USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 90 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.495 K(o=0.95,f=-0.086) USER MOD Set 2.2: A 68 THR OG1 : rot -130:sc= 0.456 USER MOD Set 3.1: A 22 LYS NZ :NH3+ 175:sc= 1.14 (180deg=0) USER MOD Set 3.2: A 77 THR OG1 : rot 160:sc= 0.975 USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 1.89 (180deg=1.41) USER MOD Single : A 7 GLN : amide:sc= 0.795 K(o=0.8,f=-0.059) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.357 K(o=0.36,f=-4.2!) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0.8 (180deg=0.764) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0239) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.075 K(o=0.075,f=-5.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.83 K(o=0.83,f=-2.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.826 K(o=0.83,f=-0.064) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -150:sc= 0.344 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.986 K(o=0.99,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 2.016 -5.490 0.069 1.00 0.00 N ATOM 16 CA VAL A 2 3.045 -6.216 -0.698 1.00 0.00 C ATOM 17 C VAL A 2 2.869 -6.051 -2.194 1.00 0.00 C ATOM 18 O VAL A 2 1.749 -5.937 -2.674 1.00 0.00 O ATOM 19 CB VAL A 2 2.942 -7.713 -0.387 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.479 -8.735 -1.399 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.628 -8.017 0.927 1.00 0.00 C ATOM 0 HA VAL A 2 4.012 -5.804 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 2 1.861 -7.850 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.323 -9.743 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.951 -8.621 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.545 -8.567 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.550 -9.083 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.679 -7.736 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.150 -7.451 1.727 1.00 0.00 H new ATOM 31 N ILE A 3 3.977 -6.146 -2.916 1.00 0.00 N ATOM 32 CA ILE A 3 4.100 -6.306 -4.367 1.00 0.00 C ATOM 33 C ILE A 3 4.871 -7.634 -4.515 1.00 0.00 C ATOM 34 O ILE A 3 6.100 -7.661 -4.415 1.00 0.00 O ATOM 35 CB ILE A 3 4.846 -5.123 -5.019 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.154 -3.749 -4.905 1.00 0.00 C ATOM 37 CG2 ILE A 3 5.052 -5.406 -6.519 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.932 -3.159 -3.505 1.00 0.00 C ATOM 0 H ILE A 3 4.893 -6.111 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 3 3.135 -6.322 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 3 5.780 -5.053 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.742 -3.032 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.182 -3.825 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.579 -4.570 -6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.640 -6.316 -6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.083 -5.533 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.436 -2.192 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.309 -3.835 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.893 -3.030 -3.008 1.00 0.00 H new ATOM 50 N ILE A 4 4.151 -8.757 -4.588 1.00 0.00 N ATOM 51 CA ILE A 4 4.694 -10.111 -4.476 1.00 0.00 C ATOM 52 C ILE A 4 5.628 -10.445 -5.662 1.00 0.00 C ATOM 53 O ILE A 4 5.425 -9.982 -6.787 1.00 0.00 O ATOM 54 CB ILE A 4 3.501 -11.091 -4.362 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.630 -12.189 -3.303 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.158 -11.763 -5.679 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.911 -13.030 -3.304 1.00 0.00 C ATOM 0 H ILE A 4 3.141 -8.747 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 4 5.316 -10.199 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 4 2.702 -10.421 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.535 -11.722 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.784 -12.866 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.314 -12.438 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.894 -11.005 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.019 -12.330 -6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.863 -13.766 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.009 -13.542 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.773 -12.381 -3.150 1.00 0.00 H new ATOM 69 N LYS A 5 6.630 -11.290 -5.396 1.00 0.00 N ATOM 70 CA LYS A 5 7.687 -11.694 -6.333 1.00 0.00 C ATOM 71 C LYS A 5 8.120 -13.154 -6.173 1.00 0.00 C ATOM 72 O LYS A 5 7.979 -13.722 -5.089 1.00 0.00 O ATOM 73 CB LYS A 5 8.870 -10.768 -6.098 1.00 0.00 C ATOM 74 CG LYS A 5 8.524 -9.353 -6.558 1.00 0.00 C ATOM 75 CD LYS A 5 9.760 -8.575 -6.971 1.00 0.00 C ATOM 76 CE LYS A 5 9.248 -7.190 -7.352 1.00 0.00 C ATOM 77 NZ LYS A 5 10.320 -6.179 -7.506 1.00 0.00 N ATOM 0 H LYS A 5 6.732 -11.731 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 5 7.300 -11.615 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.133 -10.761 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.742 -11.133 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.830 -9.403 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.014 -8.824 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.481 -8.518 -6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.265 -9.053 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.692 -7.263 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.547 -6.850 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.957 -5.368 -8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.631 -5.857 -6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.125 -6.601 -8.012 1.00 0.00 H new ATOM 91 N PRO A 6 8.650 -13.756 -7.252 1.00 0.00 N ATOM 92 CA PRO A 6 9.094 -15.141 -7.235 1.00 0.00 C ATOM 93 C PRO A 6 10.434 -15.342 -6.513 1.00 0.00 C ATOM 94 O PRO A 6 11.226 -14.412 -6.350 1.00 0.00 O ATOM 95 CB PRO A 6 9.141 -15.538 -8.710 1.00 0.00 C ATOM 96 CG PRO A 6 9.402 -14.243 -9.476 1.00 0.00 C ATOM 97 CD PRO A 6 8.774 -13.182 -8.592 1.00 0.00 C ATOM 0 HA PRO A 6 8.418 -15.776 -6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.929 -16.268 -8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.203 -15.996 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.468 -14.068 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.947 -14.263 -10.466 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.391 -12.284 -8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.797 -12.889 -8.977 1.00 0.00 H new ATOM 105 N GLN A 7 10.707 -16.581 -6.103 1.00 0.00 N ATOM 106 CA GLN A 7 11.949 -16.964 -5.401 1.00 0.00 C ATOM 107 C GLN A 7 13.059 -17.496 -6.334 1.00 0.00 C ATOM 108 O GLN A 7 14.188 -17.705 -5.889 1.00 0.00 O ATOM 109 CB GLN A 7 11.622 -17.926 -4.245 1.00 0.00 C ATOM 110 CG GLN A 7 11.005 -19.272 -4.670 1.00 0.00 C ATOM 111 CD GLN A 7 10.800 -20.214 -3.479 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.684 -20.438 -2.660 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.635 -20.806 -3.321 1.00 0.00 N ATOM 0 H GLN A 7 10.068 -17.363 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 7 12.378 -16.054 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.537 -18.124 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.934 -17.428 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.047 -19.093 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.653 -19.752 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.882 -20.637 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.485 -21.434 -2.531 1.00 0.00 H new ATOM 122 N VAL A 8 12.760 -17.674 -7.627 1.00 0.00 N ATOM 123 CA VAL A 8 13.693 -18.048 -8.718 1.00 0.00 C ATOM 124 C VAL A 8 13.325 -17.297 -10.010 1.00 0.00 C ATOM 125 O VAL A 8 12.378 -16.504 -10.020 1.00 0.00 O ATOM 126 CB VAL A 8 13.726 -19.577 -8.973 1.00 0.00 C ATOM 127 CG1 VAL A 8 14.145 -20.356 -7.723 1.00 0.00 C ATOM 128 CG2 VAL A 8 12.405 -20.144 -9.514 1.00 0.00 C ATOM 0 H VAL A 8 11.806 -17.556 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 8 14.694 -17.757 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 8 14.478 -19.711 -9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.155 -21.423 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.142 -20.040 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.437 -20.160 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.506 -21.218 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.606 -19.953 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.164 -19.663 -10.462 1.00 0.00 H new ATOM 138 N SER A 9 14.032 -17.545 -11.112 1.00 0.00 N ATOM 139 CA SER A 9 13.705 -17.024 -12.448 1.00 0.00 C ATOM 140 C SER A 9 13.304 -18.149 -13.437 1.00 0.00 C ATOM 141 O SER A 9 13.570 -19.331 -13.204 1.00 0.00 O ATOM 142 CB SER A 9 14.889 -16.212 -12.997 1.00 0.00 C ATOM 143 OG SER A 9 16.053 -17.017 -13.110 1.00 0.00 O ATOM 0 H SER A 9 14.869 -18.127 -11.105 1.00 0.00 H new ATOM 0 HA SER A 9 12.837 -16.372 -12.346 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.631 -15.802 -13.973 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.090 -15.367 -12.339 1.00 0.00 H new ATOM 0 HG SER A 9 16.791 -16.477 -13.463 1.00 0.00 H new ATOM 149 N GLY A 10 12.614 -17.784 -14.519 1.00 0.00 N ATOM 150 CA GLY A 10 11.950 -18.678 -15.469 1.00 0.00 C ATOM 151 C GLY A 10 10.708 -18.026 -15.950 1.00 0.00 C ATOM 152 O GLY A 10 10.689 -16.884 -16.396 1.00 0.00 O ATOM 0 H GLY A 10 12.497 -16.802 -14.770 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.611 -18.896 -16.308 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.716 -19.630 -14.992 1.00 0.00 H new ATOM 156 N VAL A 11 9.658 -18.817 -15.885 1.00 0.00 N ATOM 157 CA VAL A 11 8.429 -18.477 -16.528 1.00 0.00 C ATOM 158 C VAL A 11 7.264 -19.075 -15.754 1.00 0.00 C ATOM 159 O VAL A 11 7.379 -20.187 -15.236 1.00 0.00 O ATOM 160 CB VAL A 11 8.551 -19.063 -17.943 1.00 0.00 C ATOM 161 CG1 VAL A 11 7.206 -19.111 -18.531 1.00 0.00 C ATOM 162 CG2 VAL A 11 9.263 -18.176 -18.955 1.00 0.00 C ATOM 0 H VAL A 11 9.643 -19.706 -15.386 1.00 0.00 H new ATOM 0 HA VAL A 11 8.244 -17.404 -16.568 1.00 0.00 H new ATOM 0 HB VAL A 11 9.083 -20.003 -17.798 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.264 -19.524 -19.538 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.563 -19.741 -17.917 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.792 -18.104 -18.575 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.296 -18.680 -19.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.724 -17.234 -19.056 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.279 -17.978 -18.614 1.00 0.00 H new ATOM 172 N ILE A 12 6.134 -18.367 -15.738 1.00 0.00 N ATOM 173 CA ILE A 12 4.896 -18.845 -15.095 1.00 0.00 C ATOM 174 C ILE A 12 4.344 -20.141 -15.741 1.00 0.00 C ATOM 175 O ILE A 12 4.370 -20.300 -16.961 1.00 0.00 O ATOM 176 CB ILE A 12 3.840 -17.727 -15.178 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.319 -16.350 -14.665 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.509 -18.085 -14.500 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.555 -16.288 -13.156 1.00 0.00 C ATOM 0 H ILE A 12 6.045 -17.446 -16.168 1.00 0.00 H new ATOM 0 HA ILE A 12 5.127 -19.089 -14.058 1.00 0.00 H new ATOM 0 HB ILE A 12 3.673 -17.639 -16.251 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.245 -16.087 -15.177 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.579 -15.597 -14.936 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.815 -17.251 -14.598 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.084 -18.969 -14.976 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.682 -18.290 -13.444 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.889 -15.288 -12.881 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.627 -16.517 -12.633 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.318 -17.015 -12.877 1.00 0.00 H new ATOM 191 N VAL A 13 3.752 -21.025 -14.930 1.00 0.00 N ATOM 192 CA VAL A 13 3.194 -22.352 -15.298 1.00 0.00 C ATOM 193 C VAL A 13 1.734 -22.509 -14.856 1.00 0.00 C ATOM 194 O VAL A 13 0.936 -23.118 -15.570 1.00 0.00 O ATOM 195 CB VAL A 13 3.987 -23.492 -14.623 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.506 -24.903 -15.004 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.463 -23.422 -14.975 1.00 0.00 C ATOM 0 H VAL A 13 3.637 -20.831 -13.935 1.00 0.00 H new ATOM 0 HA VAL A 13 3.264 -22.410 -16.384 1.00 0.00 H new ATOM 0 HB VAL A 13 3.818 -23.338 -13.557 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.114 -25.646 -14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.462 -25.023 -14.713 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.600 -25.041 -16.081 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.993 -24.238 -14.484 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.584 -23.508 -16.055 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.872 -22.469 -14.639 1.00 0.00 H new ATOM 207 N ASN A 14 1.371 -21.948 -13.700 1.00 0.00 N ATOM 208 CA ASN A 14 0.008 -21.964 -13.173 1.00 0.00 C ATOM 209 C ASN A 14 -0.288 -20.701 -12.350 1.00 0.00 C ATOM 210 O ASN A 14 0.630 -20.058 -11.825 1.00 0.00 O ATOM 211 CB ASN A 14 -0.203 -23.234 -12.318 1.00 0.00 C ATOM 212 CG ASN A 14 -1.660 -23.676 -12.219 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.581 -23.028 -12.698 1.00 0.00 O ATOM 214 ND2 ASN A 14 -1.921 -24.786 -11.570 1.00 0.00 N ATOM 0 H ASN A 14 2.031 -21.461 -13.094 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.687 -21.977 -14.012 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.386 -24.048 -12.742 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.181 -23.052 -11.314 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.885 -25.102 -11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.160 -25.333 -11.167 1.00 0.00 H new ATOM 221 N LYS A 15 -1.581 -20.412 -12.203 1.00 0.00 N ATOM 222 CA LYS A 15 -2.173 -19.292 -11.488 1.00 0.00 C ATOM 223 C LYS A 15 -3.194 -19.878 -10.514 1.00 0.00 C ATOM 224 O LYS A 15 -4.331 -20.189 -10.880 1.00 0.00 O ATOM 225 CB LYS A 15 -2.837 -18.331 -12.492 1.00 0.00 C ATOM 226 CG LYS A 15 -1.868 -17.711 -13.513 1.00 0.00 C ATOM 227 CD LYS A 15 -1.184 -16.424 -13.038 1.00 0.00 C ATOM 228 CE LYS A 15 -2.117 -15.215 -12.960 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.766 -14.875 -14.256 1.00 0.00 N ATOM 0 H LYS A 15 -2.297 -21.008 -12.618 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.424 -18.719 -10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.617 -18.869 -13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.326 -17.529 -11.940 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.101 -18.445 -13.760 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.415 -17.499 -14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.749 -16.598 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.361 -16.192 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.890 -15.411 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.550 -14.352 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.446 -14.102 -14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.041 -14.575 -14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.264 -15.710 -14.624 1.00 0.00 H new ATOM 243 N LEU A 16 -2.747 -20.107 -9.284 1.00 0.00 N ATOM 244 CA LEU A 16 -3.545 -20.718 -8.223 1.00 0.00 C ATOM 245 C LEU A 16 -4.655 -19.784 -7.724 1.00 0.00 C ATOM 246 O LEU A 16 -5.780 -20.201 -7.454 1.00 0.00 O ATOM 247 CB LEU A 16 -2.619 -21.065 -7.058 1.00 0.00 C ATOM 248 CG LEU A 16 -1.751 -22.316 -7.267 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.410 -23.453 -8.044 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.416 -22.015 -7.933 1.00 0.00 C ATOM 0 H LEU A 16 -1.800 -19.869 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.023 -21.611 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.964 -20.215 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.224 -21.207 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.600 -22.654 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.712 -24.285 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.304 -23.785 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.686 -23.102 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.148 -22.940 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.590 -21.568 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.151 -21.321 -7.313 1.00 0.00 H new ATOM 262 N PHE A 17 -4.301 -18.510 -7.604 1.00 0.00 N ATOM 263 CA PHE A 17 -5.175 -17.427 -7.145 1.00 0.00 C ATOM 264 C PHE A 17 -5.974 -16.789 -8.305 1.00 0.00 C ATOM 265 O PHE A 17 -5.866 -17.207 -9.465 1.00 0.00 O ATOM 266 CB PHE A 17 -4.326 -16.417 -6.346 1.00 0.00 C ATOM 267 CG PHE A 17 -3.854 -15.205 -7.114 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.790 -15.277 -8.030 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.549 -13.992 -6.954 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.469 -14.150 -8.803 1.00 0.00 C ATOM 271 CE2 PHE A 17 -4.205 -12.858 -7.694 1.00 0.00 C ATOM 272 CZ PHE A 17 -3.156 -12.942 -8.612 1.00 0.00 C ATOM 0 H PHE A 17 -3.361 -18.186 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.942 -17.827 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.909 -16.077 -5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.453 -16.937 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.225 -16.191 -8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.363 -13.937 -6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.690 -14.213 -9.548 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.742 -11.931 -7.558 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.871 -12.069 -9.180 1.00 0.00 H new ATOM 282 N LYS A 18 -6.760 -15.754 -7.992 1.00 0.00 N ATOM 283 CA LYS A 18 -7.536 -14.939 -8.951 1.00 0.00 C ATOM 284 C LYS A 18 -7.380 -13.437 -8.709 1.00 0.00 C ATOM 285 O LYS A 18 -7.446 -12.979 -7.569 1.00 0.00 O ATOM 286 CB LYS A 18 -9.026 -15.266 -8.837 1.00 0.00 C ATOM 287 CG LYS A 18 -9.441 -16.675 -9.232 1.00 0.00 C ATOM 288 CD LYS A 18 -9.250 -16.966 -10.727 1.00 0.00 C ATOM 289 CE LYS A 18 -9.761 -18.354 -11.132 1.00 0.00 C ATOM 290 NZ LYS A 18 -11.240 -18.471 -11.038 1.00 0.00 N ATOM 0 H LYS A 18 -6.882 -15.443 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.147 -15.183 -9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.335 -15.095 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.579 -14.560 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.862 -17.393 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.488 -16.825 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.772 -16.207 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.192 -16.887 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.448 -18.568 -12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.300 -19.107 -10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.540 -19.391 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.532 -18.396 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.684 -17.708 -11.588 1.00 0.00 H new ATOM 304 N ALA A 19 -7.274 -12.673 -9.795 1.00 0.00 N ATOM 305 CA ALA A 19 -7.278 -11.205 -9.772 1.00 0.00 C ATOM 306 C ALA A 19 -8.524 -10.632 -9.076 1.00 0.00 C ATOM 307 O ALA A 19 -9.656 -10.889 -9.488 1.00 0.00 O ATOM 308 CB ALA A 19 -7.142 -10.699 -11.211 1.00 0.00 C ATOM 0 H ALA A 19 -7.181 -13.060 -10.734 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.432 -10.856 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.143 -9.609 -11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.207 -11.063 -11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.979 -11.065 -11.806 1.00 0.00 H new ATOM 314 N GLY A 20 -8.316 -9.866 -8.006 1.00 0.00 N ATOM 315 CA GLY A 20 -9.371 -9.187 -7.247 1.00 0.00 C ATOM 316 C GLY A 20 -10.038 -10.022 -6.145 1.00 0.00 C ATOM 317 O GLY A 20 -10.822 -9.473 -5.367 1.00 0.00 O ATOM 0 H GLY A 20 -7.383 -9.694 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.948 -8.291 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.141 -8.858 -7.945 1.00 0.00 H new ATOM 321 N ASP A 21 -9.760 -11.329 -6.054 1.00 0.00 N ATOM 322 CA ASP A 21 -10.268 -12.218 -4.999 1.00 0.00 C ATOM 323 C ASP A 21 -9.558 -12.019 -3.629 1.00 0.00 C ATOM 324 O ASP A 21 -8.970 -10.967 -3.350 1.00 0.00 O ATOM 325 CB ASP A 21 -10.158 -13.656 -5.533 1.00 0.00 C ATOM 326 CG ASP A 21 -11.311 -14.561 -5.067 1.00 0.00 C ATOM 327 OD1 ASP A 21 -11.287 -15.019 -3.904 1.00 0.00 O ATOM 328 OD2 ASP A 21 -12.241 -14.808 -5.869 1.00 0.00 O ATOM 0 H ASP A 21 -9.162 -11.809 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.308 -11.977 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.140 -13.632 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.211 -14.087 -5.208 1.00 0.00 H new ATOM 333 N LYS A 22 -9.610 -13.039 -2.764 1.00 0.00 N ATOM 334 CA LYS A 22 -9.019 -13.084 -1.421 1.00 0.00 C ATOM 335 C LYS A 22 -7.952 -14.188 -1.323 1.00 0.00 C ATOM 336 O LYS A 22 -7.876 -15.077 -2.174 1.00 0.00 O ATOM 337 CB LYS A 22 -10.133 -13.299 -0.376 1.00 0.00 C ATOM 338 CG LYS A 22 -11.206 -12.196 -0.323 1.00 0.00 C ATOM 339 CD LYS A 22 -10.730 -10.909 0.366 1.00 0.00 C ATOM 340 CE LYS A 22 -11.815 -9.824 0.286 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.534 -8.707 1.215 1.00 0.00 N ATOM 0 H LYS A 22 -10.094 -13.906 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.523 -12.134 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.623 -14.250 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.673 -13.384 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.522 -11.959 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.082 -12.577 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.490 -11.115 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.815 -10.553 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.877 -9.444 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.785 -10.260 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.238 -7.954 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.583 -9.050 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.583 -8.331 1.028 1.00 0.00 H new ATOM 355 N VAL A 23 -7.148 -14.147 -0.259 1.00 0.00 N ATOM 356 CA VAL A 23 -6.111 -15.143 0.079 1.00 0.00 C ATOM 357 C VAL A 23 -6.171 -15.501 1.565 1.00 0.00 C ATOM 358 O VAL A 23 -6.349 -14.618 2.404 1.00 0.00 O ATOM 359 CB VAL A 23 -4.690 -14.655 -0.286 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.510 -14.554 -1.803 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.278 -13.301 0.302 1.00 0.00 C ATOM 0 H VAL A 23 -7.198 -13.391 0.423 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.320 -16.032 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.050 -15.416 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.501 -14.208 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.667 -15.534 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.234 -13.848 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.265 -13.058 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.964 -12.529 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.312 -13.351 1.390 1.00 0.00 H new ATOM 371 N LYS A 24 -6.038 -16.794 1.886 1.00 0.00 N ATOM 372 CA LYS A 24 -5.789 -17.323 3.229 1.00 0.00 C ATOM 373 C LYS A 24 -4.330 -17.013 3.632 1.00 0.00 C ATOM 374 O LYS A 24 -3.533 -16.743 2.738 1.00 0.00 O ATOM 375 CB LYS A 24 -6.136 -18.814 3.141 1.00 0.00 C ATOM 376 CG LYS A 24 -5.872 -19.560 4.437 1.00 0.00 C ATOM 377 CD LYS A 24 -6.599 -19.045 5.670 1.00 0.00 C ATOM 378 CE LYS A 24 -6.244 -19.980 6.829 1.00 0.00 C ATOM 379 NZ LYS A 24 -7.140 -21.168 6.900 1.00 0.00 N ATOM 0 H LYS A 24 -6.104 -17.531 1.184 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.393 -16.870 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.187 -18.922 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.554 -19.270 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.143 -20.606 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.801 -19.533 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.298 -18.022 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.676 -19.031 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.212 -20.314 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.303 -19.428 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.858 -21.768 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.123 -20.854 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.066 -21.712 6.017 1.00 0.00 H new ATOM 393 N LYS A 25 -3.975 -17.066 4.932 1.00 0.00 N ATOM 394 CA LYS A 25 -2.655 -16.797 5.578 1.00 0.00 C ATOM 395 C LYS A 25 -1.401 -17.344 4.860 1.00 0.00 C ATOM 396 O LYS A 25 -0.732 -18.256 5.354 1.00 0.00 O ATOM 397 CB LYS A 25 -2.650 -17.226 7.048 1.00 0.00 C ATOM 398 CG LYS A 25 -3.692 -16.584 7.964 1.00 0.00 C ATOM 399 CD LYS A 25 -3.384 -15.171 8.495 1.00 0.00 C ATOM 400 CE LYS A 25 -2.126 -15.130 9.376 1.00 0.00 C ATOM 401 NZ LYS A 25 -2.020 -13.858 10.135 1.00 0.00 N ATOM 0 H LYS A 25 -4.669 -17.323 5.634 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.564 -15.714 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.787 -18.307 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.663 -17.015 7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.638 -16.544 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.841 -17.242 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.255 -14.491 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.237 -14.809 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.144 -15.968 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.242 -15.254 8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.158 -13.871 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.977 -13.060 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.851 -13.751 10.751 1.00 0.00 H new ATOM 415 N GLY A 26 -1.076 -16.801 3.694 1.00 0.00 N ATOM 416 CA GLY A 26 0.094 -17.182 2.909 1.00 0.00 C ATOM 417 C GLY A 26 -0.182 -18.261 1.861 1.00 0.00 C ATOM 418 O GLY A 26 0.713 -19.042 1.549 1.00 0.00 O ATOM 0 H GLY A 26 -1.631 -16.066 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.487 -16.297 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.872 -17.538 3.585 1.00 0.00 H new ATOM 422 N GLN A 27 -1.426 -18.373 1.379 1.00 0.00 N ATOM 423 CA GLN A 27 -1.807 -19.321 0.326 1.00 0.00 C ATOM 424 C GLN A 27 -0.901 -19.271 -0.922 1.00 0.00 C ATOM 425 O GLN A 27 -0.365 -18.227 -1.287 1.00 0.00 O ATOM 426 CB GLN A 27 -3.314 -19.232 0.056 1.00 0.00 C ATOM 427 CG GLN A 27 -3.614 -18.401 -1.158 1.00 0.00 C ATOM 428 CD GLN A 27 -5.106 -18.308 -1.453 1.00 0.00 C ATOM 429 OE1 GLN A 27 -5.959 -18.372 -0.578 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.467 -18.207 -2.708 1.00 0.00 N ATOM 0 H GLN A 27 -2.203 -17.803 1.712 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.621 -20.331 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.719 -20.235 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.814 -18.802 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.213 -17.398 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.103 -18.828 -2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.758 -18.153 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.457 -18.182 -2.954 1.00 0.00 H new ATOM 439 N THR A 28 -0.767 -20.403 -1.611 1.00 0.00 N ATOM 440 CA THR A 28 -0.055 -20.538 -2.895 1.00 0.00 C ATOM 441 C THR A 28 -0.762 -19.759 -4.010 1.00 0.00 C ATOM 442 O THR A 28 -1.990 -19.785 -4.121 1.00 0.00 O ATOM 443 CB THR A 28 0.036 -22.022 -3.279 1.00 0.00 C ATOM 444 OG1 THR A 28 0.459 -22.800 -2.177 1.00 0.00 O ATOM 445 CG2 THR A 28 1.028 -22.283 -4.410 1.00 0.00 C ATOM 0 H THR A 28 -1.162 -21.285 -1.286 1.00 0.00 H new ATOM 0 HA THR A 28 0.946 -20.123 -2.774 1.00 0.00 H new ATOM 0 HB THR A 28 -0.967 -22.298 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.509 -23.742 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.049 -23.349 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.722 -21.729 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.022 -21.958 -4.104 1.00 0.00 H new ATOM 453 N LEU A 29 0.021 -19.081 -4.850 1.00 0.00 N ATOM 454 CA LEU A 29 -0.435 -18.091 -5.833 1.00 0.00 C ATOM 455 C LEU A 29 0.005 -18.402 -7.274 1.00 0.00 C ATOM 456 O LEU A 29 -0.796 -18.294 -8.202 1.00 0.00 O ATOM 457 CB LEU A 29 0.124 -16.731 -5.442 1.00 0.00 C ATOM 458 CG LEU A 29 -0.180 -16.198 -4.041 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.227 -14.737 -4.066 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.637 -16.284 -3.591 1.00 0.00 C ATOM 0 H LEU A 29 1.033 -19.210 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.525 -18.110 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.207 -16.772 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.244 -16.001 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 29 0.363 -16.821 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.036 -14.289 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.289 -14.659 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.351 -14.211 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.731 -15.877 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.263 -15.710 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.958 -17.326 -3.593 1.00 0.00 H new ATOM 472 N PHE A 30 1.259 -18.833 -7.459 1.00 0.00 N ATOM 473 CA PHE A 30 1.840 -19.161 -8.778 1.00 0.00 C ATOM 474 C PHE A 30 2.757 -20.381 -8.735 1.00 0.00 C ATOM 475 O PHE A 30 3.198 -20.831 -7.676 1.00 0.00 O ATOM 476 CB PHE A 30 2.635 -17.982 -9.383 1.00 0.00 C ATOM 477 CG PHE A 30 2.046 -16.595 -9.228 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.182 -15.879 -8.020 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.386 -16.012 -10.318 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.566 -14.625 -7.862 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.770 -14.763 -10.172 1.00 0.00 C ATOM 482 CZ PHE A 30 0.825 -14.095 -8.937 1.00 0.00 C ATOM 0 H PHE A 30 1.913 -18.968 -6.688 1.00 0.00 H new ATOM 0 HA PHE A 30 0.979 -19.383 -9.409 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.628 -17.979 -8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.767 -18.175 -10.448 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.763 -16.297 -7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.353 -16.525 -11.268 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.659 -14.079 -6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.253 -14.314 -11.007 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.293 -13.164 -8.810 1.00 0.00 H new ATOM 492 N ILE A 31 3.086 -20.868 -9.933 1.00 0.00 N ATOM 493 CA ILE A 31 4.076 -21.923 -10.200 1.00 0.00 C ATOM 494 C ILE A 31 4.964 -21.429 -11.349 1.00 0.00 C ATOM 495 O ILE A 31 4.466 -20.780 -12.265 1.00 0.00 O ATOM 496 CB ILE A 31 3.389 -23.251 -10.562 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.411 -23.624 -9.437 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.417 -24.384 -10.818 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.681 -24.941 -9.636 1.00 0.00 C ATOM 0 H ILE A 31 2.650 -20.523 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 31 4.675 -22.118 -9.310 1.00 0.00 H new ATOM 0 HB ILE A 31 2.839 -23.123 -11.495 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.961 -23.668 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.673 -22.828 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.889 -25.304 -11.070 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.071 -24.102 -11.643 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.014 -24.543 -9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.014 -25.119 -8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.098 -24.899 -10.556 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.406 -25.752 -9.703 1.00 0.00 H new ATOM 511 N ILE A 32 6.251 -21.753 -11.307 1.00 0.00 N ATOM 512 CA ILE A 32 7.283 -21.397 -12.284 1.00 0.00 C ATOM 513 C ILE A 32 8.027 -22.621 -12.779 1.00 0.00 C ATOM 514 O ILE A 32 8.144 -23.610 -12.068 1.00 0.00 O ATOM 515 CB ILE A 32 8.244 -20.366 -11.648 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.512 -19.015 -11.651 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.629 -20.226 -12.325 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.299 -17.923 -10.933 1.00 0.00 C ATOM 0 H ILE A 32 6.630 -22.308 -10.540 1.00 0.00 H new ATOM 0 HA ILE A 32 6.809 -20.951 -13.158 1.00 0.00 H new ATOM 0 HB ILE A 32 8.483 -20.723 -10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.327 -18.708 -12.680 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.539 -19.131 -11.173 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.218 -19.477 -11.796 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.148 -21.184 -12.294 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.497 -19.918 -13.362 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.737 -16.989 -10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.462 -18.214 -9.895 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.261 -17.784 -11.426 1.00 0.00 H new ATOM 530 N GLU A 33 8.564 -22.507 -13.990 1.00 0.00 N ATOM 531 CA GLU A 33 9.472 -23.455 -14.611 1.00 0.00 C ATOM 532 C GLU A 33 10.817 -22.776 -14.883 1.00 0.00 C ATOM 533 O GLU A 33 10.894 -21.798 -15.630 1.00 0.00 O ATOM 534 CB GLU A 33 8.824 -23.970 -15.898 1.00 0.00 C ATOM 535 CG GLU A 33 9.502 -25.239 -16.385 1.00 0.00 C ATOM 536 CD GLU A 33 8.646 -25.930 -17.456 1.00 0.00 C ATOM 537 OE1 GLU A 33 7.603 -26.532 -17.112 1.00 0.00 O ATOM 538 OE2 GLU A 33 9.003 -25.897 -18.656 1.00 0.00 O ATOM 0 H GLU A 33 8.365 -21.708 -14.592 1.00 0.00 H new ATOM 0 HA GLU A 33 9.662 -24.302 -13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.766 -24.164 -15.723 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.884 -23.203 -16.670 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.483 -25.000 -16.794 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.663 -25.917 -15.547 1.00 0.00 H new ATOM 545 N GLN A 34 11.858 -23.293 -14.228 1.00 0.00 N ATOM 546 CA GLN A 34 13.239 -22.827 -14.375 1.00 0.00 C ATOM 547 C GLN A 34 13.794 -23.076 -15.770 1.00 0.00 C ATOM 548 O GLN A 34 14.291 -22.167 -16.434 1.00 0.00 O ATOM 549 CB GLN A 34 14.093 -23.466 -13.267 1.00 0.00 C ATOM 550 CG GLN A 34 13.750 -22.842 -11.902 1.00 0.00 C ATOM 551 CD GLN A 34 14.720 -23.219 -10.787 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.939 -23.170 -10.932 1.00 0.00 O ATOM 553 NE2 GLN A 34 14.236 -23.539 -9.605 1.00 0.00 N ATOM 0 H GLN A 34 11.763 -24.064 -13.566 1.00 0.00 H new ATOM 0 HA GLN A 34 13.266 -21.744 -14.259 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.917 -24.541 -13.237 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.151 -23.322 -13.485 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.733 -21.757 -12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.745 -23.151 -11.615 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.227 -23.586 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.870 -23.740 -8.832 1.00 0.00 H new ATOM 1048 N HIS A 67 10.373 -27.160 -11.382 1.00 0.00 N ATOM 1049 CA HIS A 67 9.308 -26.262 -10.978 1.00 0.00 C ATOM 1050 C HIS A 67 9.558 -25.631 -9.608 1.00 0.00 C ATOM 1051 O HIS A 67 10.137 -26.266 -8.721 1.00 0.00 O ATOM 1052 CB HIS A 67 7.950 -27.007 -10.973 1.00 0.00 C ATOM 1053 CG HIS A 67 7.386 -27.352 -12.336 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.467 -28.373 -12.604 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.622 -26.677 -13.498 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.210 -28.302 -13.922 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.895 -27.292 -14.482 1.00 0.00 N ATOM 0 HA HIS A 67 9.283 -25.453 -11.708 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.064 -27.929 -10.403 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.221 -26.393 -10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.264 -25.817 -13.619 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.545 -28.965 -14.456 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.877 -27.029 -15.467 1.00 0.00 H new ATOM 1065 N THR A 68 9.055 -24.407 -9.399 1.00 0.00 N ATOM 1066 CA THR A 68 9.120 -23.710 -8.105 1.00 0.00 C ATOM 1067 C THR A 68 7.805 -22.982 -7.840 1.00 0.00 C ATOM 1068 O THR A 68 7.236 -22.364 -8.738 1.00 0.00 O ATOM 1069 CB THR A 68 10.307 -22.737 -8.099 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.507 -23.407 -8.437 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.528 -22.104 -6.729 1.00 0.00 C ATOM 0 H THR A 68 8.588 -23.868 -10.128 1.00 0.00 H new ATOM 0 HA THR A 68 9.271 -24.436 -7.306 1.00 0.00 H new ATOM 0 HB THR A 68 10.063 -21.966 -8.829 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.198 -23.194 -7.776 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.378 -21.424 -6.775 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.636 -21.550 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.728 -22.885 -5.995 1.00 0.00 H new ATOM 1079 N GLU A 69 7.302 -23.058 -6.609 1.00 0.00 N ATOM 1080 CA GLU A 69 6.012 -22.473 -6.207 1.00 0.00 C ATOM 1081 C GLU A 69 6.189 -21.109 -5.524 1.00 0.00 C ATOM 1082 O GLU A 69 7.223 -20.835 -4.908 1.00 0.00 O ATOM 1083 CB GLU A 69 5.258 -23.434 -5.275 1.00 0.00 C ATOM 1084 CG GLU A 69 4.949 -24.781 -5.938 1.00 0.00 C ATOM 1085 CD GLU A 69 4.141 -25.693 -4.994 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.734 -26.266 -4.049 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.914 -25.867 -5.197 1.00 0.00 O ATOM 0 H GLU A 69 7.783 -23.534 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 69 5.428 -22.316 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.852 -23.604 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.325 -22.968 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.388 -24.617 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.880 -25.275 -6.216 1.00 0.00 H new ATOM 1094 N ILE A 70 5.171 -20.256 -5.627 1.00 0.00 N ATOM 1095 CA ILE A 70 5.152 -18.892 -5.094 1.00 0.00 C ATOM 1096 C ILE A 70 3.888 -18.727 -4.248 1.00 0.00 C ATOM 1097 O ILE A 70 2.808 -19.159 -4.663 1.00 0.00 O ATOM 1098 CB ILE A 70 5.226 -17.830 -6.214 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.502 -17.963 -7.069 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.207 -16.416 -5.603 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.400 -18.980 -8.203 1.00 0.00 C ATOM 0 H ILE A 70 4.303 -20.504 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 70 6.036 -18.735 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 70 4.359 -17.993 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.744 -16.988 -7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.332 -18.243 -6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.260 -15.674 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.286 -16.276 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.062 -16.295 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.341 -19.008 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.191 -19.967 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.594 -18.692 -8.879 1.00 0.00 H new ATOM 1113 N LYS A 71 4.015 -18.080 -3.085 1.00 0.00 N ATOM 1114 CA LYS A 71 2.958 -17.975 -2.069 1.00 0.00 C ATOM 1115 C LYS A 71 2.842 -16.570 -1.464 1.00 0.00 C ATOM 1116 O LYS A 71 3.811 -15.818 -1.425 1.00 0.00 O ATOM 1117 CB LYS A 71 3.198 -19.044 -0.987 1.00 0.00 C ATOM 1118 CG LYS A 71 4.502 -18.835 -0.184 1.00 0.00 C ATOM 1119 CD LYS A 71 4.761 -19.931 0.858 1.00 0.00 C ATOM 1120 CE LYS A 71 3.722 -19.909 1.988 1.00 0.00 C ATOM 1121 NZ LYS A 71 4.068 -20.874 3.063 1.00 0.00 N ATOM 0 H LYS A 71 4.875 -17.603 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 71 1.999 -18.155 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.354 -19.046 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.226 -20.026 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.343 -18.796 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.459 -17.869 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.745 -20.906 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.758 -19.802 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.658 -18.904 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.738 -20.149 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.346 -20.834 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.105 -21.835 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.996 -20.629 3.464 1.00 0.00 H new ATOM 1135 N ALA A 72 1.647 -16.228 -0.988 1.00 0.00 N ATOM 1136 CA ALA A 72 1.353 -14.976 -0.292 1.00 0.00 C ATOM 1137 C ALA A 72 2.106 -14.866 1.054 1.00 0.00 C ATOM 1138 O ALA A 72 2.598 -15.869 1.582 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.176 -14.893 -0.091 1.00 0.00 C ATOM 0 H ALA A 72 0.831 -16.833 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 72 1.700 -14.136 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.425 -13.967 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.672 -14.911 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.511 -15.743 0.503 1.00 0.00 H new ATOM 1145 N PRO A 73 2.129 -13.667 1.659 1.00 0.00 N ATOM 1146 CA PRO A 73 2.612 -13.467 3.032 1.00 0.00 C ATOM 1147 C PRO A 73 1.618 -13.839 4.152 1.00 0.00 C ATOM 1148 O PRO A 73 2.004 -14.374 5.193 1.00 0.00 O ATOM 1149 CB PRO A 73 2.833 -11.954 3.114 1.00 0.00 C ATOM 1150 CG PRO A 73 1.815 -11.370 2.136 1.00 0.00 C ATOM 1151 CD PRO A 73 1.885 -12.382 1.002 1.00 0.00 C ATOM 0 HA PRO A 73 3.480 -14.107 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.671 -11.583 4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.852 -11.685 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.817 -11.306 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.086 -10.366 1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.957 -12.400 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.685 -12.137 0.303 1.00 0.00 H new ATOM 1159 N PHE A 74 0.344 -13.498 3.949 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.713 -13.456 4.961 1.00 0.00 C ATOM 1161 C PHE A 74 -2.135 -13.527 4.360 1.00 0.00 C ATOM 1162 O PHE A 74 -2.302 -13.710 3.156 1.00 0.00 O ATOM 1163 CB PHE A 74 -0.516 -12.154 5.774 1.00 0.00 C ATOM 1164 CG PHE A 74 -0.421 -10.852 4.969 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -1.477 -10.416 4.146 1.00 0.00 C ATOM 1166 CD2 PHE A 74 0.766 -10.088 4.982 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -1.341 -9.281 3.327 1.00 0.00 C ATOM 1168 CE2 PHE A 74 0.891 -8.928 4.194 1.00 0.00 C ATOM 1169 CZ PHE A 74 -0.160 -8.528 3.354 1.00 0.00 C ATOM 0 H PHE A 74 0.004 -13.230 3.026 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.632 -14.337 5.598 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.345 -12.061 6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.393 -12.256 6.366 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.408 -10.963 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.591 -10.398 5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.150 -8.989 2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.799 -8.344 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.059 -7.649 2.735 1.00 0.00 H new ATOM 1179 N ASP A 75 -3.158 -13.404 5.215 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.578 -13.362 4.825 1.00 0.00 C ATOM 1181 C ASP A 75 -4.991 -11.939 4.432 1.00 0.00 C ATOM 1182 O ASP A 75 -4.647 -10.971 5.115 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.453 -13.855 5.985 1.00 0.00 C ATOM 1184 CG ASP A 75 -6.939 -14.041 5.631 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -7.655 -13.023 5.475 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -7.395 -15.207 5.571 1.00 0.00 O ATOM 0 H ASP A 75 -3.021 -13.329 6.223 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.718 -14.014 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.057 -14.805 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.375 -13.146 6.809 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.733 -11.803 3.335 1.00 0.00 N ATOM 1192 CA GLY A 76 -6.086 -10.497 2.785 1.00 0.00 C ATOM 1193 C GLY A 76 -6.774 -10.559 1.428 1.00 0.00 C ATOM 1194 O GLY A 76 -7.362 -11.567 1.034 1.00 0.00 O ATOM 0 H GLY A 76 -6.105 -12.591 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.741 -9.983 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.181 -9.896 2.694 1.00 0.00 H new ATOM 1198 N THR A 77 -6.674 -9.445 0.707 1.00 0.00 N ATOM 1199 CA THR A 77 -7.173 -9.244 -0.661 1.00 0.00 C ATOM 1200 C THR A 77 -5.996 -9.113 -1.614 1.00 0.00 C ATOM 1201 O THR A 77 -4.879 -8.806 -1.194 1.00 0.00 O ATOM 1202 CB THR A 77 -8.049 -7.980 -0.714 1.00 0.00 C ATOM 1203 OG1 THR A 77 -8.924 -7.984 0.396 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.947 -7.856 -1.941 1.00 0.00 C ATOM 0 H THR A 77 -6.219 -8.610 1.077 1.00 0.00 H new ATOM 0 HA THR A 77 -7.778 -10.100 -0.960 1.00 0.00 H new ATOM 0 HB THR A 77 -7.339 -7.153 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.249 -7.074 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.521 -6.932 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.333 -7.843 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.629 -8.705 -1.980 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.217 -9.385 -2.896 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.129 -9.514 -3.866 1.00 0.00 C ATOM 1214 C ILE A 78 -5.488 -8.874 -5.213 1.00 0.00 C ATOM 1215 O ILE A 78 -6.602 -9.023 -5.717 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.716 -11.000 -3.906 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.388 -11.161 -4.649 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.827 -11.928 -4.436 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.683 -12.478 -4.370 1.00 0.00 C ATOM 0 H ILE A 78 -7.147 -9.522 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.248 -8.946 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.562 -11.328 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.570 -11.077 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.726 -10.340 -4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.471 -12.958 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.704 -11.849 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.093 -11.634 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.750 -12.518 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.468 -12.557 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.325 -13.305 -4.673 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.550 -8.088 -5.749 1.00 0.00 N ATOM 1232 CA GLY A 79 -4.768 -7.209 -6.904 1.00 0.00 C ATOM 1233 C GLY A 79 -4.783 -7.899 -8.267 1.00 0.00 C ATOM 1234 O GLY A 79 -4.915 -9.118 -8.366 1.00 0.00 O ATOM 0 H GLY A 79 -3.598 -8.043 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.717 -6.691 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.988 -6.448 -6.911 1.00 0.00 H new ATOM 1238 N ASP A 80 -4.653 -7.113 -9.341 1.00 0.00 N ATOM 1239 CA ASP A 80 -4.435 -7.631 -10.697 1.00 0.00 C ATOM 1240 C ASP A 80 -3.130 -8.435 -10.831 1.00 0.00 C ATOM 1241 O ASP A 80 -2.045 -8.003 -10.447 1.00 0.00 O ATOM 1242 CB ASP A 80 -4.538 -6.542 -11.766 1.00 0.00 C ATOM 1243 CG ASP A 80 -3.755 -5.251 -11.450 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -4.133 -4.532 -10.494 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -2.765 -4.951 -12.155 1.00 0.00 O ATOM 0 H ASP A 80 -4.696 -6.095 -9.295 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.251 -8.331 -10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.179 -6.946 -12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.589 -6.288 -11.906 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.294 -9.621 -11.401 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.357 -10.722 -11.479 1.00 0.00 C ATOM 1252 C ALA A 81 -1.112 -10.616 -12.374 1.00 0.00 C ATOM 1253 O ALA A 81 -0.441 -11.638 -12.470 1.00 0.00 O ATOM 1254 CB ALA A 81 -3.217 -11.927 -11.872 1.00 0.00 C ATOM 0 H ALA A 81 -4.173 -9.854 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.864 -10.775 -10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.587 -12.812 -11.955 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.979 -12.094 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.698 -11.733 -12.831 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.855 -9.454 -13.007 1.00 0.00 N ATOM 1261 CA LEU A 82 0.231 -8.891 -13.839 1.00 0.00 C ATOM 1262 C LEU A 82 0.934 -9.803 -14.853 1.00 0.00 C ATOM 1263 O LEU A 82 1.687 -9.315 -15.702 1.00 0.00 O ATOM 1264 CB LEU A 82 1.233 -8.123 -12.963 1.00 0.00 C ATOM 1265 CG LEU A 82 0.740 -6.798 -12.380 1.00 0.00 C ATOM 1266 CD1 LEU A 82 1.549 -6.388 -11.145 1.00 0.00 C ATOM 1267 CD2 LEU A 82 0.949 -5.747 -13.450 1.00 0.00 C ATOM 0 H LEU A 82 -1.571 -8.732 -12.922 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.303 -8.217 -14.508 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.534 -8.770 -12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.126 -7.926 -13.556 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.304 -6.899 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.169 -5.442 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.456 -7.156 -10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.598 -6.274 -11.419 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.611 -4.779 -13.080 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.008 -5.689 -13.702 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.379 -6.015 -14.339 1.00 0.00 H new ATOM 1279 N VAL A 83 0.670 -11.100 -14.800 1.00 0.00 N ATOM 1280 CA VAL A 83 1.375 -12.144 -15.509 1.00 0.00 C ATOM 1281 C VAL A 83 0.449 -13.290 -15.907 1.00 0.00 C ATOM 1282 O VAL A 83 -0.630 -13.472 -15.338 1.00 0.00 O ATOM 1283 CB VAL A 83 2.582 -12.685 -14.696 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.472 -11.584 -14.096 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.183 -13.583 -13.513 1.00 0.00 C ATOM 0 H VAL A 83 -0.088 -11.468 -14.225 1.00 0.00 H new ATOM 0 HA VAL A 83 1.759 -11.687 -16.421 1.00 0.00 H new ATOM 0 HB VAL A 83 3.125 -13.255 -15.450 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.293 -12.041 -13.543 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.875 -10.965 -14.897 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.880 -10.965 -13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.080 -13.922 -12.994 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.556 -13.018 -12.823 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.630 -14.446 -13.882 1.00 0.00 H new ATOM 1295 N ASN A 84 0.895 -14.105 -16.855 1.00 0.00 N ATOM 1296 CA ASN A 84 0.215 -15.275 -17.357 1.00 0.00 C ATOM 1297 C ASN A 84 1.227 -16.386 -17.621 1.00 0.00 C ATOM 1298 O ASN A 84 2.434 -16.164 -17.637 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.484 -14.925 -18.675 1.00 0.00 C ATOM 1300 CG ASN A 84 -1.195 -13.588 -18.729 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.386 -13.471 -18.467 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.502 -12.545 -19.103 1.00 0.00 N ATOM 0 H ASN A 84 1.792 -13.951 -17.315 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.515 -15.609 -16.620 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.259 -14.949 -19.472 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.211 -15.707 -18.894 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.953 -11.633 -19.177 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.490 -12.643 -19.321 1.00 0.00 H new ATOM 1309 N ILE A 85 0.720 -17.582 -17.891 1.00 0.00 N ATOM 1310 CA ILE A 85 1.478 -18.793 -18.214 1.00 0.00 C ATOM 1311 C ILE A 85 2.292 -18.559 -19.496 1.00 0.00 C ATOM 1312 O ILE A 85 1.728 -18.550 -20.594 1.00 0.00 O ATOM 1313 CB ILE A 85 0.478 -19.955 -18.353 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.225 -20.316 -17.016 1.00 0.00 C ATOM 1315 CG2 ILE A 85 1.168 -21.238 -18.846 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.123 -19.253 -16.368 1.00 0.00 C ATOM 0 H ILE A 85 -0.287 -17.747 -17.892 1.00 0.00 H new ATOM 0 HA ILE A 85 2.190 -19.043 -17.428 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.259 -19.599 -19.073 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.830 -21.207 -17.186 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.546 -20.587 -16.295 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.432 -22.037 -18.932 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.622 -21.056 -19.820 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.940 -21.532 -18.135 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.544 -19.647 -15.443 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.533 -18.363 -16.148 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.930 -18.993 -17.052 1.00 0.00 H new ATOM 1328 N GLY A 86 3.596 -18.292 -19.367 1.00 0.00 N ATOM 1329 CA GLY A 86 4.450 -17.922 -20.498 1.00 0.00 C ATOM 1330 C GLY A 86 5.077 -16.538 -20.339 1.00 0.00 C ATOM 1331 O GLY A 86 6.041 -16.246 -21.050 1.00 0.00 O ATOM 0 H GLY A 86 4.088 -18.327 -18.474 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.241 -18.664 -20.608 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.861 -17.946 -21.415 1.00 0.00 H new ATOM 1335 N ASP A 87 4.587 -15.685 -19.425 1.00 0.00 N ATOM 1336 CA ASP A 87 5.304 -14.463 -19.080 1.00 0.00 C ATOM 1337 C ASP A 87 6.641 -14.834 -18.433 1.00 0.00 C ATOM 1338 O ASP A 87 6.705 -15.639 -17.487 1.00 0.00 O ATOM 1339 CB ASP A 87 4.482 -13.554 -18.161 1.00 0.00 C ATOM 1340 CG ASP A 87 3.545 -12.655 -18.976 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.044 -11.692 -19.608 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.319 -12.894 -18.960 1.00 0.00 O ATOM 0 H ASP A 87 3.710 -15.822 -18.922 1.00 0.00 H new ATOM 0 HA ASP A 87 5.484 -13.897 -19.994 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.899 -14.162 -17.469 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.151 -12.938 -17.559 1.00 0.00 H new ATOM 1347 N TYR A 88 7.711 -14.260 -18.991 1.00 0.00 N ATOM 1348 CA TYR A 88 9.064 -14.448 -18.487 1.00 0.00 C ATOM 1349 C TYR A 88 9.222 -13.675 -17.187 1.00 0.00 C ATOM 1350 O TYR A 88 9.305 -12.441 -17.196 1.00 0.00 O ATOM 1351 CB TYR A 88 10.116 -14.053 -19.532 1.00 0.00 C ATOM 1352 CG TYR A 88 11.396 -14.805 -19.255 1.00 0.00 C ATOM 1353 CD1 TYR A 88 12.305 -14.359 -18.275 1.00 0.00 C ATOM 1354 CD2 TYR A 88 11.542 -16.078 -19.827 1.00 0.00 C ATOM 1355 CE1 TYR A 88 13.338 -15.216 -17.840 1.00 0.00 C ATOM 1356 CE2 TYR A 88 12.524 -16.960 -19.357 1.00 0.00 C ATOM 1357 CZ TYR A 88 13.436 -16.528 -18.367 1.00 0.00 C ATOM 1358 OH TYR A 88 14.383 -17.382 -17.906 1.00 0.00 O ATOM 0 H TYR A 88 7.657 -13.651 -19.807 1.00 0.00 H new ATOM 0 HA TYR A 88 9.229 -15.506 -18.283 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.755 -14.283 -20.534 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.296 -12.979 -19.496 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.212 -13.367 -17.859 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.893 -16.380 -20.635 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.053 -14.873 -17.107 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.584 -17.965 -19.749 1.00 0.00 H new ATOM 0 HH TYR A 88 14.307 -18.239 -18.376 1.00 0.00 H new ATOM 1368 N VAL A 89 9.271 -14.411 -16.077 1.00 0.00 N ATOM 1369 CA VAL A 89 9.494 -13.793 -14.752 1.00 0.00 C ATOM 1370 C VAL A 89 10.838 -14.136 -14.103 1.00 0.00 C ATOM 1371 O VAL A 89 11.374 -15.237 -14.228 1.00 0.00 O ATOM 1372 CB VAL A 89 8.341 -14.030 -13.773 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.036 -13.412 -14.275 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.132 -15.520 -13.497 1.00 0.00 C ATOM 0 H VAL A 89 9.162 -15.425 -16.058 1.00 0.00 H new ATOM 0 HA VAL A 89 9.529 -12.727 -14.976 1.00 0.00 H new ATOM 0 HB VAL A 89 8.622 -13.539 -12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.242 -13.602 -13.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.166 -12.337 -14.397 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.768 -13.856 -15.234 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.305 -15.648 -12.798 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.901 -16.034 -14.430 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.040 -15.941 -13.066 1.00 0.00 H new ATOM 1384 N SER A 90 11.382 -13.181 -13.362 1.00 0.00 N ATOM 1385 CA SER A 90 12.692 -13.261 -12.724 1.00 0.00 C ATOM 1386 C SER A 90 12.609 -12.733 -11.291 1.00 0.00 C ATOM 1387 O SER A 90 11.905 -11.758 -11.026 1.00 0.00 O ATOM 1388 CB SER A 90 13.672 -12.516 -13.614 1.00 0.00 C ATOM 1389 OG SER A 90 14.913 -12.348 -12.949 1.00 0.00 O ATOM 0 H SER A 90 10.907 -12.296 -13.181 1.00 0.00 H new ATOM 0 HA SER A 90 13.046 -14.287 -12.625 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.821 -13.067 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.262 -11.543 -13.883 1.00 0.00 H new ATOM 0 HG SER A 90 15.535 -11.868 -13.534 1.00 0.00 H new ATOM 1395 N ALA A 91 13.325 -13.398 -10.373 1.00 0.00 N ATOM 1396 CA ALA A 91 13.177 -13.299 -8.917 1.00 0.00 C ATOM 1397 C ALA A 91 12.786 -11.962 -8.341 1.00 0.00 C ATOM 1398 O ALA A 91 11.625 -11.775 -7.990 1.00 0.00 O ATOM 1399 CB ALA A 91 14.374 -13.953 -8.221 1.00 0.00 C ATOM 0 H ALA A 91 14.060 -14.052 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 91 12.275 -13.867 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.254 -13.874 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.430 -15.004 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.291 -13.447 -8.522 1.00 0.00 H new ATOM 1405 N SER A 92 13.709 -11.024 -8.303 1.00 0.00 N ATOM 1406 CA SER A 92 13.372 -9.707 -7.757 1.00 0.00 C ATOM 1407 C SER A 92 12.972 -8.699 -8.853 1.00 0.00 C ATOM 1408 O SER A 92 12.604 -7.558 -8.556 1.00 0.00 O ATOM 1409 CB SER A 92 14.523 -9.161 -6.908 1.00 0.00 C ATOM 1410 OG SER A 92 14.831 -10.060 -5.846 1.00 0.00 O ATOM 0 H SER A 92 14.669 -11.132 -8.629 1.00 0.00 H new ATOM 0 HA SER A 92 12.499 -9.842 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.404 -9.011 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.252 -8.187 -6.501 1.00 0.00 H new ATOM 0 HG SER A 92 15.570 -9.697 -5.314 1.00 0.00 H new ATOM 1416 N THR A 93 13.040 -9.119 -10.122 1.00 0.00 N ATOM 1417 CA THR A 93 12.976 -8.262 -11.320 1.00 0.00 C ATOM 1418 C THR A 93 11.584 -8.156 -11.950 1.00 0.00 C ATOM 1419 O THR A 93 11.353 -7.267 -12.772 1.00 0.00 O ATOM 1420 CB THR A 93 13.983 -8.790 -12.362 1.00 0.00 C ATOM 1421 OG1 THR A 93 15.234 -9.056 -11.756 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.266 -7.839 -13.527 1.00 0.00 C ATOM 0 H THR A 93 13.146 -10.106 -10.356 1.00 0.00 H new ATOM 0 HA THR A 93 13.227 -7.252 -10.996 1.00 0.00 H new ATOM 0 HB THR A 93 13.503 -9.685 -12.757 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.860 -9.392 -12.431 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.985 -8.298 -14.205 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.339 -7.635 -14.064 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.676 -6.905 -13.143 1.00 0.00 H new ATOM 1430 N THR A 94 10.629 -9.010 -11.575 1.00 0.00 N ATOM 1431 CA THR A 94 9.335 -9.133 -12.244 1.00 0.00 C ATOM 1432 C THR A 94 8.287 -9.402 -11.190 1.00 0.00 C ATOM 1433 O THR A 94 8.364 -10.336 -10.394 1.00 0.00 O ATOM 1434 CB THR A 94 9.326 -10.235 -13.316 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.572 -10.411 -13.957 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.326 -9.868 -14.402 1.00 0.00 C ATOM 0 H THR A 94 10.736 -9.645 -10.784 1.00 0.00 H new ATOM 0 HA THR A 94 9.122 -8.202 -12.770 1.00 0.00 H new ATOM 0 HB THR A 94 9.070 -11.158 -12.795 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.427 -10.724 -14.874 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.316 -10.646 -15.165 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.332 -9.775 -13.965 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.613 -8.919 -14.855 1.00 0.00 H new ATOM 1444 N GLU A 95 7.330 -8.488 -11.172 1.00 0.00 N ATOM 1445 CA GLU A 95 6.379 -8.320 -10.095 1.00 0.00 C ATOM 1446 C GLU A 95 5.029 -8.901 -10.515 1.00 0.00 C ATOM 1447 O GLU A 95 4.487 -8.570 -11.574 1.00 0.00 O ATOM 1448 CB GLU A 95 6.377 -6.854 -9.633 1.00 0.00 C ATOM 1449 CG GLU A 95 7.469 -5.947 -10.209 1.00 0.00 C ATOM 1450 CD GLU A 95 7.542 -4.585 -9.500 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.693 -3.700 -9.767 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.475 -4.396 -8.681 1.00 0.00 O ATOM 0 H GLU A 95 7.193 -7.823 -11.933 1.00 0.00 H new ATOM 0 HA GLU A 95 6.660 -8.886 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.409 -6.420 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.462 -6.840 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.433 -6.448 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.282 -5.790 -11.271 1.00 0.00 H new ATOM 1459 N LEU A 96 4.524 -9.810 -9.689 1.00 0.00 N ATOM 1460 CA LEU A 96 3.436 -10.724 -10.058 1.00 0.00 C ATOM 1461 C LEU A 96 2.028 -10.215 -9.752 1.00 0.00 C ATOM 1462 O LEU A 96 1.111 -10.487 -10.504 1.00 0.00 O ATOM 1463 CB LEU A 96 3.653 -12.045 -9.319 1.00 0.00 C ATOM 1464 CG LEU A 96 5.051 -12.677 -9.457 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.293 -13.693 -8.347 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.220 -13.358 -10.810 1.00 0.00 C ATOM 0 H LEU A 96 4.858 -9.939 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 96 3.480 -10.830 -11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.453 -11.882 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.915 -12.763 -9.676 1.00 0.00 H new ATOM 0 HG LEU A 96 5.781 -11.872 -9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.286 -14.128 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.224 -13.197 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.542 -14.481 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.217 -13.794 -10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.472 -14.144 -10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.092 -12.624 -11.605 1.00 0.00 H new ATOM 1478 N VAL A 97 1.843 -9.526 -8.629 1.00 0.00 N ATOM 1479 CA VAL A 97 0.568 -8.987 -8.124 1.00 0.00 C ATOM 1480 C VAL A 97 0.876 -8.219 -6.825 1.00 0.00 C ATOM 1481 O VAL A 97 2.011 -8.265 -6.346 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.488 -10.094 -7.904 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.107 -11.135 -6.873 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.832 -9.536 -7.465 1.00 0.00 C ATOM 0 H VAL A 97 2.621 -9.312 -8.005 1.00 0.00 H new ATOM 0 HA VAL A 97 0.129 -8.317 -8.863 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.548 -10.563 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.907 -11.870 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.812 -11.633 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.048 -10.652 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.538 -10.355 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.712 -8.995 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.211 -8.857 -8.229 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.109 -7.571 -6.199 1.00 0.00 N ATOM 1495 CA ARG A 98 -0.011 -7.020 -4.839 1.00 0.00 C ATOM 1496 C ARG A 98 -0.876 -7.775 -3.824 1.00 0.00 C ATOM 1497 O ARG A 98 -2.003 -8.125 -4.172 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.340 -5.511 -4.863 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.772 -5.257 -5.339 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.093 -3.756 -5.400 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.357 -3.504 -6.130 1.00 0.00 N ATOM 1502 CZ ARG A 98 -3.556 -3.618 -7.433 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -2.607 -3.883 -8.275 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -4.739 -3.517 -7.956 1.00 0.00 N ATOM 0 H ARG A 98 -1.019 -7.409 -6.631 1.00 0.00 H new ATOM 0 HA ARG A 98 1.017 -7.153 -4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.208 -5.093 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.360 -4.995 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.911 -5.699 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.472 -5.752 -4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.169 -3.357 -4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.276 -3.227 -5.890 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.158 -3.212 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.652 -4.014 -7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.815 -3.960 -9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.548 -3.345 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.860 -3.610 -8.965 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.409 -7.976 -2.584 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.204 -8.640 -1.521 1.00 0.00 C ATOM 1520 C VAL A 99 -1.441 -7.638 -0.395 1.00 0.00 C ATOM 1521 O VAL A 99 -0.523 -6.930 0.022 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.541 -9.938 -0.997 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.603 -10.796 -0.302 1.00 0.00 C ATOM 1524 CG2 VAL A 99 0.063 -10.780 -2.127 1.00 0.00 C ATOM 0 H VAL A 99 0.522 -7.688 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.158 -8.954 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 99 0.256 -9.641 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.144 -11.712 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.031 -10.240 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.390 -11.047 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.516 -11.679 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.721 -11.062 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.824 -10.199 -2.647 1.00 0.00 H new ATOM 1534 N THR A 100 -2.695 -7.504 0.041 1.00 0.00 N ATOM 1535 CA THR A 100 -3.114 -6.424 0.933 1.00 0.00 C ATOM 1536 C THR A 100 -4.130 -6.875 1.992 1.00 0.00 C ATOM 1537 O THR A 100 -5.253 -7.269 1.689 1.00 0.00 O ATOM 1538 CB THR A 100 -3.528 -5.219 0.065 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.212 -4.043 0.775 1.00 0.00 O ATOM 1540 CG2 THR A 100 -4.994 -5.160 -0.359 1.00 0.00 C ATOM 0 H THR A 100 -3.448 -8.142 -0.215 1.00 0.00 H new ATOM 0 HA THR A 100 -2.282 -6.100 1.558 1.00 0.00 H new ATOM 0 HB THR A 100 -2.975 -5.327 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.465 -3.261 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.162 -4.269 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.240 -6.047 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.628 -5.122 0.527 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.726 -6.883 3.265 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.522 -7.393 4.397 1.00 0.00 C ATOM 1550 C ASN A 101 -5.805 -6.584 4.687 1.00 0.00 C ATOM 1551 O ASN A 101 -6.689 -7.084 5.384 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.581 -7.493 5.615 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.285 -7.783 6.931 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -4.449 -6.912 7.776 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -4.709 -9.006 7.156 1.00 0.00 N ATOM 0 H ASN A 101 -2.814 -6.527 3.550 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.912 -8.378 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.848 -8.278 5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.030 -6.558 5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.175 -9.231 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.572 -9.731 6.452 1.00 0.00 H new