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 -113:sc= 0.998 USER MOD Set 1.2: A 93 THR OG1 : rot -173:sc= 0.866 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.796 K(o=1.5,f=-0.36) USER MOD Set 2.2: A 68 THR OG1 : rot -141:sc= 0.715 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.508 USER MOD Set 3.2: A 71 LYS NZ :NH3+ 136:sc= 1.59 (180deg=-0.0728) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 175:sc= 0.818 (180deg=0) USER MOD Set 4.2: A 77 THR OG1 : rot 170:sc= 0.736 USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= 2.29 (180deg=1.19) USER MOD Single : A 7 GLN : amide:sc= 1.04 K(o=1,f=-0.083) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.351 K(o=0.35,f=-4.1!) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0.932 (180deg=0.899) USER MOD Single : A 18 LYS NZ :NH3+ -122:sc= 0.684 (180deg=0.0989) 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= -0.41 K(o=-0.41,f=-5!) USER MOD Single : A 67 HIS : no HD1:sc= 0.571 K(o=0.57,f=-2!) USER MOD Single : A 84 ASN : amide:sc= 0.958 K(o=0.96,f=0) 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= 0.112 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.934 K(o=0.93,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 1.922 -5.148 -0.264 1.00 0.00 N ATOM 16 CA VAL A 2 3.013 -5.936 -0.872 1.00 0.00 C ATOM 17 C VAL A 2 2.873 -5.953 -2.367 1.00 0.00 C ATOM 18 O VAL A 2 1.768 -6.068 -2.865 1.00 0.00 O ATOM 19 CB VAL A 2 2.938 -7.404 -0.443 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.615 -8.482 -1.301 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.492 -7.582 0.941 1.00 0.00 C ATOM 0 HA VAL A 2 3.946 -5.474 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 2 1.867 -7.576 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.459 -9.460 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.183 -8.475 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.684 -8.278 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.429 -8.632 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.534 -7.263 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.916 -6.980 1.644 1.00 0.00 H new ATOM 31 N ILE A 3 3.996 -5.976 -3.062 1.00 0.00 N ATOM 32 CA ILE A 3 4.099 -6.301 -4.482 1.00 0.00 C ATOM 33 C ILE A 3 4.773 -7.681 -4.486 1.00 0.00 C ATOM 34 O ILE A 3 5.970 -7.777 -4.221 1.00 0.00 O ATOM 35 CB ILE A 3 4.917 -5.233 -5.237 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.261 -3.834 -5.314 1.00 0.00 C ATOM 37 CG2 ILE A 3 5.136 -5.707 -6.681 1.00 0.00 C ATOM 38 CD1 ILE A 3 4.004 -3.093 -3.997 1.00 0.00 C ATOM 0 H ILE A 3 4.900 -5.761 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 3 3.138 -6.318 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 3 5.840 -5.123 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.893 -3.201 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.307 -3.939 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.714 -4.960 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.679 -6.652 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.171 -5.846 -7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.541 -2.129 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.339 -3.686 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.949 -2.937 -3.477 1.00 0.00 H new ATOM 50 N ILE A 4 3.990 -8.760 -4.615 1.00 0.00 N ATOM 51 CA ILE A 4 4.437 -10.140 -4.416 1.00 0.00 C ATOM 52 C ILE A 4 5.465 -10.499 -5.505 1.00 0.00 C ATOM 53 O ILE A 4 5.359 -10.045 -6.654 1.00 0.00 O ATOM 54 CB ILE A 4 3.196 -11.062 -4.489 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.135 -12.156 -3.420 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.001 -11.746 -5.834 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.340 -13.103 -3.320 1.00 0.00 C ATOM 0 H ILE A 4 3.004 -8.693 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 4 4.916 -10.264 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 4 2.395 -10.344 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.001 -11.675 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.245 -12.759 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.110 -12.372 -5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.883 -10.992 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.870 -12.365 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.168 -13.828 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.471 -13.627 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.238 -12.527 -3.097 1.00 0.00 H new ATOM 69 N LYS A 5 6.440 -11.354 -5.179 1.00 0.00 N ATOM 70 CA LYS A 5 7.525 -11.750 -6.100 1.00 0.00 C ATOM 71 C LYS A 5 7.963 -13.217 -5.963 1.00 0.00 C ATOM 72 O LYS A 5 7.790 -13.812 -4.896 1.00 0.00 O ATOM 73 CB LYS A 5 8.696 -10.799 -5.875 1.00 0.00 C ATOM 74 CG LYS A 5 8.309 -9.410 -6.358 1.00 0.00 C ATOM 75 CD LYS A 5 9.488 -8.515 -6.669 1.00 0.00 C ATOM 76 CE LYS A 5 8.885 -7.118 -6.794 1.00 0.00 C ATOM 77 NZ LYS A 5 9.904 -6.056 -6.985 1.00 0.00 N ATOM 0 H LYS A 5 6.504 -11.797 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 5 7.148 -11.676 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.959 -10.770 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.576 -11.152 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.693 -9.506 -7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.693 -8.931 -5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.236 -8.555 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.983 -8.817 -7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.192 -7.103 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.304 -6.898 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.481 -5.258 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.243 -5.729 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.703 -6.436 -7.531 1.00 0.00 H new ATOM 91 N PRO A 6 8.511 -13.796 -7.046 1.00 0.00 N ATOM 92 CA PRO A 6 8.840 -15.215 -7.100 1.00 0.00 C ATOM 93 C PRO A 6 10.175 -15.531 -6.407 1.00 0.00 C ATOM 94 O PRO A 6 11.126 -14.758 -6.485 1.00 0.00 O ATOM 95 CB PRO A 6 8.891 -15.530 -8.595 1.00 0.00 C ATOM 96 CG PRO A 6 9.323 -14.228 -9.257 1.00 0.00 C ATOM 97 CD PRO A 6 8.757 -13.158 -8.341 1.00 0.00 C ATOM 0 HA PRO A 6 8.108 -15.823 -6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.597 -16.333 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.918 -15.856 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.408 -14.158 -9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.926 -14.141 -10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.457 -12.329 -8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.834 -12.747 -8.751 1.00 0.00 H new ATOM 105 N GLN A 7 10.273 -16.698 -5.763 1.00 0.00 N ATOM 106 CA GLN A 7 11.502 -17.131 -5.071 1.00 0.00 C ATOM 107 C GLN A 7 12.652 -17.562 -6.011 1.00 0.00 C ATOM 108 O GLN A 7 13.793 -17.697 -5.559 1.00 0.00 O ATOM 109 CB GLN A 7 11.174 -18.216 -4.024 1.00 0.00 C ATOM 110 CG GLN A 7 10.639 -19.544 -4.589 1.00 0.00 C ATOM 111 CD GLN A 7 10.517 -20.625 -3.514 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.441 -20.896 -2.759 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.386 -21.286 -3.384 1.00 0.00 N ATOM 0 H GLN A 7 9.508 -17.371 -5.704 1.00 0.00 H new ATOM 0 HA GLN A 7 11.889 -16.249 -4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.075 -18.424 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.437 -17.814 -3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.663 -19.376 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.303 -19.894 -5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.601 -21.079 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.295 -22.005 -2.666 1.00 0.00 H new ATOM 122 N VAL A 8 12.378 -17.748 -7.310 1.00 0.00 N ATOM 123 CA VAL A 8 13.347 -18.055 -8.383 1.00 0.00 C ATOM 124 C VAL A 8 12.956 -17.357 -9.687 1.00 0.00 C ATOM 125 O VAL A 8 11.782 -17.024 -9.879 1.00 0.00 O ATOM 126 CB VAL A 8 13.455 -19.576 -8.659 1.00 0.00 C ATOM 127 CG1 VAL A 8 13.979 -20.352 -7.444 1.00 0.00 C ATOM 128 CG2 VAL A 8 12.132 -20.210 -9.107 1.00 0.00 C ATOM 0 H VAL A 8 11.424 -17.686 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 8 14.313 -17.690 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 8 14.169 -19.651 -9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.037 -21.413 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.971 -19.986 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.302 -20.209 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.280 -21.275 -9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.381 -20.072 -8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.794 -19.734 -10.027 1.00 0.00 H new ATOM 138 N SER A 9 13.903 -17.161 -10.604 1.00 0.00 N ATOM 139 CA SER A 9 13.596 -16.743 -11.981 1.00 0.00 C ATOM 140 C SER A 9 13.142 -17.946 -12.834 1.00 0.00 C ATOM 141 O SER A 9 13.423 -19.099 -12.503 1.00 0.00 O ATOM 142 CB SER A 9 14.820 -16.063 -12.602 1.00 0.00 C ATOM 143 OG SER A 9 15.919 -16.953 -12.708 1.00 0.00 O ATOM 0 H SER A 9 14.899 -17.285 -10.420 1.00 0.00 H new ATOM 0 HA SER A 9 12.773 -16.028 -11.955 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.563 -15.684 -13.591 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.105 -15.204 -11.995 1.00 0.00 H new ATOM 0 HG SER A 9 16.681 -16.486 -13.110 1.00 0.00 H new ATOM 149 N GLY A 10 12.421 -17.705 -13.930 1.00 0.00 N ATOM 150 CA GLY A 10 11.809 -18.740 -14.771 1.00 0.00 C ATOM 151 C GLY A 10 10.582 -18.185 -15.479 1.00 0.00 C ATOM 152 O GLY A 10 10.507 -16.979 -15.693 1.00 0.00 O ATOM 0 H GLY A 10 12.241 -16.760 -14.268 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.531 -19.096 -15.505 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.528 -19.597 -14.159 1.00 0.00 H new ATOM 156 N VAL A 11 9.598 -19.019 -15.818 1.00 0.00 N ATOM 157 CA VAL A 11 8.381 -18.591 -16.469 1.00 0.00 C ATOM 158 C VAL A 11 7.138 -19.159 -15.806 1.00 0.00 C ATOM 159 O VAL A 11 7.159 -20.302 -15.370 1.00 0.00 O ATOM 160 CB VAL A 11 8.409 -19.020 -17.932 1.00 0.00 C ATOM 161 CG1 VAL A 11 9.705 -18.719 -18.689 1.00 0.00 C ATOM 162 CG2 VAL A 11 7.929 -20.420 -18.308 1.00 0.00 C ATOM 0 H VAL A 11 9.634 -20.023 -15.641 1.00 0.00 H new ATOM 0 HA VAL A 11 8.333 -17.505 -16.386 1.00 0.00 H new ATOM 0 HB VAL A 11 7.620 -18.347 -18.268 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.614 -19.066 -19.718 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.889 -17.645 -18.683 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.536 -19.232 -18.205 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.017 -20.558 -19.386 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.540 -21.164 -17.796 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.887 -20.539 -18.011 1.00 0.00 H new ATOM 172 N ILE A 12 6.034 -18.413 -15.772 1.00 0.00 N ATOM 173 CA ILE A 12 4.776 -18.889 -15.160 1.00 0.00 C ATOM 174 C ILE A 12 4.224 -20.151 -15.868 1.00 0.00 C ATOM 175 O ILE A 12 4.249 -20.247 -17.093 1.00 0.00 O ATOM 176 CB ILE A 12 3.709 -17.783 -15.175 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.195 -16.377 -14.756 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.470 -18.158 -14.337 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.907 -16.267 -13.399 1.00 0.00 C ATOM 0 H ILE A 12 5.977 -17.472 -16.161 1.00 0.00 H new ATOM 0 HA ILE A 12 5.009 -19.155 -14.129 1.00 0.00 H new ATOM 0 HB ILE A 12 3.446 -17.715 -16.231 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.872 -16.008 -15.526 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.333 -15.709 -14.743 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.744 -17.346 -14.378 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.021 -19.067 -14.738 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.768 -18.327 -13.302 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.197 -15.231 -13.223 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.233 -16.594 -12.607 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.796 -16.897 -13.403 1.00 0.00 H new ATOM 191 N VAL A 13 3.638 -21.066 -15.094 1.00 0.00 N ATOM 192 CA VAL A 13 3.061 -22.356 -15.527 1.00 0.00 C ATOM 193 C VAL A 13 1.594 -22.485 -15.099 1.00 0.00 C ATOM 194 O VAL A 13 0.780 -23.036 -15.847 1.00 0.00 O ATOM 195 CB VAL A 13 3.857 -23.536 -14.925 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.374 -24.900 -15.428 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.348 -23.456 -15.248 1.00 0.00 C ATOM 0 H VAL A 13 3.544 -20.926 -14.088 1.00 0.00 H new ATOM 0 HA VAL A 13 3.119 -22.384 -16.615 1.00 0.00 H new ATOM 0 HB VAL A 13 3.689 -23.450 -13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.971 -25.689 -14.970 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.326 -25.036 -15.160 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.481 -24.947 -16.512 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.863 -24.307 -14.803 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.488 -23.472 -16.329 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.759 -22.531 -14.843 1.00 0.00 H new ATOM 207 N ASN A 14 1.234 -21.961 -13.921 1.00 0.00 N ATOM 208 CA ASN A 14 -0.139 -21.950 -13.400 1.00 0.00 C ATOM 209 C ASN A 14 -0.398 -20.708 -12.531 1.00 0.00 C ATOM 210 O ASN A 14 0.542 -20.121 -11.974 1.00 0.00 O ATOM 211 CB ASN A 14 -0.385 -23.243 -12.582 1.00 0.00 C ATOM 212 CG ASN A 14 -1.853 -23.645 -12.473 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.756 -22.962 -12.928 1.00 0.00 O ATOM 214 ND2 ASN A 14 -2.136 -24.770 -11.855 1.00 0.00 N ATOM 0 H ASN A 14 1.904 -21.523 -13.289 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.831 -21.911 -14.241 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.171 -24.061 -13.041 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.018 -23.107 -11.579 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.107 -25.068 -11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.385 -25.345 -11.473 1.00 0.00 H new ATOM 221 N LYS A 15 -1.685 -20.379 -12.375 1.00 0.00 N ATOM 222 CA LYS A 15 -2.250 -19.267 -11.617 1.00 0.00 C ATOM 223 C LYS A 15 -3.245 -19.832 -10.610 1.00 0.00 C ATOM 224 O LYS A 15 -4.414 -20.082 -10.926 1.00 0.00 O ATOM 225 CB LYS A 15 -2.944 -18.284 -12.578 1.00 0.00 C ATOM 226 CG LYS A 15 -2.002 -17.629 -13.598 1.00 0.00 C ATOM 227 CD LYS A 15 -1.296 -16.374 -13.084 1.00 0.00 C ATOM 228 CE LYS A 15 -2.233 -15.162 -12.989 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.716 -14.675 -14.308 1.00 0.00 N ATOM 0 H LYS A 15 -2.418 -20.935 -12.816 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.465 -18.726 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.731 -18.813 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.428 -17.502 -11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.250 -18.357 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.573 -17.371 -14.490 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.872 -16.578 -12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.464 -16.134 -13.746 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.092 -15.426 -12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.712 -14.351 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.457 -13.960 -14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.924 -14.252 -14.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.105 -15.472 -14.851 1.00 0.00 H new ATOM 243 N LEU A 16 -2.765 -20.082 -9.397 1.00 0.00 N ATOM 244 CA LEU A 16 -3.557 -20.663 -8.321 1.00 0.00 C ATOM 245 C LEU A 16 -4.591 -19.677 -7.781 1.00 0.00 C ATOM 246 O LEU A 16 -5.775 -19.996 -7.632 1.00 0.00 O ATOM 247 CB LEU A 16 -2.614 -21.100 -7.207 1.00 0.00 C ATOM 248 CG LEU A 16 -1.812 -22.382 -7.489 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.543 -23.457 -8.298 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.483 -22.117 -8.167 1.00 0.00 C ATOM 0 H LEU A 16 -1.801 -19.884 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.106 -21.519 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.913 -20.289 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.197 -21.248 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.657 -22.771 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.887 -24.316 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.439 -23.769 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.824 -23.052 -9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.033 -23.062 -8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.654 -21.619 -9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.130 -21.479 -7.530 1.00 0.00 H new ATOM 262 N PHE A 17 -4.136 -18.452 -7.531 1.00 0.00 N ATOM 263 CA PHE A 17 -4.953 -17.338 -7.052 1.00 0.00 C ATOM 264 C PHE A 17 -5.887 -16.780 -8.141 1.00 0.00 C ATOM 265 O PHE A 17 -5.914 -17.258 -9.279 1.00 0.00 O ATOM 266 CB PHE A 17 -4.037 -16.260 -6.452 1.00 0.00 C ATOM 267 CG PHE A 17 -3.602 -15.156 -7.401 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.610 -15.376 -8.374 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.237 -13.903 -7.337 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.298 -14.357 -9.290 1.00 0.00 C ATOM 271 CE2 PHE A 17 -3.880 -12.867 -8.209 1.00 0.00 C ATOM 272 CZ PHE A 17 -2.900 -13.093 -9.186 1.00 0.00 C ATOM 0 H PHE A 17 -3.157 -18.198 -7.660 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.618 -17.705 -6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.551 -15.804 -5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.145 -16.747 -6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.091 -16.322 -8.417 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.012 -13.737 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.588 -14.548 -10.081 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.356 -11.901 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.609 -12.298 -9.856 1.00 0.00 H new ATOM 282 N LYS A 18 -6.659 -15.753 -7.780 1.00 0.00 N ATOM 283 CA LYS A 18 -7.585 -15.042 -8.677 1.00 0.00 C ATOM 284 C LYS A 18 -7.484 -13.531 -8.500 1.00 0.00 C ATOM 285 O LYS A 18 -7.525 -13.011 -7.384 1.00 0.00 O ATOM 286 CB LYS A 18 -9.017 -15.497 -8.415 1.00 0.00 C ATOM 287 CG LYS A 18 -9.256 -17.000 -8.566 1.00 0.00 C ATOM 288 CD LYS A 18 -9.187 -17.494 -10.025 1.00 0.00 C ATOM 289 CE LYS A 18 -9.116 -19.024 -10.142 1.00 0.00 C ATOM 290 NZ LYS A 18 -7.752 -19.547 -9.836 1.00 0.00 N ATOM 0 H LYS A 18 -6.661 -15.379 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.306 -15.282 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.298 -15.200 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.681 -14.968 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.516 -17.538 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.234 -17.247 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.063 -17.135 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.313 -17.058 -10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.838 -19.473 -9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.401 -19.324 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.394 -20.082 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.112 -18.752 -9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.798 -20.172 -9.006 1.00 0.00 H new ATOM 304 N ALA A 19 -7.383 -12.831 -9.620 1.00 0.00 N ATOM 305 CA ALA A 19 -7.281 -11.378 -9.716 1.00 0.00 C ATOM 306 C ALA A 19 -8.517 -10.662 -9.132 1.00 0.00 C ATOM 307 O ALA A 19 -9.560 -10.555 -9.787 1.00 0.00 O ATOM 308 CB ALA A 19 -7.018 -11.027 -11.187 1.00 0.00 C ATOM 0 H ALA A 19 -7.369 -13.282 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.452 -11.019 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.936 -9.945 -11.294 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.089 -11.495 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.842 -11.391 -11.801 1.00 0.00 H new ATOM 314 N GLY A 20 -8.393 -10.204 -7.886 1.00 0.00 N ATOM 315 CA GLY A 20 -9.410 -9.444 -7.156 1.00 0.00 C ATOM 316 C GLY A 20 -10.003 -10.166 -5.932 1.00 0.00 C ATOM 317 O GLY A 20 -10.707 -9.532 -5.145 1.00 0.00 O ATOM 0 H GLY A 20 -7.548 -10.358 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.972 -8.502 -6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.220 -9.197 -7.842 1.00 0.00 H new ATOM 321 N ASP A 21 -9.762 -11.474 -5.766 1.00 0.00 N ATOM 322 CA ASP A 21 -10.295 -12.273 -4.649 1.00 0.00 C ATOM 323 C ASP A 21 -9.532 -12.066 -3.310 1.00 0.00 C ATOM 324 O ASP A 21 -8.690 -11.169 -3.173 1.00 0.00 O ATOM 325 CB ASP A 21 -10.299 -13.740 -5.103 1.00 0.00 C ATOM 326 CG ASP A 21 -11.537 -14.520 -4.610 1.00 0.00 C ATOM 327 OD1 ASP A 21 -11.829 -14.508 -3.393 1.00 0.00 O ATOM 328 OD2 ASP A 21 -12.230 -15.149 -5.446 1.00 0.00 O ATOM 0 H ASP A 21 -9.185 -12.015 -6.410 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.307 -11.940 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.262 -13.778 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.397 -14.231 -4.736 1.00 0.00 H new ATOM 333 N LYS A 22 -9.819 -12.908 -2.311 1.00 0.00 N ATOM 334 CA LYS A 22 -9.065 -13.022 -1.052 1.00 0.00 C ATOM 335 C LYS A 22 -7.972 -14.101 -1.144 1.00 0.00 C ATOM 336 O LYS A 22 -8.020 -14.996 -1.997 1.00 0.00 O ATOM 337 CB LYS A 22 -10.037 -13.331 0.105 1.00 0.00 C ATOM 338 CG LYS A 22 -10.980 -12.166 0.471 1.00 0.00 C ATOM 339 CD LYS A 22 -10.254 -11.023 1.199 1.00 0.00 C ATOM 340 CE LYS A 22 -11.183 -9.867 1.621 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.640 -9.065 0.455 1.00 0.00 N ATOM 0 H LYS A 22 -10.609 -13.552 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.567 -12.071 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.639 -14.199 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.458 -13.605 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.441 -11.778 -0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.785 -12.540 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.762 -11.424 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.472 -10.630 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.049 -10.271 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.659 -9.219 2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.328 -8.352 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.824 -8.589 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.088 -9.692 -0.243 1.00 0.00 H new ATOM 355 N VAL A 23 -7.017 -14.042 -0.218 1.00 0.00 N ATOM 356 CA VAL A 23 -5.961 -15.041 0.030 1.00 0.00 C ATOM 357 C VAL A 23 -5.899 -15.370 1.528 1.00 0.00 C ATOM 358 O VAL A 23 -5.994 -14.464 2.359 1.00 0.00 O ATOM 359 CB VAL A 23 -4.581 -14.580 -0.477 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.546 -14.521 -2.011 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.110 -13.213 0.037 1.00 0.00 C ATOM 0 H VAL A 23 -6.949 -13.250 0.422 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.220 -15.938 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.904 -15.334 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.560 -14.193 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.753 -15.511 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.300 -13.818 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.129 -12.986 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.821 -12.445 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.045 -13.236 1.125 1.00 0.00 H new ATOM 371 N LYS A 24 -5.751 -16.655 1.886 1.00 0.00 N ATOM 372 CA LYS A 24 -5.432 -17.136 3.234 1.00 0.00 C ATOM 373 C LYS A 24 -3.972 -16.765 3.591 1.00 0.00 C ATOM 374 O LYS A 24 -3.235 -16.351 2.695 1.00 0.00 O ATOM 375 CB LYS A 24 -5.794 -18.629 3.230 1.00 0.00 C ATOM 376 CG LYS A 24 -5.533 -19.330 4.549 1.00 0.00 C ATOM 377 CD LYS A 24 -6.226 -18.744 5.776 1.00 0.00 C ATOM 378 CE LYS A 24 -5.880 -19.654 6.960 1.00 0.00 C ATOM 379 NZ LYS A 24 -6.809 -20.808 7.094 1.00 0.00 N ATOM 0 H LYS A 24 -5.855 -17.416 1.215 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.001 -16.667 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.849 -18.736 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.225 -19.128 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.838 -20.372 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.458 -19.329 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.887 -17.725 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.305 -18.699 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.862 -20.025 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.900 -19.069 7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.527 -21.388 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.778 -20.459 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.772 -21.385 6.230 1.00 0.00 H new ATOM 393 N LYS A 25 -3.541 -16.912 4.861 1.00 0.00 N ATOM 394 CA LYS A 25 -2.217 -16.602 5.497 1.00 0.00 C ATOM 395 C LYS A 25 -0.952 -17.219 4.832 1.00 0.00 C ATOM 396 O LYS A 25 -0.095 -17.779 5.521 1.00 0.00 O ATOM 397 CB LYS A 25 -2.234 -16.954 6.994 1.00 0.00 C ATOM 398 CG LYS A 25 -3.323 -16.322 7.862 1.00 0.00 C ATOM 399 CD LYS A 25 -3.035 -14.904 8.391 1.00 0.00 C ATOM 400 CE LYS A 25 -1.829 -14.851 9.342 1.00 0.00 C ATOM 401 NZ LYS A 25 -1.739 -13.546 10.054 1.00 0.00 N ATOM 0 H LYS A 25 -4.179 -17.295 5.558 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.113 -15.529 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.321 -18.037 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.267 -16.677 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.247 -16.291 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.503 -16.976 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.855 -14.237 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.917 -14.530 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.906 -15.658 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.913 -15.019 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.913 -13.551 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.640 -12.778 9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.602 -13.396 10.615 1.00 0.00 H new ATOM 415 N GLY A 26 -0.839 -17.174 3.506 1.00 0.00 N ATOM 416 CA GLY A 26 0.217 -17.814 2.720 1.00 0.00 C ATOM 417 C GLY A 26 -0.262 -18.787 1.645 1.00 0.00 C ATOM 418 O GLY A 26 0.504 -19.666 1.248 1.00 0.00 O ATOM 0 H GLY A 26 -1.508 -16.670 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.812 -17.036 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.879 -18.349 3.401 1.00 0.00 H new ATOM 422 N GLN A 27 -1.520 -18.698 1.204 1.00 0.00 N ATOM 423 CA GLN A 27 -2.008 -19.527 0.097 1.00 0.00 C ATOM 424 C GLN A 27 -1.097 -19.472 -1.140 1.00 0.00 C ATOM 425 O GLN A 27 -0.456 -18.463 -1.437 1.00 0.00 O ATOM 426 CB GLN A 27 -3.497 -19.329 -0.172 1.00 0.00 C ATOM 427 CG GLN A 27 -3.765 -18.396 -1.317 1.00 0.00 C ATOM 428 CD GLN A 27 -5.258 -18.222 -1.559 1.00 0.00 C ATOM 429 OE1 GLN A 27 -6.076 -18.250 -0.653 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.664 -18.087 -2.798 1.00 0.00 N ATOM 0 H GLN A 27 -2.217 -18.063 1.594 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.936 -20.566 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.955 -20.296 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.975 -18.939 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.314 -17.426 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.292 -18.782 -2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.984 -18.063 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.660 -18.006 -3.002 1.00 0.00 H new ATOM 439 N THR A 28 -1.037 -20.585 -1.863 1.00 0.00 N ATOM 440 CA THR A 28 -0.249 -20.716 -3.096 1.00 0.00 C ATOM 441 C THR A 28 -0.872 -19.872 -4.209 1.00 0.00 C ATOM 442 O THR A 28 -2.094 -19.812 -4.351 1.00 0.00 O ATOM 443 CB THR A 28 -0.129 -22.198 -3.464 1.00 0.00 C ATOM 444 OG1 THR A 28 0.345 -22.907 -2.330 1.00 0.00 O ATOM 445 CG2 THR A 28 0.878 -22.457 -4.587 1.00 0.00 C ATOM 0 H THR A 28 -1.539 -21.436 -1.611 1.00 0.00 H new ATOM 0 HA THR A 28 0.761 -20.335 -2.946 1.00 0.00 H new ATOM 0 HB THR A 28 -1.116 -22.521 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.426 -23.859 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.917 -23.525 -4.801 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.570 -21.918 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.865 -22.113 -4.277 1.00 0.00 H new ATOM 453 N LEU A 29 -0.020 -19.210 -4.993 1.00 0.00 N ATOM 454 CA LEU A 29 -0.368 -18.157 -5.948 1.00 0.00 C ATOM 455 C LEU A 29 0.061 -18.488 -7.384 1.00 0.00 C ATOM 456 O LEU A 29 -0.739 -18.358 -8.310 1.00 0.00 O ATOM 457 CB LEU A 29 0.301 -16.854 -5.510 1.00 0.00 C ATOM 458 CG LEU A 29 -0.017 -16.360 -4.092 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.459 -14.923 -4.029 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.485 -16.370 -3.668 1.00 0.00 C ATOM 0 H LEU A 29 0.981 -19.403 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.454 -18.063 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.380 -16.981 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.018 -16.072 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 29 0.476 -17.056 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.258 -14.516 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.530 -14.886 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.068 -14.332 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.571 -15.998 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.061 -15.731 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.871 -17.388 -3.717 1.00 0.00 H new ATOM 472 N PHE A 30 1.293 -18.966 -7.573 1.00 0.00 N ATOM 473 CA PHE A 30 1.861 -19.261 -8.904 1.00 0.00 C ATOM 474 C PHE A 30 2.716 -20.520 -8.903 1.00 0.00 C ATOM 475 O PHE A 30 3.151 -21.007 -7.855 1.00 0.00 O ATOM 476 CB PHE A 30 2.720 -18.083 -9.421 1.00 0.00 C ATOM 477 CG PHE A 30 2.102 -16.707 -9.351 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.177 -15.935 -8.172 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.494 -16.178 -10.499 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.553 -14.671 -8.094 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.893 -14.910 -10.437 1.00 0.00 C ATOM 482 CZ PHE A 30 0.876 -14.184 -9.234 1.00 0.00 C ATOM 0 H PHE A 30 1.935 -19.163 -6.805 1.00 0.00 H new ATOM 0 HA PHE A 30 1.008 -19.417 -9.565 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.651 -18.067 -8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.983 -18.285 -10.459 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.719 -16.316 -7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.488 -16.740 -11.421 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.592 -14.090 -7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.440 -14.489 -11.322 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.342 -13.247 -9.181 1.00 0.00 H new ATOM 492 N ILE A 31 3.001 -20.999 -10.114 1.00 0.00 N ATOM 493 CA ILE A 31 3.964 -22.071 -10.406 1.00 0.00 C ATOM 494 C ILE A 31 4.863 -21.546 -11.529 1.00 0.00 C ATOM 495 O ILE A 31 4.371 -20.891 -12.447 1.00 0.00 O ATOM 496 CB ILE A 31 3.255 -23.370 -10.825 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.254 -23.757 -9.723 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.266 -24.511 -11.108 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.464 -25.029 -9.963 1.00 0.00 C ATOM 0 H ILE A 31 2.551 -20.639 -10.955 1.00 0.00 H new ATOM 0 HA ILE A 31 4.545 -22.321 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 31 2.719 -23.204 -11.760 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.799 -23.862 -8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.551 -22.935 -9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.726 -25.411 -11.401 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.936 -24.212 -11.914 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.848 -24.713 -10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.791 -25.203 -9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.882 -24.929 -10.879 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.150 -25.871 -10.059 1.00 0.00 H new ATOM 511 N ILE A 32 6.156 -21.842 -11.470 1.00 0.00 N ATOM 512 CA ILE A 32 7.182 -21.414 -12.418 1.00 0.00 C ATOM 513 C ILE A 32 7.945 -22.591 -12.969 1.00 0.00 C ATOM 514 O ILE A 32 8.102 -23.590 -12.277 1.00 0.00 O ATOM 515 CB ILE A 32 8.129 -20.417 -11.710 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.439 -19.049 -11.761 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.555 -20.319 -12.288 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.201 -17.970 -10.998 1.00 0.00 C ATOM 0 H ILE A 32 6.539 -22.418 -10.720 1.00 0.00 H new ATOM 0 HA ILE A 32 6.705 -20.923 -13.266 1.00 0.00 H new ATOM 0 HB ILE A 32 8.290 -20.782 -10.696 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.329 -18.742 -12.801 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.435 -19.139 -11.347 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.130 -19.592 -11.715 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.040 -21.293 -12.228 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.504 -20.003 -13.330 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.663 -17.025 -11.071 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.288 -18.258 -9.950 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.196 -17.855 -11.427 1.00 0.00 H new ATOM 530 N GLU A 33 8.469 -22.437 -14.183 1.00 0.00 N ATOM 531 CA GLU A 33 9.430 -23.357 -14.765 1.00 0.00 C ATOM 532 C GLU A 33 10.758 -22.613 -14.932 1.00 0.00 C ATOM 533 O GLU A 33 10.817 -21.616 -15.655 1.00 0.00 O ATOM 534 CB GLU A 33 8.866 -23.903 -16.078 1.00 0.00 C ATOM 535 CG GLU A 33 9.643 -25.140 -16.490 1.00 0.00 C ATOM 536 CD GLU A 33 8.962 -25.855 -17.670 1.00 0.00 C ATOM 537 OE1 GLU A 33 7.902 -26.490 -17.456 1.00 0.00 O ATOM 538 OE2 GLU A 33 9.470 -25.781 -18.816 1.00 0.00 O ATOM 0 H GLU A 33 8.231 -21.656 -14.795 1.00 0.00 H new ATOM 0 HA GLU A 33 9.615 -24.219 -14.124 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.810 -24.147 -15.959 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.931 -23.144 -16.857 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.659 -24.859 -16.768 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.722 -25.822 -15.644 1.00 0.00 H new ATOM 545 N GLN A 34 11.799 -23.056 -14.222 1.00 0.00 N ATOM 546 CA GLN A 34 13.115 -22.405 -14.200 1.00 0.00 C ATOM 547 C GLN A 34 13.858 -22.414 -15.552 1.00 0.00 C ATOM 548 O GLN A 34 14.875 -21.738 -15.702 1.00 0.00 O ATOM 549 CB GLN A 34 13.981 -23.015 -13.084 1.00 0.00 C ATOM 550 CG GLN A 34 13.504 -22.650 -11.668 1.00 0.00 C ATOM 551 CD GLN A 34 14.490 -23.112 -10.592 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.703 -23.026 -10.733 1.00 0.00 O ATOM 553 NE2 GLN A 34 14.030 -23.615 -9.469 1.00 0.00 N ATOM 0 H GLN A 34 11.752 -23.890 -13.637 1.00 0.00 H new ATOM 0 HA GLN A 34 12.930 -21.351 -13.993 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.984 -24.100 -13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.011 -22.680 -13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.371 -21.570 -11.598 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.530 -23.104 -11.486 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.024 -23.699 -9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.679 -23.921 -8.744 1.00 0.00 H new ATOM 1048 N HIS A 67 10.408 -27.115 -11.805 1.00 0.00 N ATOM 1049 CA HIS A 67 9.360 -26.208 -11.342 1.00 0.00 C ATOM 1050 C HIS A 67 9.608 -25.675 -9.926 1.00 0.00 C ATOM 1051 O HIS A 67 10.232 -26.347 -9.098 1.00 0.00 O ATOM 1052 CB HIS A 67 7.974 -26.894 -11.363 1.00 0.00 C ATOM 1053 CG HIS A 67 7.455 -27.299 -12.722 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.699 -28.441 -13.001 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.593 -26.580 -13.869 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.422 -28.381 -14.318 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.964 -27.281 -14.867 1.00 0.00 N ATOM 0 HA HIS A 67 9.380 -25.368 -12.037 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.022 -27.783 -10.735 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.250 -26.219 -10.906 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.103 -25.634 -13.974 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.844 -29.116 -14.858 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.916 -27.014 -15.850 1.00 0.00 H new ATOM 1065 N THR A 68 9.025 -24.511 -9.611 1.00 0.00 N ATOM 1066 CA THR A 68 8.981 -23.950 -8.250 1.00 0.00 C ATOM 1067 C THR A 68 7.649 -23.231 -8.002 1.00 0.00 C ATOM 1068 O THR A 68 7.110 -22.583 -8.896 1.00 0.00 O ATOM 1069 CB THR A 68 10.155 -22.975 -8.054 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.384 -23.605 -8.356 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.278 -22.472 -6.618 1.00 0.00 C ATOM 0 H THR A 68 8.563 -23.922 -10.304 1.00 0.00 H new ATOM 0 HA THR A 68 9.066 -24.766 -7.532 1.00 0.00 H new ATOM 0 HB THR A 68 9.947 -22.139 -8.722 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.067 -23.312 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.124 -21.788 -6.543 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.364 -21.950 -6.336 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.435 -23.318 -5.948 1.00 0.00 H new ATOM 1079 N GLU A 69 7.106 -23.342 -6.785 1.00 0.00 N ATOM 1080 CA GLU A 69 5.835 -22.720 -6.380 1.00 0.00 C ATOM 1081 C GLU A 69 6.058 -21.374 -5.668 1.00 0.00 C ATOM 1082 O GLU A 69 7.107 -21.145 -5.062 1.00 0.00 O ATOM 1083 CB GLU A 69 5.053 -23.690 -5.471 1.00 0.00 C ATOM 1084 CG GLU A 69 4.682 -24.998 -6.181 1.00 0.00 C ATOM 1085 CD GLU A 69 3.834 -25.897 -5.269 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.400 -26.545 -4.356 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.597 -25.978 -5.460 1.00 0.00 O ATOM 0 H GLU A 69 7.545 -23.878 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 69 5.254 -22.515 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.652 -23.917 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.144 -23.201 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.130 -24.776 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.589 -25.526 -6.477 1.00 0.00 H new ATOM 1094 N ILE A 70 5.063 -20.483 -5.726 1.00 0.00 N ATOM 1095 CA ILE A 70 5.096 -19.133 -5.158 1.00 0.00 C ATOM 1096 C ILE A 70 3.852 -18.956 -4.286 1.00 0.00 C ATOM 1097 O ILE A 70 2.751 -19.322 -4.711 1.00 0.00 O ATOM 1098 CB ILE A 70 5.183 -18.040 -6.244 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.433 -18.182 -7.136 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.234 -16.643 -5.588 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.306 -19.171 -8.291 1.00 0.00 C ATOM 0 H ILE A 70 4.178 -20.692 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 70 5.997 -19.020 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 70 4.295 -18.158 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.679 -17.202 -7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.272 -18.486 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.295 -15.879 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.333 -16.487 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.110 -16.576 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.239 -19.194 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.095 -20.165 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.493 -18.861 -8.948 1.00 0.00 H new ATOM 1113 N LYS A 71 4.013 -18.380 -3.088 1.00 0.00 N ATOM 1114 CA LYS A 71 2.989 -18.332 -2.029 1.00 0.00 C ATOM 1115 C LYS A 71 2.870 -16.929 -1.420 1.00 0.00 C ATOM 1116 O LYS A 71 3.853 -16.193 -1.370 1.00 0.00 O ATOM 1117 CB LYS A 71 3.354 -19.374 -0.945 1.00 0.00 C ATOM 1118 CG LYS A 71 3.421 -20.805 -1.506 1.00 0.00 C ATOM 1119 CD LYS A 71 3.790 -21.899 -0.491 1.00 0.00 C ATOM 1120 CE LYS A 71 2.847 -22.068 0.710 1.00 0.00 C ATOM 1121 NZ LYS A 71 1.417 -22.195 0.323 1.00 0.00 N ATOM 0 H LYS A 71 4.883 -17.921 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 71 2.017 -18.570 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.316 -19.114 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.616 -19.335 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.453 -21.051 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.150 -20.825 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.843 -22.851 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.790 -21.689 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.143 -22.953 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.961 -21.213 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.975 -22.959 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.924 -21.300 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.350 -22.415 -0.691 1.00 0.00 H new ATOM 1135 N ALA A 72 1.671 -16.564 -0.961 1.00 0.00 N ATOM 1136 CA ALA A 72 1.399 -15.281 -0.305 1.00 0.00 C ATOM 1137 C ALA A 72 2.229 -15.091 0.984 1.00 0.00 C ATOM 1138 O ALA A 72 2.719 -16.062 1.571 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.112 -15.186 -0.018 1.00 0.00 C ATOM 0 H ALA A 72 0.847 -17.161 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 72 1.700 -14.475 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.331 -14.236 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.665 -15.248 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.411 -16.007 0.634 1.00 0.00 H new ATOM 1145 N PRO A 73 2.356 -13.848 1.477 1.00 0.00 N ATOM 1146 CA PRO A 73 2.922 -13.570 2.802 1.00 0.00 C ATOM 1147 C PRO A 73 1.936 -13.776 3.965 1.00 0.00 C ATOM 1148 O PRO A 73 2.308 -14.284 5.022 1.00 0.00 O ATOM 1149 CB PRO A 73 3.294 -12.090 2.734 1.00 0.00 C ATOM 1150 CG PRO A 73 2.286 -11.496 1.752 1.00 0.00 C ATOM 1151 CD PRO A 73 2.135 -12.612 0.727 1.00 0.00 C ATOM 0 HA PRO A 73 3.748 -14.251 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.223 -11.616 3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.318 -11.952 2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.339 -11.257 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.653 -10.575 1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.145 -12.598 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.859 -12.506 -0.081 1.00 0.00 H new ATOM 1159 N PHE A 74 0.688 -13.342 3.778 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.348 -13.190 4.806 1.00 0.00 C ATOM 1161 C PHE A 74 -1.781 -13.177 4.225 1.00 0.00 C ATOM 1162 O PHE A 74 -1.972 -13.177 3.009 1.00 0.00 O ATOM 1163 CB PHE A 74 -0.070 -11.900 5.602 1.00 0.00 C ATOM 1164 CG PHE A 74 0.040 -10.613 4.774 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -1.086 -10.055 4.141 1.00 0.00 C ATOM 1166 CD2 PHE A 74 1.295 -10.008 4.556 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -0.959 -8.957 3.275 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.420 -8.881 3.727 1.00 0.00 C ATOM 1169 CZ PHE A 74 0.297 -8.361 3.072 1.00 0.00 C ATOM 0 H PHE A 74 0.353 -13.071 2.853 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.301 -14.059 5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.865 -11.770 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.858 -12.032 6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.063 -10.478 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.173 -10.417 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.828 -8.570 2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.385 -8.414 3.594 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.395 -7.509 2.416 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.791 -13.163 5.106 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.215 -13.109 4.737 1.00 0.00 C ATOM 1181 C ASP A 75 -4.651 -11.688 4.361 1.00 0.00 C ATOM 1182 O ASP A 75 -4.343 -10.719 5.062 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.077 -13.624 5.896 1.00 0.00 C ATOM 1184 CG ASP A 75 -6.569 -13.814 5.548 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -7.292 -12.808 5.339 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -7.028 -14.982 5.556 1.00 0.00 O ATOM 0 H ASP A 75 -2.640 -13.189 6.114 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.354 -13.745 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.672 -14.577 6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.997 -12.926 6.730 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.370 -11.558 3.253 1.00 0.00 N ATOM 1192 CA GLY A 76 -5.782 -10.271 2.705 1.00 0.00 C ATOM 1193 C GLY A 76 -6.505 -10.401 1.372 1.00 0.00 C ATOM 1194 O GLY A 76 -6.997 -11.469 1.009 1.00 0.00 O ATOM 0 H GLY A 76 -5.688 -12.355 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.435 -9.769 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.904 -9.638 2.577 1.00 0.00 H new ATOM 1198 N THR A 77 -6.541 -9.300 0.631 1.00 0.00 N ATOM 1199 CA THR A 77 -7.046 -9.216 -0.748 1.00 0.00 C ATOM 1200 C THR A 77 -5.868 -9.118 -1.700 1.00 0.00 C ATOM 1201 O THR A 77 -4.770 -8.714 -1.312 1.00 0.00 O ATOM 1202 CB THR A 77 -7.977 -7.994 -0.890 1.00 0.00 C ATOM 1203 OG1 THR A 77 -8.996 -8.077 0.081 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.710 -7.853 -2.224 1.00 0.00 C ATOM 0 H THR A 77 -6.208 -8.402 0.982 1.00 0.00 H new ATOM 0 HA THR A 77 -7.622 -10.109 -0.992 1.00 0.00 H new ATOM 0 HB THR A 77 -7.305 -7.142 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.494 -7.233 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.333 -6.959 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.983 -7.771 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.338 -8.729 -2.388 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.084 -9.492 -2.955 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.026 -9.580 -3.953 1.00 0.00 C ATOM 1214 C ILE A 78 -5.454 -8.886 -5.248 1.00 0.00 C ATOM 1215 O ILE A 78 -6.609 -8.975 -5.673 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.620 -11.061 -4.093 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.274 -11.185 -4.812 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.695 -11.927 -4.764 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.569 -12.509 -4.563 1.00 0.00 C ATOM 0 H ILE A 78 -7.006 -9.745 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.129 -9.041 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.515 -11.452 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.432 -11.063 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.624 -10.371 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.344 -12.957 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.610 -11.893 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.895 -11.547 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.623 -12.525 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.379 -12.625 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.199 -13.328 -4.910 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.530 -8.111 -5.824 1.00 0.00 N ATOM 1232 CA GLY A 79 -4.804 -7.222 -6.961 1.00 0.00 C ATOM 1233 C GLY A 79 -4.933 -7.958 -8.295 1.00 0.00 C ATOM 1234 O GLY A 79 -4.957 -9.189 -8.349 1.00 0.00 O ATOM 0 H GLY A 79 -3.559 -8.082 -5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.725 -6.672 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.004 -6.486 -7.037 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.018 -7.210 -9.394 1.00 0.00 N ATOM 1239 CA ASP A 80 -4.895 -7.793 -10.724 1.00 0.00 C ATOM 1240 C ASP A 80 -3.500 -8.380 -10.949 1.00 0.00 C ATOM 1241 O ASP A 80 -2.475 -7.766 -10.639 1.00 0.00 O ATOM 1242 CB ASP A 80 -5.245 -6.808 -11.844 1.00 0.00 C ATOM 1243 CG ASP A 80 -4.589 -5.417 -11.702 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -4.912 -4.692 -10.728 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -3.789 -5.033 -12.587 1.00 0.00 O ATOM 0 H ASP A 80 -5.171 -6.202 -9.387 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.627 -8.599 -10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.945 -7.241 -12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.327 -6.684 -11.876 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.485 -9.581 -11.530 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.278 -10.273 -11.930 1.00 0.00 C ATOM 1252 C ALA A 81 -1.451 -9.429 -12.927 1.00 0.00 C ATOM 1253 O ALA A 81 -1.993 -8.851 -13.875 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.720 -11.587 -12.569 1.00 0.00 C ATOM 0 H ALA A 81 -4.336 -10.104 -11.736 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.634 -10.452 -11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.843 -12.149 -12.889 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.282 -12.174 -11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.352 -11.377 -13.432 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.135 -9.405 -12.744 1.00 0.00 N ATOM 1261 CA LEU A 82 0.830 -8.751 -13.632 1.00 0.00 C ATOM 1262 C LEU A 82 1.440 -9.721 -14.677 1.00 0.00 C ATOM 1263 O LEU A 82 2.215 -9.299 -15.533 1.00 0.00 O ATOM 1264 CB LEU A 82 1.915 -8.098 -12.767 1.00 0.00 C ATOM 1265 CG LEU A 82 1.545 -6.913 -11.871 1.00 0.00 C ATOM 1266 CD1 LEU A 82 2.728 -6.567 -10.957 1.00 0.00 C ATOM 1267 CD2 LEU A 82 1.278 -5.747 -12.780 1.00 0.00 C ATOM 0 H LEU A 82 0.309 -9.856 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 82 0.310 -7.991 -14.215 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.335 -8.874 -12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.712 -7.769 -13.434 1.00 0.00 H new ATOM 0 HG LEU A 82 0.678 -7.149 -11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.461 -5.723 -10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.971 -7.428 -10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.593 -6.303 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.009 -4.875 -12.184 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.173 -5.527 -13.362 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.458 -5.992 -13.455 1.00 0.00 H new ATOM 1279 N VAL A 83 1.084 -11.015 -14.619 1.00 0.00 N ATOM 1280 CA VAL A 83 1.696 -12.142 -15.358 1.00 0.00 C ATOM 1281 C VAL A 83 0.655 -13.192 -15.767 1.00 0.00 C ATOM 1282 O VAL A 83 -0.407 -13.324 -15.153 1.00 0.00 O ATOM 1283 CB VAL A 83 2.805 -12.812 -14.515 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.892 -11.823 -14.101 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.278 -13.486 -13.236 1.00 0.00 C ATOM 0 H VAL A 83 0.317 -11.325 -14.022 1.00 0.00 H new ATOM 0 HA VAL A 83 2.133 -11.726 -16.266 1.00 0.00 H new ATOM 0 HB VAL A 83 3.218 -13.575 -15.175 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.649 -12.340 -13.511 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.355 -11.397 -14.991 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.450 -11.025 -13.505 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.109 -13.936 -12.693 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.793 -12.741 -12.605 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.558 -14.260 -13.503 1.00 0.00 H new ATOM 1295 N ASN A 84 0.977 -13.981 -16.787 1.00 0.00 N ATOM 1296 CA ASN A 84 0.167 -15.034 -17.373 1.00 0.00 C ATOM 1297 C ASN A 84 1.034 -16.270 -17.620 1.00 0.00 C ATOM 1298 O ASN A 84 2.259 -16.193 -17.630 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.380 -14.571 -18.733 1.00 0.00 C ATOM 1300 CG ASN A 84 -0.907 -13.151 -18.786 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.085 -12.894 -18.584 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.064 -12.196 -19.086 1.00 0.00 N ATOM 0 H ASN A 84 1.878 -13.891 -17.257 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.650 -15.266 -16.690 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.412 -14.672 -19.475 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.182 -15.247 -19.029 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.389 -11.231 -19.152 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.918 -12.416 -19.253 1.00 0.00 H new ATOM 1309 N ILE A 85 0.392 -17.399 -17.893 1.00 0.00 N ATOM 1310 CA ILE A 85 1.006 -18.682 -18.231 1.00 0.00 C ATOM 1311 C ILE A 85 1.932 -18.509 -19.443 1.00 0.00 C ATOM 1312 O ILE A 85 1.474 -18.350 -20.577 1.00 0.00 O ATOM 1313 CB ILE A 85 -0.114 -19.698 -18.497 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.990 -20.031 -17.259 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.457 -21.037 -19.005 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.840 -18.898 -16.664 1.00 0.00 C ATOM 0 H ILE A 85 -0.627 -17.449 -17.885 1.00 0.00 H new ATOM 0 HA ILE A 85 1.620 -19.051 -17.409 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.738 -19.207 -19.244 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.660 -20.846 -17.531 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.334 -20.406 -16.474 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.360 -21.736 -19.184 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.003 -20.871 -19.934 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.132 -21.452 -18.257 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.398 -19.274 -15.807 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.189 -18.084 -16.345 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.536 -18.531 -17.418 1.00 0.00 H new ATOM 1328 N GLY A 86 3.239 -18.500 -19.185 1.00 0.00 N ATOM 1329 CA GLY A 86 4.301 -18.384 -20.184 1.00 0.00 C ATOM 1330 C GLY A 86 5.149 -17.122 -20.023 1.00 0.00 C ATOM 1331 O GLY A 86 6.188 -17.010 -20.675 1.00 0.00 O ATOM 0 H GLY A 86 3.602 -18.576 -18.235 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.948 -19.259 -20.119 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.856 -18.390 -21.179 1.00 0.00 H new ATOM 1335 N ASP A 87 4.743 -16.178 -19.167 1.00 0.00 N ATOM 1336 CA ASP A 87 5.525 -14.963 -18.918 1.00 0.00 C ATOM 1337 C ASP A 87 6.839 -15.273 -18.189 1.00 0.00 C ATOM 1338 O ASP A 87 6.832 -15.836 -17.095 1.00 0.00 O ATOM 1339 CB ASP A 87 4.706 -13.955 -18.098 1.00 0.00 C ATOM 1340 CG ASP A 87 3.890 -12.996 -18.977 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.486 -12.269 -19.808 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.649 -12.932 -18.813 1.00 0.00 O ATOM 0 H ASP A 87 3.875 -16.233 -18.634 1.00 0.00 H new ATOM 0 HA ASP A 87 5.768 -14.530 -19.888 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.031 -14.496 -17.435 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.379 -13.377 -17.465 1.00 0.00 H new ATOM 1347 N TYR A 88 7.964 -14.882 -18.782 1.00 0.00 N ATOM 1348 CA TYR A 88 9.264 -14.875 -18.118 1.00 0.00 C ATOM 1349 C TYR A 88 9.278 -13.859 -16.968 1.00 0.00 C ATOM 1350 O TYR A 88 8.814 -12.724 -17.125 1.00 0.00 O ATOM 1351 CB TYR A 88 10.364 -14.587 -19.142 1.00 0.00 C ATOM 1352 CG TYR A 88 11.714 -14.488 -18.464 1.00 0.00 C ATOM 1353 CD1 TYR A 88 12.309 -15.658 -17.966 1.00 0.00 C ATOM 1354 CD2 TYR A 88 12.276 -13.232 -18.160 1.00 0.00 C ATOM 1355 CE1 TYR A 88 13.432 -15.582 -17.136 1.00 0.00 C ATOM 1356 CE2 TYR A 88 13.428 -13.150 -17.356 1.00 0.00 C ATOM 1357 CZ TYR A 88 14.008 -14.328 -16.832 1.00 0.00 C ATOM 1358 OH TYR A 88 15.108 -14.242 -16.033 1.00 0.00 O ATOM 0 H TYR A 88 7.999 -14.557 -19.748 1.00 0.00 H new ATOM 0 HA TYR A 88 9.453 -15.856 -17.683 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.385 -15.378 -19.892 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.145 -13.656 -19.666 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.897 -16.622 -18.225 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.822 -12.331 -18.545 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.860 -16.485 -16.726 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.869 -12.188 -17.139 1.00 0.00 H new ATOM 0 HH TYR A 88 15.367 -13.302 -15.933 1.00 0.00 H new ATOM 1368 N VAL A 89 9.831 -14.272 -15.824 1.00 0.00 N ATOM 1369 CA VAL A 89 9.964 -13.485 -14.591 1.00 0.00 C ATOM 1370 C VAL A 89 11.305 -13.730 -13.902 1.00 0.00 C ATOM 1371 O VAL A 89 11.964 -14.760 -14.078 1.00 0.00 O ATOM 1372 CB VAL A 89 8.822 -13.742 -13.585 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.459 -13.363 -14.154 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.739 -15.198 -13.100 1.00 0.00 C ATOM 0 H VAL A 89 10.218 -15.211 -15.726 1.00 0.00 H new ATOM 0 HA VAL A 89 9.907 -12.444 -14.909 1.00 0.00 H new ATOM 0 HB VAL A 89 9.071 -13.105 -12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.687 -13.561 -13.411 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.453 -12.303 -14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.261 -13.953 -15.049 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.913 -15.301 -12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.573 -15.857 -13.953 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.672 -15.471 -12.607 1.00 0.00 H new ATOM 1384 N SER A 90 11.678 -12.792 -13.043 1.00 0.00 N ATOM 1385 CA SER A 90 12.915 -12.785 -12.263 1.00 0.00 C ATOM 1386 C SER A 90 12.601 -12.460 -10.798 1.00 0.00 C ATOM 1387 O SER A 90 11.624 -11.768 -10.495 1.00 0.00 O ATOM 1388 CB SER A 90 13.845 -11.772 -12.905 1.00 0.00 C ATOM 1389 OG SER A 90 14.990 -11.572 -12.102 1.00 0.00 O ATOM 0 H SER A 90 11.099 -11.972 -12.859 1.00 0.00 H new ATOM 0 HA SER A 90 13.403 -13.760 -12.262 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.144 -12.120 -13.894 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.322 -10.826 -13.044 1.00 0.00 H new ATOM 0 HG SER A 90 14.987 -10.657 -11.751 1.00 0.00 H new ATOM 1395 N ALA A 91 13.426 -12.966 -9.878 1.00 0.00 N ATOM 1396 CA ALA A 91 13.128 -13.018 -8.444 1.00 0.00 C ATOM 1397 C ALA A 91 12.890 -11.728 -7.670 1.00 0.00 C ATOM 1398 O ALA A 91 12.264 -11.767 -6.608 1.00 0.00 O ATOM 1399 CB ALA A 91 14.145 -13.929 -7.763 1.00 0.00 C ATOM 0 H ALA A 91 14.338 -13.359 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 91 12.116 -13.423 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.934 -13.976 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.080 -14.930 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.149 -13.533 -7.917 1.00 0.00 H new ATOM 1405 N SER A 92 13.329 -10.599 -8.202 1.00 0.00 N ATOM 1406 CA SER A 92 12.876 -9.307 -7.693 1.00 0.00 C ATOM 1407 C SER A 92 12.485 -8.315 -8.801 1.00 0.00 C ATOM 1408 O SER A 92 12.014 -7.211 -8.514 1.00 0.00 O ATOM 1409 CB SER A 92 13.920 -8.704 -6.745 1.00 0.00 C ATOM 1410 OG SER A 92 15.144 -8.476 -7.430 1.00 0.00 O ATOM 0 H SER A 92 13.990 -10.546 -8.977 1.00 0.00 H new ATOM 0 HA SER A 92 11.961 -9.498 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.547 -7.766 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.087 -9.377 -5.904 1.00 0.00 H new ATOM 0 HG SER A 92 15.798 -8.090 -6.811 1.00 0.00 H new ATOM 1416 N THR A 93 12.665 -8.714 -10.061 1.00 0.00 N ATOM 1417 CA THR A 93 12.669 -7.778 -11.214 1.00 0.00 C ATOM 1418 C THR A 93 11.377 -7.602 -12.025 1.00 0.00 C ATOM 1419 O THR A 93 11.259 -6.624 -12.763 1.00 0.00 O ATOM 1420 CB THR A 93 13.790 -8.155 -12.206 1.00 0.00 C ATOM 1421 OG1 THR A 93 14.876 -8.820 -11.582 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.384 -6.952 -12.922 1.00 0.00 C ATOM 0 H THR A 93 12.813 -9.689 -10.323 1.00 0.00 H new ATOM 0 HA THR A 93 12.818 -6.820 -10.717 1.00 0.00 H new ATOM 0 HB THR A 93 13.290 -8.813 -12.917 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.603 -8.938 -12.229 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.166 -7.284 -13.605 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.603 -6.442 -13.486 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.809 -6.266 -12.189 1.00 0.00 H new ATOM 1430 N THR A 94 10.388 -8.491 -11.899 1.00 0.00 N ATOM 1431 CA THR A 94 9.271 -8.570 -12.874 1.00 0.00 C ATOM 1432 C THR A 94 7.881 -8.358 -12.300 1.00 0.00 C ATOM 1433 O THR A 94 7.034 -7.770 -12.971 1.00 0.00 O ATOM 1434 CB THR A 94 9.313 -9.897 -13.638 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.626 -10.208 -14.055 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.411 -9.853 -14.869 1.00 0.00 C ATOM 0 H THR A 94 10.328 -9.168 -11.138 1.00 0.00 H new ATOM 0 HA THR A 94 9.441 -7.727 -13.544 1.00 0.00 H new ATOM 0 HB THR A 94 8.958 -10.666 -12.951 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.650 -10.280 -15.032 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.461 -10.808 -15.391 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.383 -9.662 -14.560 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.744 -9.057 -15.536 1.00 0.00 H new ATOM 1444 N GLU A 95 7.722 -8.686 -11.016 1.00 0.00 N ATOM 1445 CA GLU A 95 6.553 -8.435 -10.181 1.00 0.00 C ATOM 1446 C GLU A 95 5.261 -9.125 -10.681 1.00 0.00 C ATOM 1447 O GLU A 95 4.847 -9.024 -11.835 1.00 0.00 O ATOM 1448 CB GLU A 95 6.393 -6.920 -9.967 1.00 0.00 C ATOM 1449 CG GLU A 95 7.685 -6.093 -10.011 1.00 0.00 C ATOM 1450 CD GLU A 95 7.534 -4.676 -9.425 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.768 -3.858 -9.987 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.208 -4.370 -8.409 1.00 0.00 O ATOM 0 H GLU A 95 8.459 -9.167 -10.500 1.00 0.00 H new ATOM 0 HA GLU A 95 6.729 -8.904 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.713 -6.536 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.915 -6.758 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.464 -6.622 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.021 -6.015 -11.045 1.00 0.00 H new ATOM 1459 N LEU A 96 4.641 -9.891 -9.780 1.00 0.00 N ATOM 1460 CA LEU A 96 3.561 -10.840 -10.142 1.00 0.00 C ATOM 1461 C LEU A 96 2.127 -10.362 -9.898 1.00 0.00 C ATOM 1462 O LEU A 96 1.235 -10.717 -10.666 1.00 0.00 O ATOM 1463 CB LEU A 96 3.746 -12.162 -9.399 1.00 0.00 C ATOM 1464 CG LEU A 96 5.177 -12.728 -9.405 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.317 -13.751 -8.296 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.540 -13.346 -10.751 1.00 0.00 C ATOM 0 H LEU A 96 4.864 -9.879 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 96 3.667 -10.946 -11.222 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.432 -12.025 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.079 -12.903 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 96 5.870 -11.904 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.330 -14.154 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.117 -13.276 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.605 -14.560 -8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.558 -13.733 -10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.851 -14.160 -10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.471 -12.587 -11.530 1.00 0.00 H new ATOM 1478 N VAL A 97 1.911 -9.593 -8.831 1.00 0.00 N ATOM 1479 CA VAL A 97 0.630 -9.025 -8.348 1.00 0.00 C ATOM 1480 C VAL A 97 0.882 -8.262 -7.034 1.00 0.00 C ATOM 1481 O VAL A 97 1.977 -8.373 -6.490 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.481 -10.087 -8.213 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.149 -11.222 -7.266 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.807 -9.521 -7.725 1.00 0.00 C ATOM 0 H VAL A 97 2.685 -9.323 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 97 0.256 -8.325 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.562 -10.457 -9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.983 -11.922 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.744 -11.739 -7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.032 -10.822 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.541 -10.324 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.670 -9.067 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.161 -8.767 -8.428 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.094 -7.527 -6.476 1.00 0.00 N ATOM 1495 CA ARG A 98 -0.010 -6.985 -5.106 1.00 0.00 C ATOM 1496 C ARG A 98 -0.854 -7.735 -4.064 1.00 0.00 C ATOM 1497 O ARG A 98 -1.945 -8.174 -4.414 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.281 -5.475 -5.093 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.750 -5.074 -5.232 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.051 -4.046 -4.142 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.444 -3.570 -4.169 1.00 0.00 N ATOM 1502 CZ ARG A 98 -3.975 -2.697 -3.329 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -3.315 -2.209 -2.319 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -5.203 -2.294 -3.488 1.00 0.00 N ATOM 0 H ARG A 98 -0.961 -7.291 -6.958 1.00 0.00 H new ATOM 0 HA ARG A 98 1.019 -7.154 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.105 -5.061 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.283 -5.014 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.941 -4.653 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.397 -5.945 -5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.842 -4.487 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.380 -3.195 -4.258 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.051 -3.945 -4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.351 -2.498 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.762 -1.537 -1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.761 -2.652 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.607 -1.621 -2.837 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.422 -7.828 -2.794 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.205 -8.465 -1.715 1.00 0.00 C ATOM 1520 C VAL A 99 -1.417 -7.439 -0.600 1.00 0.00 C ATOM 1521 O VAL A 99 -0.482 -6.733 -0.219 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.518 -9.743 -1.167 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.527 -10.645 -0.453 1.00 0.00 C ATOM 1524 CG2 VAL A 99 0.116 -10.591 -2.279 1.00 0.00 C ATOM 0 H VAL A 99 0.479 -7.464 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.165 -8.785 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 99 0.253 -9.388 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.019 -11.534 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.973 -10.103 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.309 -10.941 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.583 -11.473 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.655 -10.900 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.870 -10.002 -2.801 1.00 0.00 H new ATOM 1534 N THR A 100 -2.645 -7.304 -0.110 1.00 0.00 N ATOM 1535 CA THR A 100 -3.008 -6.252 0.848 1.00 0.00 C ATOM 1536 C THR A 100 -3.979 -6.722 1.926 1.00 0.00 C ATOM 1537 O THR A 100 -5.071 -7.207 1.645 1.00 0.00 O ATOM 1538 CB THR A 100 -3.477 -4.986 0.104 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.492 -3.927 1.039 1.00 0.00 O ATOM 1540 CG2 THR A 100 -4.877 -5.087 -0.505 1.00 0.00 C ATOM 0 H THR A 100 -3.420 -7.918 -0.362 1.00 0.00 H new ATOM 0 HA THR A 100 -2.108 -5.988 1.403 1.00 0.00 H new ATOM 0 HB THR A 100 -2.787 -4.833 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.785 -3.104 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.123 -4.152 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.902 -5.904 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.604 -5.277 0.284 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.578 -6.612 3.191 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.379 -7.048 4.337 1.00 0.00 C ATOM 1550 C ASN A 101 -5.629 -6.169 4.584 1.00 0.00 C ATOM 1551 O ASN A 101 -6.525 -6.596 5.313 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.435 -7.101 5.548 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.110 -7.437 6.872 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -4.207 -6.626 7.779 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -4.552 -8.663 7.053 1.00 0.00 N ATOM 0 H ASN A 101 -2.677 -6.213 3.454 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.799 -8.035 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.659 -7.842 5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.937 -6.136 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.971 -8.928 7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.476 -9.349 6.302 1.00 0.00 H new