE A 113 19.736 16.195 19.186 1.00 0.00 C ATOM 1674 O ILE A 113 20.770 16.743 18.811 1.00 0.00 O ATOM 1675 CB ILE A 113 20.125 13.786 18.345 1.00 0.00 C ATOM 1676 CG1 ILE A 113 21.634 13.863 18.014 1.00 0.00 C ATOM 1677 CG2 ILE A 113 19.256 14.110 17.119 1.00 0.00 C ATOM 1678 CD1 ILE A 113 22.107 12.785 17.031 1.00 0.00 C ATOM 0 H ILE A 113 17.866 13.795 19.467 1.00 0.00 H new ATOM 0 HA ILE A 113 20.541 14.618 20.302 1.00 0.00 H new ATOM 0 HB ILE A 113 19.914 12.756 18.632 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.855 14.845 17.596 1.00 0.00 H new ATOM 0 HG13 ILE A 113 22.204 13.774 18.939 1.00 0.00 H new ATOM 0 HG21 ILE A 113 19.537 13.459 16.291 1.00 0.00 H new ATOM 0 HG22 ILE A 113 18.206 13.951 17.365 1.00 0.00 H new ATOM 0 HG23 ILE A 113 19.408 15.150 16.830 1.00 0.00 H new ATOM 0 HD11 ILE A 113 23.175 12.903 16.848 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.919 11.798 17.455 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.564 12.886 16.091 1.00 0.00 H new ATOM 1690 N GLY A 114 18.585 16.877 19.290 1.00 0.00 N ATOM 1691 CA GLY A 114 18.451 18.315 19.022 1.00 0.00 C ATOM 1692 C GLY A 114 17.950 18.681 17.617 1.00 0.00 C ATOM 1693 O GLY A 114 17.999 19.856 17.257 1.00 0.00 O ATOM 0 H GLY A 114 17.708 16.437 19.567 1.00 0.00 H new ATOM 0 HA2 GLY A 114 17.767 18.741 19.755 1.00 0.00 H new ATOM 0 HA3 GLY A 114 19.421 18.788 19.178 1.00 0.00 H new ATOM 1697 N LYS A 115 17.474 17.706 16.828 1.00 0.00 N ATOM 1698 CA LYS A 115 16.840 17.913 15.513 1.00 0.00 C ATOM 1699 C LYS A 115 15.624 17.001 15.300 1.00 0.00 C ATOM 1700 O LYS A 115 14.897 16.765 16.287 1.00 0.00 O ATOM 1701 CB LYS A 115 17.885 17.822 14.381 1.00 0.00 C ATOM 1702 CG LYS A 115 18.633 16.476 14.320 1.00 0.00 C ATOM 1703 CD LYS A 115 19.057 16.085 12.893 1.00 0.00 C ATOM 1704 CE LYS A 115 18.089 15.084 12.242 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.717 15.612 12.067 1.00 0.00 N ATOM 0 H LYS A 115 17.520 16.722 17.093 1.00 0.00 H new ATOM 0 HA LYS A 115 16.438 18.926 15.488 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.386 17.992 13.427 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.612 18.624 14.508 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.518 16.530 14.954 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.995 15.693 14.730 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.115 16.982 12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 115 20.057 15.652 12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.483 14.791 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.047 14.183 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.063 14.825 11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.424 16.111 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.699 16.272 11.263 1.00 0.00 H new TER 1719 LYS A 115