USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 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= 0.487 USER MOD Set 1.2: A 93 THR OG1 : rot 119:sc= 0.528 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.842 K(o=1.6,f=-0.58) USER MOD Set 2.2: A 68 THR OG1 : rot -128:sc= 0.74 USER MOD Set 3.1: A 22 LYS NZ :NH3+ 171:sc= 0.875 (180deg=0) USER MOD Set 3.2: A 77 THR OG1 : rot 180:sc= 0.762 USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 2.14 (180deg=1.21) USER MOD Single : A 7 GLN : amide:sc= 1.01 K(o=1,f=-0.15) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.329 K(o=0.33,f=-3.8!) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0.843 (180deg=0.812) USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= 0.944 (180deg=0.0503) USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= 1.22 (180deg=1.04) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.547 K(o=-0.55,f=-4.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.876 K(o=0.88,f=-0.02) 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 -120:sc= 0.0382 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.754 K(o=0.75,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 1.887 -5.308 -0.178 1.00 0.00 N ATOM 16 CA VAL A 2 2.961 -6.055 -0.866 1.00 0.00 C ATOM 17 C VAL A 2 2.813 -5.989 -2.370 1.00 0.00 C ATOM 18 O VAL A 2 1.706 -6.009 -2.874 1.00 0.00 O ATOM 19 CB VAL A 2 2.910 -7.536 -0.477 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.529 -8.590 -1.408 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.558 -7.735 0.877 1.00 0.00 C ATOM 0 HA VAL A 2 3.903 -5.596 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 2 1.837 -7.721 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.400 -9.581 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.035 -8.553 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.592 -8.385 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.518 -8.790 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.598 -7.410 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.025 -7.148 1.625 1.00 0.00 H new ATOM 31 N ILE A 3 3.939 -6.044 -3.064 1.00 0.00 N ATOM 32 CA ILE A 3 4.085 -6.292 -4.500 1.00 0.00 C ATOM 33 C ILE A 3 4.801 -7.653 -4.537 1.00 0.00 C ATOM 34 O ILE A 3 6.013 -7.726 -4.307 1.00 0.00 O ATOM 35 CB ILE A 3 4.899 -5.176 -5.189 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.217 -3.791 -5.225 1.00 0.00 C ATOM 37 CG2 ILE A 3 5.185 -5.567 -6.653 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.896 -3.116 -3.887 1.00 0.00 C ATOM 0 H ILE A 3 4.843 -5.907 -2.611 1.00 0.00 H new ATOM 0 HA ILE A 3 3.139 -6.300 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 3 5.801 -5.084 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.857 -3.117 -5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.285 -3.891 -5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.760 -4.776 -7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.755 -6.496 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.243 -5.706 -7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.420 -2.153 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.221 -3.750 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.818 -2.964 -3.326 1.00 0.00 H new ATOM 50 N ILE A 4 4.047 -8.749 -4.655 1.00 0.00 N ATOM 51 CA ILE A 4 4.538 -10.112 -4.480 1.00 0.00 C ATOM 52 C ILE A 4 5.546 -10.466 -5.589 1.00 0.00 C ATOM 53 O ILE A 4 5.409 -10.030 -6.738 1.00 0.00 O ATOM 54 CB ILE A 4 3.313 -11.053 -4.462 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.322 -12.168 -3.412 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.060 -11.714 -5.803 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.561 -13.065 -3.355 1.00 0.00 C ATOM 0 H ILE A 4 3.053 -8.708 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 4 5.077 -10.220 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 4 2.518 -10.355 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.191 -11.710 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.453 -12.803 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.188 -12.363 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.880 -10.948 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.930 -12.306 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.435 -13.810 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.691 -13.567 -4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.440 -12.458 -3.142 1.00 0.00 H new ATOM 69 N LYS A 5 6.539 -11.305 -5.267 1.00 0.00 N ATOM 70 CA LYS A 5 7.630 -11.691 -6.187 1.00 0.00 C ATOM 71 C LYS A 5 8.074 -13.150 -6.024 1.00 0.00 C ATOM 72 O LYS A 5 7.919 -13.720 -4.939 1.00 0.00 O ATOM 73 CB LYS A 5 8.797 -10.740 -5.960 1.00 0.00 C ATOM 74 CG LYS A 5 8.397 -9.346 -6.437 1.00 0.00 C ATOM 75 CD LYS A 5 9.580 -8.480 -6.820 1.00 0.00 C ATOM 76 CE LYS A 5 8.998 -7.085 -6.988 1.00 0.00 C ATOM 77 NZ LYS A 5 10.028 -6.055 -7.268 1.00 0.00 N ATOM 0 H LYS A 5 6.613 -11.744 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 5 7.260 -11.615 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.063 -10.715 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.677 -11.086 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.732 -9.440 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.832 -8.848 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.350 -8.498 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.044 -8.829 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.273 -7.096 -7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.457 -6.812 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.597 -5.266 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.420 -5.704 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.790 -6.473 -7.839 1.00 0.00 H new ATOM 91 N PRO A 6 8.598 -13.758 -7.097 1.00 0.00 N ATOM 92 CA PRO A 6 8.948 -15.172 -7.103 1.00 0.00 C ATOM 93 C PRO A 6 10.284 -15.462 -6.402 1.00 0.00 C ATOM 94 O PRO A 6 11.220 -14.666 -6.459 1.00 0.00 O ATOM 95 CB PRO A 6 8.984 -15.524 -8.589 1.00 0.00 C ATOM 96 CG PRO A 6 9.384 -14.237 -9.306 1.00 0.00 C ATOM 97 CD PRO A 6 8.799 -13.153 -8.415 1.00 0.00 C ATOM 0 HA PRO A 6 8.234 -15.775 -6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.701 -16.321 -8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.012 -15.878 -8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.466 -14.145 -9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.975 -14.194 -10.316 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.473 -12.299 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.856 -12.785 -8.820 1.00 0.00 H new ATOM 105 N GLN A 7 10.402 -16.628 -5.762 1.00 0.00 N ATOM 106 CA GLN A 7 11.635 -17.054 -5.074 1.00 0.00 C ATOM 107 C GLN A 7 12.749 -17.571 -6.017 1.00 0.00 C ATOM 108 O GLN A 7 13.872 -17.822 -5.570 1.00 0.00 O ATOM 109 CB GLN A 7 11.288 -18.058 -3.959 1.00 0.00 C ATOM 110 CG GLN A 7 10.668 -19.381 -4.437 1.00 0.00 C ATOM 111 CD GLN A 7 10.435 -20.361 -3.278 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.267 -20.558 -2.400 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.288 -21.009 -3.215 1.00 0.00 N ATOM 0 H GLN A 7 9.645 -17.309 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 7 12.072 -16.163 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.196 -18.282 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.596 -17.581 -3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.720 -19.178 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.324 -19.842 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.579 -20.862 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.110 -21.657 -2.448 1.00 0.00 H new ATOM 122 N VAL A 8 12.454 -17.705 -7.314 1.00 0.00 N ATOM 123 CA VAL A 8 13.360 -18.123 -8.406 1.00 0.00 C ATOM 124 C VAL A 8 13.056 -17.333 -9.691 1.00 0.00 C ATOM 125 O VAL A 8 12.107 -16.553 -9.739 1.00 0.00 O ATOM 126 CB VAL A 8 13.274 -19.647 -8.683 1.00 0.00 C ATOM 127 CG1 VAL A 8 13.777 -20.492 -7.505 1.00 0.00 C ATOM 128 CG2 VAL A 8 11.861 -20.115 -9.054 1.00 0.00 C ATOM 0 H VAL A 8 11.514 -17.513 -7.660 1.00 0.00 H new ATOM 0 HA VAL A 8 14.377 -17.904 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 8 13.929 -19.801 -9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.694 -21.550 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.820 -20.248 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.175 -20.279 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.870 -21.190 -9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.177 -19.890 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.531 -19.598 -9.955 1.00 0.00 H new ATOM 138 N SER A 9 13.834 -17.552 -10.754 1.00 0.00 N ATOM 139 CA SER A 9 13.551 -17.041 -12.109 1.00 0.00 C ATOM 140 C SER A 9 13.137 -18.187 -13.063 1.00 0.00 C ATOM 141 O SER A 9 13.348 -19.369 -12.771 1.00 0.00 O ATOM 142 CB SER A 9 14.770 -16.284 -12.654 1.00 0.00 C ATOM 143 OG SER A 9 15.902 -17.139 -12.754 1.00 0.00 O ATOM 0 H SER A 9 14.694 -18.098 -10.702 1.00 0.00 H new ATOM 0 HA SER A 9 12.712 -16.348 -12.047 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.536 -15.870 -13.635 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.002 -15.443 -12.000 1.00 0.00 H new ATOM 0 HG SER A 9 16.664 -16.633 -13.105 1.00 0.00 H new ATOM 149 N GLY A 10 12.513 -17.847 -14.191 1.00 0.00 N ATOM 150 CA GLY A 10 11.851 -18.777 -15.108 1.00 0.00 C ATOM 151 C GLY A 10 10.606 -18.148 -15.612 1.00 0.00 C ATOM 152 O GLY A 10 10.564 -16.981 -16.000 1.00 0.00 O ATOM 0 H GLY A 10 12.452 -16.878 -14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.513 -19.023 -15.939 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.621 -19.712 -14.596 1.00 0.00 H new ATOM 156 N VAL A 11 9.578 -18.966 -15.648 1.00 0.00 N ATOM 157 CA VAL A 11 8.391 -18.601 -16.347 1.00 0.00 C ATOM 158 C VAL A 11 7.168 -19.149 -15.630 1.00 0.00 C ATOM 159 O VAL A 11 7.202 -20.272 -15.135 1.00 0.00 O ATOM 160 CB VAL A 11 8.555 -19.195 -17.752 1.00 0.00 C ATOM 161 CG1 VAL A 11 7.242 -19.134 -18.420 1.00 0.00 C ATOM 162 CG2 VAL A 11 9.374 -18.339 -18.704 1.00 0.00 C ATOM 0 H VAL A 11 9.551 -19.882 -15.200 1.00 0.00 H new ATOM 0 HA VAL A 11 8.246 -17.522 -16.397 1.00 0.00 H new ATOM 0 HB VAL A 11 9.007 -20.173 -17.591 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.325 -19.550 -19.424 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.515 -19.710 -17.847 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.914 -18.097 -18.483 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.439 -18.834 -19.673 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.894 -17.368 -18.824 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.376 -18.201 -18.299 1.00 0.00 H new ATOM 172 N ILE A 12 6.082 -18.376 -15.633 1.00 0.00 N ATOM 173 CA ILE A 12 4.803 -18.806 -15.044 1.00 0.00 C ATOM 174 C ILE A 12 4.220 -20.060 -15.742 1.00 0.00 C ATOM 175 O ILE A 12 4.276 -20.176 -16.965 1.00 0.00 O ATOM 176 CB ILE A 12 3.806 -17.641 -15.130 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.341 -16.300 -14.583 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.443 -17.946 -14.496 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.688 -16.312 -13.090 1.00 0.00 C ATOM 0 H ILE A 12 6.058 -17.441 -16.039 1.00 0.00 H new ATOM 0 HA ILE A 12 4.983 -19.082 -14.005 1.00 0.00 H new ATOM 0 HB ILE A 12 3.666 -17.525 -16.205 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.231 -16.022 -15.147 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.595 -15.526 -14.763 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.793 -17.077 -14.595 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.989 -18.798 -15.002 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.577 -18.180 -13.440 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.055 -15.329 -12.794 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.797 -16.556 -12.511 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.459 -17.059 -12.902 1.00 0.00 H new ATOM 191 N VAL A 13 3.585 -20.946 -14.967 1.00 0.00 N ATOM 192 CA VAL A 13 3.006 -22.247 -15.394 1.00 0.00 C ATOM 193 C VAL A 13 1.556 -22.423 -14.938 1.00 0.00 C ATOM 194 O VAL A 13 0.752 -23.009 -15.663 1.00 0.00 O ATOM 195 CB VAL A 13 3.822 -23.429 -14.822 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.347 -24.802 -15.318 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.303 -23.318 -15.174 1.00 0.00 C ATOM 0 H VAL A 13 3.448 -20.776 -13.971 1.00 0.00 H new ATOM 0 HA VAL A 13 3.041 -22.242 -16.483 1.00 0.00 H new ATOM 0 HB VAL A 13 3.667 -23.362 -13.745 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.966 -25.583 -14.875 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.308 -24.954 -15.027 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.430 -24.845 -16.404 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.842 -24.167 -14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.420 -23.314 -16.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.706 -22.393 -14.762 1.00 0.00 H new ATOM 207 N ASN A 14 1.183 -21.869 -13.779 1.00 0.00 N ATOM 208 CA ASN A 14 -0.191 -21.860 -13.272 1.00 0.00 C ATOM 209 C ASN A 14 -0.449 -20.615 -12.422 1.00 0.00 C ATOM 210 O ASN A 14 0.487 -20.019 -11.873 1.00 0.00 O ATOM 211 CB ASN A 14 -0.459 -23.144 -12.456 1.00 0.00 C ATOM 212 CG ASN A 14 -1.922 -23.541 -12.351 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.826 -22.867 -12.824 1.00 0.00 O ATOM 214 ND2 ASN A 14 -2.207 -24.644 -11.705 1.00 0.00 N ATOM 0 H ASN A 14 1.843 -21.405 -13.155 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.876 -21.833 -14.120 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.094 -23.967 -12.909 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.061 -23.008 -11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.178 -24.936 -11.599 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.458 -25.211 -11.308 1.00 0.00 H new ATOM 221 N LYS A 15 -1.735 -20.277 -12.282 1.00 0.00 N ATOM 222 CA LYS A 15 -2.286 -19.156 -11.532 1.00 0.00 C ATOM 223 C LYS A 15 -3.304 -19.716 -10.541 1.00 0.00 C ATOM 224 O LYS A 15 -4.476 -19.937 -10.864 1.00 0.00 O ATOM 225 CB LYS A 15 -2.943 -18.155 -12.506 1.00 0.00 C ATOM 226 CG LYS A 15 -1.950 -17.535 -13.503 1.00 0.00 C ATOM 227 CD LYS A 15 -1.285 -16.254 -13.007 1.00 0.00 C ATOM 228 CE LYS A 15 -2.241 -15.058 -12.973 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.702 -14.621 -14.315 1.00 0.00 N ATOM 0 H LYS A 15 -2.470 -20.826 -12.727 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.505 -18.623 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.733 -18.662 -13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.416 -17.358 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.176 -18.268 -13.732 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.473 -17.322 -14.435 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.886 -16.422 -12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.439 -16.017 -13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.109 -15.316 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.745 -14.222 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.409 -13.865 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.892 -14.264 -14.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.128 -15.427 -14.815 1.00 0.00 H new ATOM 243 N LEU A 16 -2.832 -19.983 -9.330 1.00 0.00 N ATOM 244 CA LEU A 16 -3.633 -20.562 -8.255 1.00 0.00 C ATOM 245 C LEU A 16 -4.679 -19.572 -7.752 1.00 0.00 C ATOM 246 O LEU A 16 -5.873 -19.881 -7.662 1.00 0.00 O ATOM 247 CB LEU A 16 -2.717 -20.970 -7.109 1.00 0.00 C ATOM 248 CG LEU A 16 -1.907 -22.251 -7.352 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.632 -23.369 -8.101 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.601 -21.991 -8.094 1.00 0.00 C ATOM 0 H LEU A 16 -1.865 -19.801 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.155 -21.436 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.024 -20.153 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.320 -21.104 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.726 -22.592 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.964 -24.223 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.515 -23.671 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.935 -23.011 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.071 -22.932 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.817 -21.544 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.019 -21.310 -7.511 1.00 0.00 H new ATOM 262 N PHE A 17 -4.205 -18.360 -7.476 1.00 0.00 N ATOM 263 CA PHE A 17 -5.029 -17.215 -7.100 1.00 0.00 C ATOM 264 C PHE A 17 -5.846 -16.674 -8.290 1.00 0.00 C ATOM 265 O PHE A 17 -5.763 -17.169 -9.417 1.00 0.00 O ATOM 266 CB PHE A 17 -4.141 -16.142 -6.447 1.00 0.00 C ATOM 267 CG PHE A 17 -3.657 -15.036 -7.369 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.648 -15.273 -8.323 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.285 -13.778 -7.334 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.324 -14.278 -9.256 1.00 0.00 C ATOM 271 CE2 PHE A 17 -3.917 -12.764 -8.228 1.00 0.00 C ATOM 272 CZ PHE A 17 -2.923 -13.010 -9.183 1.00 0.00 C ATOM 0 H PHE A 17 -3.209 -18.141 -7.509 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.770 -17.535 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.696 -15.688 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.271 -16.633 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.126 -16.218 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.062 -13.591 -6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.608 -14.488 -10.037 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.397 -11.798 -8.181 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.618 -12.227 -9.861 1.00 0.00 H new ATOM 282 N LYS A 18 -6.623 -15.619 -8.027 1.00 0.00 N ATOM 283 CA LYS A 18 -7.446 -14.902 -9.017 1.00 0.00 C ATOM 284 C LYS A 18 -7.354 -13.389 -8.826 1.00 0.00 C ATOM 285 O LYS A 18 -7.424 -12.892 -7.701 1.00 0.00 O ATOM 286 CB LYS A 18 -8.906 -15.335 -8.894 1.00 0.00 C ATOM 287 CG LYS A 18 -9.145 -16.827 -9.074 1.00 0.00 C ATOM 288 CD LYS A 18 -8.907 -17.317 -10.512 1.00 0.00 C ATOM 289 CE LYS A 18 -8.812 -18.848 -10.633 1.00 0.00 C ATOM 290 NZ LYS A 18 -7.527 -19.375 -10.101 1.00 0.00 N ATOM 0 H LYS A 18 -6.702 -15.224 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.066 -15.151 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.278 -15.037 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.495 -14.795 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.489 -17.376 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.169 -17.060 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.718 -16.960 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.986 -16.873 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.641 -19.306 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.915 -19.135 -11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.063 -19.957 -10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.906 -18.581 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.712 -19.956 -9.259 1.00 0.00 H new ATOM 304 N ALA A 19 -7.249 -12.663 -9.935 1.00 0.00 N ATOM 305 CA ALA A 19 -7.220 -11.205 -9.991 1.00 0.00 C ATOM 306 C ALA A 19 -8.470 -10.570 -9.337 1.00 0.00 C ATOM 307 O ALA A 19 -9.558 -10.570 -9.920 1.00 0.00 O ATOM 308 CB ALA A 19 -7.028 -10.800 -11.460 1.00 0.00 C ATOM 0 H ALA A 19 -7.179 -13.092 -10.858 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.387 -10.820 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.002 -9.713 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.090 -11.213 -11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.856 -11.186 -12.055 1.00 0.00 H new ATOM 314 N GLY A 20 -8.300 -10.053 -8.116 1.00 0.00 N ATOM 315 CA GLY A 20 -9.332 -9.381 -7.319 1.00 0.00 C ATOM 316 C GLY A 20 -9.913 -10.207 -6.158 1.00 0.00 C ATOM 317 O GLY A 20 -10.708 -9.671 -5.383 1.00 0.00 O ATOM 0 H GLY A 20 -7.401 -10.093 -7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.911 -8.461 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.148 -9.093 -7.981 1.00 0.00 H new ATOM 321 N ASP A 21 -9.579 -11.495 -6.035 1.00 0.00 N ATOM 322 CA ASP A 21 -10.108 -12.390 -4.995 1.00 0.00 C ATOM 323 C ASP A 21 -9.412 -12.233 -3.614 1.00 0.00 C ATOM 324 O ASP A 21 -8.954 -11.145 -3.244 1.00 0.00 O ATOM 325 CB ASP A 21 -10.046 -13.814 -5.568 1.00 0.00 C ATOM 326 CG ASP A 21 -11.112 -14.730 -4.949 1.00 0.00 C ATOM 327 OD1 ASP A 21 -12.287 -14.667 -5.384 1.00 0.00 O ATOM 328 OD2 ASP A 21 -10.781 -15.496 -4.017 1.00 0.00 O ATOM 0 H ASP A 21 -8.922 -11.955 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.139 -12.126 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.184 -13.776 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.057 -14.235 -5.387 1.00 0.00 H new ATOM 333 N LYS A 22 -9.355 -13.317 -2.827 1.00 0.00 N ATOM 334 CA LYS A 22 -8.796 -13.393 -1.463 1.00 0.00 C ATOM 335 C LYS A 22 -7.701 -14.464 -1.367 1.00 0.00 C ATOM 336 O LYS A 22 -7.605 -15.360 -2.209 1.00 0.00 O ATOM 337 CB LYS A 22 -9.934 -13.703 -0.457 1.00 0.00 C ATOM 338 CG LYS A 22 -10.999 -12.601 -0.323 1.00 0.00 C ATOM 339 CD LYS A 22 -10.504 -11.417 0.518 1.00 0.00 C ATOM 340 CE LYS A 22 -11.585 -10.333 0.672 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.683 -9.480 -0.542 1.00 0.00 N ATOM 0 H LYS A 22 -9.718 -14.217 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.342 -12.432 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.425 -14.628 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.493 -13.883 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.281 -12.248 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.896 -13.019 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.203 -11.772 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.619 -10.984 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.549 -10.804 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.356 -9.711 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.517 -8.863 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.827 -8.896 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.774 -10.084 -1.384 1.00 0.00 H new ATOM 355 N VAL A 23 -6.898 -14.380 -0.308 1.00 0.00 N ATOM 356 CA VAL A 23 -5.802 -15.310 0.028 1.00 0.00 C ATOM 357 C VAL A 23 -5.797 -15.625 1.527 1.00 0.00 C ATOM 358 O VAL A 23 -6.045 -14.733 2.343 1.00 0.00 O ATOM 359 CB VAL A 23 -4.427 -14.757 -0.400 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.309 -14.682 -1.928 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.098 -13.364 0.156 1.00 0.00 C ATOM 0 H VAL A 23 -6.992 -13.629 0.376 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.981 -16.230 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.715 -15.466 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.329 -14.289 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.429 -15.679 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.085 -14.025 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.114 -13.055 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.847 -12.649 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.100 -13.397 1.245 1.00 0.00 H new ATOM 371 N LYS A 24 -5.519 -16.880 1.908 1.00 0.00 N ATOM 372 CA LYS A 24 -5.228 -17.328 3.262 1.00 0.00 C ATOM 373 C LYS A 24 -3.843 -16.809 3.709 1.00 0.00 C ATOM 374 O LYS A 24 -3.170 -16.134 2.930 1.00 0.00 O ATOM 375 CB LYS A 24 -5.396 -18.858 3.212 1.00 0.00 C ATOM 376 CG LYS A 24 -5.738 -19.432 4.576 1.00 0.00 C ATOM 377 CD LYS A 24 -7.066 -18.953 5.194 1.00 0.00 C ATOM 378 CE LYS A 24 -6.884 -18.325 6.568 1.00 0.00 C ATOM 379 NZ LYS A 24 -7.988 -17.397 6.921 1.00 0.00 N ATOM 0 H LYS A 24 -5.492 -17.647 1.236 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.895 -16.931 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.182 -19.114 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.476 -19.313 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.769 -20.518 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.930 -19.187 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.531 -18.228 4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.750 -19.798 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.822 -19.113 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.938 -17.785 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.121 -17.393 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.751 -16.437 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.866 -17.710 6.460 1.00 0.00 H new ATOM 393 N LYS A 25 -3.381 -17.126 4.929 1.00 0.00 N ATOM 394 CA LYS A 25 -2.113 -16.679 5.577 1.00 0.00 C ATOM 395 C LYS A 25 -0.808 -17.173 4.899 1.00 0.00 C ATOM 396 O LYS A 25 0.138 -17.566 5.584 1.00 0.00 O ATOM 397 CB LYS A 25 -2.100 -17.009 7.075 1.00 0.00 C ATOM 398 CG LYS A 25 -3.311 -16.518 7.883 1.00 0.00 C ATOM 399 CD LYS A 25 -3.212 -15.101 8.481 1.00 0.00 C ATOM 400 CE LYS A 25 -2.073 -14.975 9.500 1.00 0.00 C ATOM 401 NZ LYS A 25 -2.163 -13.711 10.287 1.00 0.00 N ATOM 0 H LYS A 25 -3.913 -17.745 5.541 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.113 -15.598 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.027 -18.091 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.198 -16.581 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.189 -16.555 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.484 -17.221 8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.059 -14.380 7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.156 -14.846 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.099 -15.827 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.116 -15.011 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.374 -13.666 10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.113 -12.896 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.065 -13.688 10.805 1.00 0.00 H new ATOM 415 N GLY A 26 -0.759 -17.209 3.570 1.00 0.00 N ATOM 416 CA GLY A 26 0.330 -17.803 2.786 1.00 0.00 C ATOM 417 C GLY A 26 -0.093 -18.883 1.802 1.00 0.00 C ATOM 418 O GLY A 26 0.698 -19.786 1.527 1.00 0.00 O ATOM 0 H GLY A 26 -1.497 -16.814 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.834 -17.009 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.062 -18.227 3.474 1.00 0.00 H new ATOM 422 N GLN A 27 -1.336 -18.857 1.311 1.00 0.00 N ATOM 423 CA GLN A 27 -1.746 -19.732 0.208 1.00 0.00 C ATOM 424 C GLN A 27 -0.834 -19.595 -1.027 1.00 0.00 C ATOM 425 O GLN A 27 -0.281 -18.522 -1.290 1.00 0.00 O ATOM 426 CB GLN A 27 -3.245 -19.608 -0.078 1.00 0.00 C ATOM 427 CG GLN A 27 -3.535 -18.630 -1.179 1.00 0.00 C ATOM 428 CD GLN A 27 -5.027 -18.503 -1.441 1.00 0.00 C ATOM 429 OE1 GLN A 27 -5.864 -18.568 -0.547 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.409 -18.334 -2.682 1.00 0.00 N ATOM 0 H GLN A 27 -2.073 -18.243 1.658 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.601 -20.765 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.643 -20.586 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.761 -19.294 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.128 -17.654 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.031 -18.950 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.714 -18.280 -3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.402 -18.257 -2.904 1.00 0.00 H new ATOM 439 N THR A 28 -0.708 -20.666 -1.802 1.00 0.00 N ATOM 440 CA THR A 28 0.026 -20.678 -3.071 1.00 0.00 C ATOM 441 C THR A 28 -0.712 -19.854 -4.134 1.00 0.00 C ATOM 442 O THR A 28 -1.939 -19.902 -4.236 1.00 0.00 O ATOM 443 CB THR A 28 0.253 -22.125 -3.539 1.00 0.00 C ATOM 444 OG1 THR A 28 0.853 -22.862 -2.491 1.00 0.00 O ATOM 445 CG2 THR A 28 1.202 -22.210 -4.735 1.00 0.00 C ATOM 0 H THR A 28 -1.119 -21.569 -1.566 1.00 0.00 H new ATOM 0 HA THR A 28 1.001 -20.215 -2.917 1.00 0.00 H new ATOM 0 HB THR A 28 -0.722 -22.521 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.999 -23.786 -2.783 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.328 -23.253 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.785 -21.648 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.170 -21.790 -4.462 1.00 0.00 H new ATOM 453 N LEU A 29 0.049 -19.098 -4.927 1.00 0.00 N ATOM 454 CA LEU A 29 -0.400 -18.063 -5.861 1.00 0.00 C ATOM 455 C LEU A 29 0.010 -18.366 -7.309 1.00 0.00 C ATOM 456 O LEU A 29 -0.816 -18.264 -8.220 1.00 0.00 O ATOM 457 CB LEU A 29 0.200 -16.730 -5.432 1.00 0.00 C ATOM 458 CG LEU A 29 -0.124 -16.268 -4.007 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.286 -14.812 -3.944 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.583 -16.364 -3.580 1.00 0.00 C ATOM 0 H LEU A 29 1.064 -19.199 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.489 -18.030 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.283 -16.794 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.140 -15.962 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 29 0.407 -16.935 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.080 -14.419 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.352 -14.725 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.278 -14.243 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.686 -16.009 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.196 -15.750 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.912 -17.401 -3.640 1.00 0.00 H new ATOM 472 N PHE A 30 1.251 -18.819 -7.513 1.00 0.00 N ATOM 473 CA PHE A 30 1.797 -19.166 -8.835 1.00 0.00 C ATOM 474 C PHE A 30 2.653 -20.428 -8.798 1.00 0.00 C ATOM 475 O PHE A 30 3.107 -20.873 -7.740 1.00 0.00 O ATOM 476 CB PHE A 30 2.627 -18.011 -9.445 1.00 0.00 C ATOM 477 CG PHE A 30 2.041 -16.617 -9.351 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.120 -15.868 -8.156 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.444 -16.051 -10.488 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.505 -14.604 -8.054 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.865 -14.782 -10.406 1.00 0.00 C ATOM 482 CZ PHE A 30 0.839 -14.091 -9.189 1.00 0.00 C ATOM 0 H PHE A 30 1.918 -18.958 -6.754 1.00 0.00 H new ATOM 0 HA PHE A 30 0.928 -19.351 -9.467 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.602 -18.002 -8.959 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.798 -18.236 -10.498 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.658 -16.269 -7.310 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.432 -16.594 -11.422 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.542 -14.042 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.434 -14.331 -11.288 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.304 -13.156 -9.117 1.00 0.00 H new ATOM 492 N ILE A 31 2.914 -20.951 -9.994 1.00 0.00 N ATOM 493 CA ILE A 31 3.865 -22.037 -10.265 1.00 0.00 C ATOM 494 C ILE A 31 4.818 -21.520 -11.330 1.00 0.00 C ATOM 495 O ILE A 31 4.368 -20.943 -12.316 1.00 0.00 O ATOM 496 CB ILE A 31 3.145 -23.311 -10.736 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.156 -23.734 -9.640 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.137 -24.449 -11.070 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.343 -24.985 -9.939 1.00 0.00 C ATOM 0 H ILE A 31 2.451 -20.618 -10.840 1.00 0.00 H new ATOM 0 HA ILE A 31 4.404 -22.313 -9.359 1.00 0.00 H new ATOM 0 HB ILE A 31 2.609 -23.101 -11.661 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.711 -23.895 -8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.467 -22.909 -9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.584 -25.329 -11.398 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.808 -24.125 -11.865 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.719 -24.697 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.677 -25.195 -9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.753 -24.828 -10.842 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.016 -25.829 -10.088 1.00 0.00 H new ATOM 511 N ILE A 32 6.115 -21.747 -11.150 1.00 0.00 N ATOM 512 CA ILE A 32 7.168 -21.431 -12.114 1.00 0.00 C ATOM 513 C ILE A 32 7.850 -22.688 -12.589 1.00 0.00 C ATOM 514 O ILE A 32 8.021 -23.637 -11.837 1.00 0.00 O ATOM 515 CB ILE A 32 8.187 -20.450 -11.493 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.536 -19.061 -11.527 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.563 -20.405 -12.195 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.382 -18.011 -10.820 1.00 0.00 C ATOM 0 H ILE A 32 6.477 -22.172 -10.297 1.00 0.00 H new ATOM 0 HA ILE A 32 6.713 -20.949 -12.980 1.00 0.00 H new ATOM 0 HB ILE A 32 8.410 -20.794 -10.483 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.379 -18.761 -12.563 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.554 -19.110 -11.057 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.208 -19.688 -11.686 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.021 -21.393 -12.161 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.432 -20.102 -13.234 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.880 -17.045 -10.871 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.518 -18.295 -9.776 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.355 -17.940 -11.306 1.00 0.00 H new ATOM 530 N GLU A 33 8.265 -22.635 -13.843 1.00 0.00 N ATOM 531 CA GLU A 33 9.164 -23.561 -14.509 1.00 0.00 C ATOM 532 C GLU A 33 10.547 -22.890 -14.535 1.00 0.00 C ATOM 533 O GLU A 33 10.699 -21.823 -15.133 1.00 0.00 O ATOM 534 CB GLU A 33 8.602 -23.760 -15.933 1.00 0.00 C ATOM 535 CG GLU A 33 9.589 -24.333 -16.948 1.00 0.00 C ATOM 536 CD GLU A 33 8.917 -24.500 -18.324 1.00 0.00 C ATOM 537 OE1 GLU A 33 8.784 -23.504 -19.075 1.00 0.00 O ATOM 538 OE2 GLU A 33 8.514 -25.625 -18.696 1.00 0.00 O ATOM 0 H GLU A 33 7.960 -21.889 -14.468 1.00 0.00 H new ATOM 0 HA GLU A 33 9.250 -24.530 -14.016 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.738 -24.423 -15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.243 -22.799 -16.302 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.452 -23.673 -17.037 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.959 -25.297 -16.599 1.00 0.00 H new ATOM 545 N GLN A 34 11.547 -23.482 -13.871 1.00 0.00 N ATOM 546 CA GLN A 34 12.902 -22.918 -13.765 1.00 0.00 C ATOM 547 C GLN A 34 13.621 -22.791 -15.105 1.00 0.00 C ATOM 548 O GLN A 34 14.350 -21.832 -15.357 1.00 0.00 O ATOM 549 CB GLN A 34 13.744 -23.736 -12.774 1.00 0.00 C ATOM 550 CG GLN A 34 13.291 -23.564 -11.313 1.00 0.00 C ATOM 551 CD GLN A 34 14.209 -24.279 -10.317 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.242 -24.848 -10.647 1.00 0.00 O ATOM 553 NE2 GLN A 34 13.881 -24.277 -9.045 1.00 0.00 N ATOM 0 H GLN A 34 11.440 -24.374 -13.387 1.00 0.00 H new ATOM 0 HA GLN A 34 12.782 -21.901 -13.392 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.689 -24.791 -13.044 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.789 -23.438 -12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.258 -22.502 -11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.277 -23.948 -11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.027 -23.811 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.481 -24.741 -8.363 1.00 0.00 H new ATOM 1048 N HIS A 67 9.952 -27.383 -11.371 1.00 0.00 N ATOM 1049 CA HIS A 67 9.104 -26.308 -10.864 1.00 0.00 C ATOM 1050 C HIS A 67 9.443 -25.724 -9.497 1.00 0.00 C ATOM 1051 O HIS A 67 10.059 -26.380 -8.655 1.00 0.00 O ATOM 1052 CB HIS A 67 7.653 -26.805 -10.795 1.00 0.00 C ATOM 1053 CG HIS A 67 7.109 -27.396 -12.065 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.888 -28.753 -12.268 1.00 0.00 N ATOM 1055 CD2 HIS A 67 6.619 -26.690 -13.123 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.229 -28.834 -13.429 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.074 -27.619 -13.983 1.00 0.00 N ATOM 0 HA HIS A 67 9.274 -25.499 -11.574 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.581 -27.554 -10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.016 -25.971 -10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.651 -25.619 -13.260 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.869 -29.754 -13.864 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.632 -27.420 -14.880 1.00 0.00 H new ATOM 1065 N THR A 68 8.912 -24.518 -9.257 1.00 0.00 N ATOM 1066 CA THR A 68 8.881 -23.875 -7.930 1.00 0.00 C ATOM 1067 C THR A 68 7.559 -23.134 -7.715 1.00 0.00 C ATOM 1068 O THR A 68 7.151 -22.337 -8.558 1.00 0.00 O ATOM 1069 CB THR A 68 10.064 -22.906 -7.785 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.287 -23.561 -8.031 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.181 -22.327 -6.383 1.00 0.00 C ATOM 0 H THR A 68 8.484 -23.950 -9.988 1.00 0.00 H new ATOM 0 HA THR A 68 8.964 -24.652 -7.170 1.00 0.00 H new ATOM 0 HB THR A 68 9.870 -22.114 -8.508 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.903 -23.394 -7.287 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.034 -21.650 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.270 -21.780 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.323 -23.136 -5.666 1.00 0.00 H new ATOM 1079 N GLU A 69 6.875 -23.382 -6.595 1.00 0.00 N ATOM 1080 CA GLU A 69 5.688 -22.628 -6.156 1.00 0.00 C ATOM 1081 C GLU A 69 6.047 -21.232 -5.598 1.00 0.00 C ATOM 1082 O GLU A 69 7.145 -20.997 -5.083 1.00 0.00 O ATOM 1083 CB GLU A 69 4.849 -23.402 -5.103 1.00 0.00 C ATOM 1084 CG GLU A 69 5.608 -23.951 -3.882 1.00 0.00 C ATOM 1085 CD GLU A 69 6.307 -25.294 -4.175 1.00 0.00 C ATOM 1086 OE1 GLU A 69 5.683 -26.362 -3.981 1.00 0.00 O ATOM 1087 OE2 GLU A 69 7.491 -25.280 -4.592 1.00 0.00 O ATOM 0 H GLU A 69 7.134 -24.129 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 69 5.085 -22.498 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.060 -22.741 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.361 -24.238 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.351 -23.221 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.911 -24.081 -3.054 1.00 0.00 H new ATOM 1094 N ILE A 70 5.078 -20.313 -5.661 1.00 0.00 N ATOM 1095 CA ILE A 70 5.133 -18.960 -5.106 1.00 0.00 C ATOM 1096 C ILE A 70 3.885 -18.765 -4.250 1.00 0.00 C ATOM 1097 O ILE A 70 2.792 -19.117 -4.699 1.00 0.00 O ATOM 1098 CB ILE A 70 5.218 -17.870 -6.200 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.470 -18.047 -7.078 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.288 -16.476 -5.548 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.314 -19.052 -8.223 1.00 0.00 C ATOM 0 H ILE A 70 4.190 -20.504 -6.124 1.00 0.00 H new ATOM 0 HA ILE A 70 6.040 -18.856 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 70 4.327 -17.964 -6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.742 -17.079 -7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.299 -18.364 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.348 -15.714 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.395 -16.311 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.171 -16.416 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.246 -19.110 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.075 -20.034 -7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.510 -18.728 -8.884 1.00 0.00 H new ATOM 1113 N LYS A 71 4.019 -18.193 -3.050 1.00 0.00 N ATOM 1114 CA LYS A 71 2.955 -18.120 -2.039 1.00 0.00 C ATOM 1115 C LYS A 71 2.840 -16.737 -1.385 1.00 0.00 C ATOM 1116 O LYS A 71 3.809 -15.981 -1.341 1.00 0.00 O ATOM 1117 CB LYS A 71 3.173 -19.250 -1.015 1.00 0.00 C ATOM 1118 CG LYS A 71 4.453 -19.084 -0.174 1.00 0.00 C ATOM 1119 CD LYS A 71 4.777 -20.305 0.696 1.00 0.00 C ATOM 1120 CE LYS A 71 3.670 -20.599 1.720 1.00 0.00 C ATOM 1121 NZ LYS A 71 4.037 -21.726 2.614 1.00 0.00 N ATOM 0 H LYS A 71 4.889 -17.757 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 71 1.992 -18.264 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.313 -19.294 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.216 -20.203 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.293 -18.890 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.346 -18.209 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.919 -21.177 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.718 -20.136 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.480 -19.707 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.743 -20.836 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.267 -21.896 3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.194 -22.583 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.908 -21.489 3.131 1.00 0.00 H new ATOM 1135 N ALA A 72 1.644 -16.417 -0.884 1.00 0.00 N ATOM 1136 CA ALA A 72 1.339 -15.135 -0.242 1.00 0.00 C ATOM 1137 C ALA A 72 2.162 -14.889 1.048 1.00 0.00 C ATOM 1138 O ALA A 72 2.687 -15.831 1.649 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.175 -15.077 0.041 1.00 0.00 C ATOM 0 H ALA A 72 0.847 -17.052 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 72 1.626 -14.335 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.420 -14.129 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.724 -15.163 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.454 -15.899 0.701 1.00 0.00 H new ATOM 1145 N PRO A 73 2.226 -13.630 1.524 1.00 0.00 N ATOM 1146 CA PRO A 73 2.782 -13.304 2.840 1.00 0.00 C ATOM 1147 C PRO A 73 1.824 -13.568 4.017 1.00 0.00 C ATOM 1148 O PRO A 73 2.239 -14.032 5.078 1.00 0.00 O ATOM 1149 CB PRO A 73 3.037 -11.798 2.761 1.00 0.00 C ATOM 1150 CG PRO A 73 1.957 -11.295 1.802 1.00 0.00 C ATOM 1151 CD PRO A 73 1.948 -12.412 0.766 1.00 0.00 C ATOM 0 HA PRO A 73 3.657 -13.924 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.954 -11.326 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.037 -11.581 2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.991 -11.179 2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.210 -10.329 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.985 -12.473 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.702 -12.244 -0.003 1.00 0.00 H new ATOM 1159 N PHE A 74 0.543 -13.231 3.828 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.499 -13.130 4.860 1.00 0.00 C ATOM 1161 C PHE A 74 -1.924 -13.192 4.271 1.00 0.00 C ATOM 1162 O PHE A 74 -2.113 -13.123 3.058 1.00 0.00 O ATOM 1163 CB PHE A 74 -0.285 -11.807 5.632 1.00 0.00 C ATOM 1164 CG PHE A 74 -0.196 -10.536 4.774 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -1.319 -10.052 4.072 1.00 0.00 C ATOM 1166 CD2 PHE A 74 1.031 -9.851 4.625 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -1.201 -8.968 3.186 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.137 -8.729 3.783 1.00 0.00 C ATOM 1169 CZ PHE A 74 0.023 -8.297 3.048 1.00 0.00 C ATOM 0 H PHE A 74 0.184 -13.009 2.899 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.412 -13.985 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.104 -11.686 6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.632 -11.893 6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.281 -10.520 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.901 -10.194 5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.057 -8.650 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.075 -8.201 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.107 -7.453 2.380 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.933 -13.288 5.149 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.359 -13.281 4.770 1.00 0.00 C ATOM 1181 C ASP A 75 -4.840 -11.881 4.387 1.00 0.00 C ATOM 1182 O ASP A 75 -4.532 -10.894 5.063 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.200 -13.845 5.918 1.00 0.00 C ATOM 1184 CG ASP A 75 -6.697 -14.015 5.607 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -7.434 -13.004 5.565 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -7.150 -15.182 5.517 1.00 0.00 O ATOM 0 H ASP A 75 -2.783 -13.374 6.154 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.478 -13.912 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.792 -14.814 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.096 -13.187 6.781 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.595 -11.790 3.299 1.00 0.00 N ATOM 1192 CA GLY A 76 -6.034 -10.520 2.741 1.00 0.00 C ATOM 1193 C GLY A 76 -6.669 -10.648 1.363 1.00 0.00 C ATOM 1194 O GLY A 76 -7.109 -11.722 0.942 1.00 0.00 O ATOM 0 H GLY A 76 -5.922 -12.603 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.752 -10.062 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.180 -9.846 2.677 1.00 0.00 H new ATOM 1198 N THR A 77 -6.701 -9.522 0.665 1.00 0.00 N ATOM 1199 CA THR A 77 -7.150 -9.388 -0.719 1.00 0.00 C ATOM 1200 C THR A 77 -5.949 -9.314 -1.635 1.00 0.00 C ATOM 1201 O THR A 77 -4.833 -9.033 -1.206 1.00 0.00 O ATOM 1202 CB THR A 77 -8.029 -8.126 -0.839 1.00 0.00 C ATOM 1203 OG1 THR A 77 -9.154 -8.280 -0.011 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.591 -7.786 -2.221 1.00 0.00 C ATOM 0 H THR A 77 -6.401 -8.633 1.065 1.00 0.00 H new ATOM 0 HA THR A 77 -7.744 -10.254 -1.013 1.00 0.00 H new ATOM 0 HB THR A 77 -7.346 -7.320 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.720 -7.483 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.188 -6.876 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.769 -7.632 -2.920 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.217 -8.607 -2.571 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.172 -9.608 -2.907 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.112 -9.704 -3.897 1.00 0.00 C ATOM 1214 C ILE A 78 -5.528 -9.006 -5.189 1.00 0.00 C ATOM 1215 O ILE A 78 -6.662 -9.150 -5.659 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.707 -11.182 -4.023 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.444 -11.287 -4.880 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.843 -12.107 -4.498 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.646 -12.545 -4.592 1.00 0.00 C ATOM 0 H ILE A 78 -7.103 -9.788 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.211 -9.170 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.484 -11.553 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.722 -11.271 -5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.816 -10.414 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.476 -13.131 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.670 -12.061 -3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.188 -11.784 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.761 -12.568 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.341 -12.551 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.262 -13.421 -4.796 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.638 -8.156 -5.704 1.00 0.00 N ATOM 1232 CA GLY A 79 -4.943 -7.228 -6.796 1.00 0.00 C ATOM 1233 C GLY A 79 -5.035 -7.894 -8.165 1.00 0.00 C ATOM 1234 O GLY A 79 -5.030 -9.121 -8.291 1.00 0.00 O ATOM 0 H GLY A 79 -3.676 -8.091 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.888 -6.728 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.174 -6.456 -6.829 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.123 -7.084 -9.222 1.00 0.00 N ATOM 1239 CA ASP A 80 -4.969 -7.579 -10.584 1.00 0.00 C ATOM 1240 C ASP A 80 -3.581 -8.162 -10.809 1.00 0.00 C ATOM 1241 O ASP A 80 -2.555 -7.538 -10.522 1.00 0.00 O ATOM 1242 CB ASP A 80 -5.284 -6.523 -11.653 1.00 0.00 C ATOM 1243 CG ASP A 80 -4.628 -5.149 -11.430 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -4.874 -4.514 -10.373 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -3.876 -4.680 -12.318 1.00 0.00 O ATOM 0 H ASP A 80 -5.300 -6.082 -9.157 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.708 -8.372 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.967 -6.906 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.365 -6.388 -11.701 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.568 -9.373 -11.351 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.369 -10.078 -11.760 1.00 0.00 C ATOM 1252 C ALA A 81 -1.543 -9.243 -12.763 1.00 0.00 C ATOM 1253 O ALA A 81 -2.089 -8.580 -13.649 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.847 -11.373 -12.410 1.00 0.00 C ATOM 0 H ALA A 81 -4.421 -9.905 -11.522 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.718 -10.270 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.986 -11.953 -12.742 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.419 -11.954 -11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.478 -11.138 -13.267 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.216 -9.333 -12.665 1.00 0.00 N ATOM 1261 CA LEU A 82 0.742 -8.674 -13.557 1.00 0.00 C ATOM 1262 C LEU A 82 1.368 -9.639 -14.598 1.00 0.00 C ATOM 1263 O LEU A 82 2.107 -9.198 -15.478 1.00 0.00 O ATOM 1264 CB LEU A 82 1.829 -8.023 -12.691 1.00 0.00 C ATOM 1265 CG LEU A 82 1.449 -6.918 -11.707 1.00 0.00 C ATOM 1266 CD1 LEU A 82 2.657 -6.550 -10.833 1.00 0.00 C ATOM 1267 CD2 LEU A 82 1.055 -5.716 -12.520 1.00 0.00 C ATOM 0 H LEU A 82 0.238 -9.885 -11.938 1.00 0.00 H new ATOM 0 HA LEU A 82 0.210 -7.922 -14.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.310 -8.817 -12.120 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.582 -7.615 -13.365 1.00 0.00 H new ATOM 0 HG LEU A 82 0.637 -7.250 -11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.375 -5.761 -10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.984 -7.428 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.471 -6.199 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.775 -4.901 -11.852 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.896 -5.405 -13.140 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.208 -5.970 -13.158 1.00 0.00 H new ATOM 1279 N VAL A 83 1.066 -10.944 -14.503 1.00 0.00 N ATOM 1280 CA VAL A 83 1.730 -12.039 -15.242 1.00 0.00 C ATOM 1281 C VAL A 83 0.762 -13.154 -15.628 1.00 0.00 C ATOM 1282 O VAL A 83 -0.286 -13.344 -15.009 1.00 0.00 O ATOM 1283 CB VAL A 83 2.892 -12.636 -14.419 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.893 -11.559 -13.999 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.424 -13.356 -13.145 1.00 0.00 C ATOM 0 H VAL A 83 0.326 -11.282 -13.888 1.00 0.00 H new ATOM 0 HA VAL A 83 2.119 -11.596 -16.159 1.00 0.00 H new ATOM 0 HB VAL A 83 3.361 -13.361 -15.084 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.697 -12.015 -13.422 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.309 -11.083 -14.887 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.388 -10.811 -13.389 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.289 -13.752 -12.613 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.894 -12.652 -12.503 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.757 -14.175 -13.414 1.00 0.00 H new ATOM 1295 N ASN A 84 1.136 -13.931 -16.641 1.00 0.00 N ATOM 1296 CA ASN A 84 0.396 -15.041 -17.203 1.00 0.00 C ATOM 1297 C ASN A 84 1.363 -16.167 -17.573 1.00 0.00 C ATOM 1298 O ASN A 84 2.572 -15.983 -17.631 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.334 -14.585 -18.475 1.00 0.00 C ATOM 1300 CG ASN A 84 -0.966 -13.211 -18.431 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.134 -13.046 -18.096 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.223 -12.186 -18.774 1.00 0.00 N ATOM 0 H ASN A 84 2.026 -13.786 -17.118 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.326 -15.395 -16.467 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.375 -14.609 -19.303 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.113 -15.313 -18.701 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.616 -11.245 -18.763 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.748 -12.330 -19.052 1.00 0.00 H new ATOM 1309 N ILE A 85 0.803 -17.334 -17.867 1.00 0.00 N ATOM 1310 CA ILE A 85 1.511 -18.568 -18.215 1.00 0.00 C ATOM 1311 C ILE A 85 2.364 -18.338 -19.474 1.00 0.00 C ATOM 1312 O ILE A 85 1.814 -18.242 -20.577 1.00 0.00 O ATOM 1313 CB ILE A 85 0.452 -19.676 -18.406 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.265 -20.059 -17.085 1.00 0.00 C ATOM 1315 CG2 ILE A 85 1.077 -20.961 -18.972 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.095 -18.983 -16.374 1.00 0.00 C ATOM 0 H ILE A 85 -0.210 -17.455 -17.870 1.00 0.00 H new ATOM 0 HA ILE A 85 2.198 -18.875 -17.427 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.272 -19.256 -19.104 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.923 -20.902 -17.295 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.492 -20.412 -16.385 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.303 -21.719 -19.093 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.532 -20.749 -19.939 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.840 -21.328 -18.285 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.533 -19.401 -15.468 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.453 -18.142 -16.112 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.890 -18.640 -17.036 1.00 0.00 H new ATOM 1328 N GLY A 86 3.687 -18.191 -19.321 1.00 0.00 N ATOM 1329 CA GLY A 86 4.580 -17.875 -20.437 1.00 0.00 C ATOM 1330 C GLY A 86 5.255 -16.510 -20.293 1.00 0.00 C ATOM 1331 O GLY A 86 6.213 -16.237 -21.011 1.00 0.00 O ATOM 0 H GLY A 86 4.163 -18.288 -18.424 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.346 -18.647 -20.512 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.012 -17.897 -21.367 1.00 0.00 H new ATOM 1335 N ASP A 87 4.788 -15.658 -19.372 1.00 0.00 N ATOM 1336 CA ASP A 87 5.537 -14.459 -19.002 1.00 0.00 C ATOM 1337 C ASP A 87 6.841 -14.898 -18.335 1.00 0.00 C ATOM 1338 O ASP A 87 6.853 -15.682 -17.369 1.00 0.00 O ATOM 1339 CB ASP A 87 4.728 -13.524 -18.090 1.00 0.00 C ATOM 1340 CG ASP A 87 3.796 -12.615 -18.903 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.296 -11.772 -19.684 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.559 -12.718 -18.735 1.00 0.00 O ATOM 0 H ASP A 87 3.905 -15.777 -18.876 1.00 0.00 H new ATOM 0 HA ASP A 87 5.753 -13.881 -19.901 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.140 -14.117 -17.389 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.409 -12.913 -17.498 1.00 0.00 H new ATOM 1347 N TYR A 88 7.943 -14.401 -18.907 1.00 0.00 N ATOM 1348 CA TYR A 88 9.272 -14.611 -18.367 1.00 0.00 C ATOM 1349 C TYR A 88 9.433 -13.770 -17.109 1.00 0.00 C ATOM 1350 O TYR A 88 9.580 -12.548 -17.181 1.00 0.00 O ATOM 1351 CB TYR A 88 10.355 -14.301 -19.412 1.00 0.00 C ATOM 1352 CG TYR A 88 11.612 -15.055 -19.045 1.00 0.00 C ATOM 1353 CD1 TYR A 88 11.760 -16.361 -19.537 1.00 0.00 C ATOM 1354 CD2 TYR A 88 12.475 -14.564 -18.047 1.00 0.00 C ATOM 1355 CE1 TYR A 88 12.685 -17.232 -18.940 1.00 0.00 C ATOM 1356 CE2 TYR A 88 13.451 -15.412 -17.497 1.00 0.00 C ATOM 1357 CZ TYR A 88 13.548 -16.758 -17.928 1.00 0.00 C ATOM 1358 OH TYR A 88 14.435 -17.612 -17.345 1.00 0.00 O ATOM 0 H TYR A 88 7.928 -13.841 -19.760 1.00 0.00 H new ATOM 0 HA TYR A 88 9.396 -15.661 -18.103 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.016 -14.593 -20.406 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.553 -13.230 -19.445 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.164 -16.695 -20.373 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.387 -13.543 -17.707 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.736 -18.264 -19.255 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.129 -15.037 -16.744 1.00 0.00 H new ATOM 0 HH TYR A 88 14.956 -17.131 -16.669 1.00 0.00 H new ATOM 1368 N VAL A 89 9.422 -14.447 -15.965 1.00 0.00 N ATOM 1369 CA VAL A 89 9.641 -13.782 -14.659 1.00 0.00 C ATOM 1370 C VAL A 89 11.001 -14.047 -14.004 1.00 0.00 C ATOM 1371 O VAL A 89 11.656 -15.067 -14.214 1.00 0.00 O ATOM 1372 CB VAL A 89 8.500 -13.996 -13.656 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.155 -13.603 -14.260 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.422 -15.440 -13.145 1.00 0.00 C ATOM 0 H VAL A 89 9.265 -15.453 -15.902 1.00 0.00 H new ATOM 0 HA VAL A 89 9.647 -12.728 -14.936 1.00 0.00 H new ATOM 0 HB VAL A 89 8.724 -13.351 -12.807 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.365 -13.765 -13.526 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.177 -12.551 -14.543 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.961 -14.212 -15.143 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.597 -15.532 -12.439 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.258 -16.115 -13.985 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.356 -15.701 -12.647 1.00 0.00 H new ATOM 1384 N SER A 90 11.422 -13.106 -13.160 1.00 0.00 N ATOM 1385 CA SER A 90 12.711 -13.123 -12.467 1.00 0.00 C ATOM 1386 C SER A 90 12.558 -12.630 -11.020 1.00 0.00 C ATOM 1387 O SER A 90 11.677 -11.819 -10.713 1.00 0.00 O ATOM 1388 CB SER A 90 13.712 -12.364 -13.339 1.00 0.00 C ATOM 1389 OG SER A 90 14.850 -11.958 -12.601 1.00 0.00 O ATOM 0 H SER A 90 10.859 -12.286 -12.932 1.00 0.00 H new ATOM 0 HA SER A 90 13.107 -14.131 -12.343 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.024 -12.997 -14.169 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.227 -11.488 -13.771 1.00 0.00 H new ATOM 0 HG SER A 90 15.468 -11.478 -13.191 1.00 0.00 H new ATOM 1395 N ALA A 91 13.405 -13.154 -10.125 1.00 0.00 N ATOM 1396 CA ALA A 91 13.238 -13.125 -8.663 1.00 0.00 C ATOM 1397 C ALA A 91 12.962 -11.821 -7.924 1.00 0.00 C ATOM 1398 O ALA A 91 12.362 -11.848 -6.849 1.00 0.00 O ATOM 1399 CB ALA A 91 14.343 -13.972 -8.011 1.00 0.00 C ATOM 0 H ALA A 91 14.261 -13.630 -10.410 1.00 0.00 H new ATOM 0 HA ALA A 91 12.246 -13.559 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.224 -13.954 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.271 -15.000 -8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.318 -13.564 -8.276 1.00 0.00 H new ATOM 1405 N SER A 92 13.351 -10.685 -8.472 1.00 0.00 N ATOM 1406 CA SER A 92 12.850 -9.392 -7.988 1.00 0.00 C ATOM 1407 C SER A 92 12.478 -8.426 -9.122 1.00 0.00 C ATOM 1408 O SER A 92 12.067 -7.284 -8.888 1.00 0.00 O ATOM 1409 CB SER A 92 13.838 -8.759 -6.998 1.00 0.00 C ATOM 1410 OG SER A 92 15.092 -8.516 -7.617 1.00 0.00 O ATOM 0 H SER A 92 14.009 -10.621 -9.249 1.00 0.00 H new ATOM 0 HA SER A 92 11.919 -9.594 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.428 -7.823 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.973 -9.419 -6.141 1.00 0.00 H new ATOM 0 HG SER A 92 15.704 -8.111 -6.968 1.00 0.00 H new ATOM 1416 N THR A 93 12.601 -8.899 -10.362 1.00 0.00 N ATOM 1417 CA THR A 93 12.630 -8.072 -11.581 1.00 0.00 C ATOM 1418 C THR A 93 11.317 -7.893 -12.349 1.00 0.00 C ATOM 1419 O THR A 93 11.244 -7.005 -13.195 1.00 0.00 O ATOM 1420 CB THR A 93 13.684 -8.670 -12.545 1.00 0.00 C ATOM 1421 OG1 THR A 93 14.838 -9.100 -11.838 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.200 -7.722 -13.628 1.00 0.00 C ATOM 0 H THR A 93 12.686 -9.896 -10.558 1.00 0.00 H new ATOM 0 HA THR A 93 12.867 -7.070 -11.223 1.00 0.00 H new ATOM 0 HB THR A 93 13.140 -9.485 -13.023 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.961 -10.064 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.932 -8.241 -14.247 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.368 -7.393 -14.250 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.669 -6.856 -13.160 1.00 0.00 H new ATOM 1430 N THR A 94 10.259 -8.668 -12.072 1.00 0.00 N ATOM 1431 CA THR A 94 9.093 -8.746 -12.985 1.00 0.00 C ATOM 1432 C THR A 94 7.751 -8.442 -12.355 1.00 0.00 C ATOM 1433 O THR A 94 6.906 -7.831 -13.014 1.00 0.00 O ATOM 1434 CB THR A 94 9.051 -10.112 -13.680 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.342 -10.499 -14.115 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.129 -10.080 -14.895 1.00 0.00 C ATOM 0 H THR A 94 10.179 -9.246 -11.235 1.00 0.00 H new ATOM 0 HA THR A 94 9.253 -7.948 -13.710 1.00 0.00 H new ATOM 0 HB THR A 94 8.675 -10.829 -12.950 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.337 -10.621 -15.087 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.118 -11.061 -15.369 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.119 -9.818 -14.579 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.490 -9.337 -15.606 1.00 0.00 H new ATOM 1444 N GLU A 95 7.630 -8.726 -11.062 1.00 0.00 N ATOM 1445 CA GLU A 95 6.480 -8.456 -10.200 1.00 0.00 C ATOM 1446 C GLU A 95 5.191 -9.152 -10.677 1.00 0.00 C ATOM 1447 O GLU A 95 4.735 -9.028 -11.810 1.00 0.00 O ATOM 1448 CB GLU A 95 6.306 -6.938 -10.013 1.00 0.00 C ATOM 1449 CG GLU A 95 7.593 -6.112 -10.106 1.00 0.00 C ATOM 1450 CD GLU A 95 7.462 -4.697 -9.515 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.632 -3.898 -10.012 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.226 -4.376 -8.569 1.00 0.00 O ATOM 0 H GLU A 95 8.385 -9.183 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 95 6.685 -8.895 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.606 -6.574 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.849 -6.759 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.392 -6.641 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.890 -6.034 -11.152 1.00 0.00 H new ATOM 1459 N LEU A 96 4.607 -9.942 -9.776 1.00 0.00 N ATOM 1460 CA LEU A 96 3.543 -10.903 -10.134 1.00 0.00 C ATOM 1461 C LEU A 96 2.112 -10.406 -9.906 1.00 0.00 C ATOM 1462 O LEU A 96 1.221 -10.743 -10.682 1.00 0.00 O ATOM 1463 CB LEU A 96 3.739 -12.190 -9.331 1.00 0.00 C ATOM 1464 CG LEU A 96 5.156 -12.788 -9.371 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.347 -13.752 -8.211 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.431 -13.517 -10.673 1.00 0.00 C ATOM 0 H LEU A 96 4.849 -9.941 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 96 3.644 -11.059 -11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.476 -11.992 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.038 -12.938 -9.700 1.00 0.00 H new ATOM 0 HG LEU A 96 5.858 -11.958 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.353 -14.170 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.209 -13.220 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.616 -14.557 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.443 -13.922 -10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.716 -14.331 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.332 -12.822 -11.507 1.00 0.00 H new ATOM 1478 N VAL A 97 1.902 -9.628 -8.840 1.00 0.00 N ATOM 1479 CA VAL A 97 0.638 -9.045 -8.344 1.00 0.00 C ATOM 1480 C VAL A 97 0.932 -8.284 -7.034 1.00 0.00 C ATOM 1481 O VAL A 97 2.065 -8.313 -6.558 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.475 -10.105 -8.180 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.166 -11.181 -7.163 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.814 -9.520 -7.758 1.00 0.00 C ATOM 0 H VAL A 97 2.683 -9.361 -8.241 1.00 0.00 H new ATOM 0 HA VAL A 97 0.249 -8.344 -9.083 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.527 -10.531 -9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.999 -11.883 -7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.738 -11.712 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.015 -10.724 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.547 -10.321 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.704 -9.013 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.152 -8.806 -8.509 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.065 -7.657 -6.405 1.00 0.00 N ATOM 1495 CA ARG A 98 0.009 -7.101 -5.048 1.00 0.00 C ATOM 1496 C ARG A 98 -0.845 -7.854 -4.036 1.00 0.00 C ATOM 1497 O ARG A 98 -1.948 -8.264 -4.397 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.347 -5.604 -5.091 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.811 -5.372 -5.476 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.133 -3.875 -5.548 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.476 -3.631 -6.109 1.00 0.00 N ATOM 1502 CZ ARG A 98 -3.842 -3.746 -7.375 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -3.023 -4.063 -8.334 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -5.076 -3.579 -7.744 1.00 0.00 N ATOM 0 H ARG A 98 -0.977 -7.517 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 98 1.034 -7.222 -4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.154 -5.157 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.301 -5.098 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.015 -5.838 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.463 -5.852 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.071 -3.441 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.386 -3.371 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.199 -3.343 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.040 -4.238 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.364 -4.137 -9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.790 -3.353 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.332 -3.673 -8.727 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.414 -7.983 -2.770 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.231 -8.623 -1.714 1.00 0.00 C ATOM 1520 C VAL A 99 -1.487 -7.609 -0.609 1.00 0.00 C ATOM 1521 O VAL A 99 -0.573 -6.888 -0.197 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.592 -9.914 -1.164 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.671 -10.778 -0.501 1.00 0.00 C ATOM 1524 CG2 VAL A 99 0.061 -10.762 -2.262 1.00 0.00 C ATOM 0 H VAL A 99 0.496 -7.653 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.179 -8.934 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 99 0.175 -9.604 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.219 -11.690 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.129 -10.223 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.433 -11.036 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.495 -11.659 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.692 -11.048 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.844 -10.183 -2.751 1.00 0.00 H new ATOM 1534 N THR A 100 -2.742 -7.482 -0.177 1.00 0.00 N ATOM 1535 CA THR A 100 -3.180 -6.397 0.709 1.00 0.00 C ATOM 1536 C THR A 100 -4.190 -6.840 1.768 1.00 0.00 C ATOM 1537 O THR A 100 -5.285 -7.306 1.468 1.00 0.00 O ATOM 1538 CB THR A 100 -3.618 -5.190 -0.137 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.574 -4.051 0.696 1.00 0.00 O ATOM 1540 CG2 THR A 100 -5.028 -5.280 -0.718 1.00 0.00 C ATOM 0 H THR A 100 -3.488 -8.130 -0.431 1.00 0.00 H new ATOM 0 HA THR A 100 -2.332 -6.077 1.314 1.00 0.00 H new ATOM 0 HB THR A 100 -2.938 -5.148 -0.988 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.847 -3.261 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.241 -4.382 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.100 -6.154 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.751 -5.369 0.093 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.824 -6.706 3.042 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.655 -7.072 4.195 1.00 0.00 C ATOM 1550 C ASN A 101 -5.857 -6.118 4.415 1.00 0.00 C ATOM 1551 O ASN A 101 -6.642 -6.316 5.342 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.700 -7.137 5.400 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.365 -7.475 6.723 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -4.484 -6.648 7.618 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -4.789 -8.707 6.916 1.00 0.00 N ATOM 0 H ASN A 101 -2.915 -6.329 3.311 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.137 -8.036 4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.930 -7.881 5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.196 -6.176 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.213 -8.967 7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.693 -9.401 6.175 1.00 0.00 H new