USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 878 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 91 THR OG1 : rot -95:sc= 0.887 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.178 K(o=1.1,f=0.28) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.925 X(o=-0.87,f=-0.7) USER MOD Set 2.2: A 109 SER OG : rot 88:sc= 0.0505 USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0.562 USER MOD Set 3.2: A 49 TYR OH : rot -34:sc= 0.633 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 5 SER OG : rot -37:sc= 0.54 USER MOD Single : A 6 SER OG : rot -49:sc= 0.651 USER MOD Single : A 10 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= 1.3 K(o=1.3,f=-0.56) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 43 SER OG : rot 180:sc= 0.17 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.294 F(o=-1.8,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 52 SER OG : rot -100:sc= -0.139 USER MOD Single : A 61 HIS : no HD1:sc= -0.0837 X(o=-0.084,f=-0.017) USER MOD Single : A 65 GLN : amide:sc= -0.913! C(o=-0.91!,f=-3.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.41) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.17 K(o=1.2,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0.938 (180deg=0.663) USER MOD Single : A 98 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0602) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=-0.26) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.162 17.367 -8.880 1.00 0.00 N ATOM 2 CA GLY A 1 -16.557 16.240 -9.601 1.00 0.00 C ATOM 3 C GLY A 1 -15.227 15.859 -8.986 1.00 0.00 C ATOM 4 O GLY A 1 -14.380 16.729 -8.787 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.073 17.611 -9.319 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.317 17.101 -7.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.526 18.189 -8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.232 15.384 -9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.415 16.507 -10.648 1.00 0.00 H new ATOM 8 N SER A 2 -15.005 14.575 -8.706 1.00 0.00 N ATOM 9 CA SER A 2 -13.892 14.124 -7.872 1.00 0.00 C ATOM 10 C SER A 2 -13.241 12.930 -8.573 1.00 0.00 C ATOM 11 O SER A 2 -13.898 11.903 -8.740 1.00 0.00 O ATOM 12 CB SER A 2 -14.427 13.800 -6.461 1.00 0.00 C ATOM 13 OG SER A 2 -15.391 14.778 -6.077 1.00 0.00 O ATOM 0 H SER A 2 -15.593 13.817 -9.052 1.00 0.00 H new ATOM 0 HA SER A 2 -13.126 14.889 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.878 12.808 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.606 13.784 -5.745 1.00 0.00 H new ATOM 0 HG SER A 2 -15.730 14.569 -5.182 1.00 0.00 H new ATOM 19 N SER A 3 -12.024 13.085 -9.100 1.00 0.00 N ATOM 20 CA SER A 3 -11.311 12.026 -9.813 1.00 0.00 C ATOM 21 C SER A 3 -9.827 12.389 -9.991 1.00 0.00 C ATOM 22 O SER A 3 -9.340 13.369 -9.413 1.00 0.00 O ATOM 23 CB SER A 3 -11.991 11.762 -11.171 1.00 0.00 C ATOM 24 OG SER A 3 -11.691 10.470 -11.673 1.00 0.00 O ATOM 0 H SER A 3 -11.502 13.959 -9.042 1.00 0.00 H new ATOM 0 HA SER A 3 -11.353 11.111 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.070 11.867 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.668 12.514 -11.890 1.00 0.00 H new ATOM 0 HG SER A 3 -12.142 10.341 -12.534 1.00 0.00 H new ATOM 30 N GLY A 4 -9.107 11.604 -10.794 1.00 0.00 N ATOM 31 CA GLY A 4 -7.703 11.794 -11.099 1.00 0.00 C ATOM 32 C GLY A 4 -7.252 10.954 -12.292 1.00 0.00 C ATOM 33 O GLY A 4 -8.064 10.473 -13.092 1.00 0.00 O ATOM 0 H GLY A 4 -9.507 10.791 -11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.518 12.848 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.105 11.533 -10.226 1.00 0.00 H new ATOM 37 N SER A 5 -5.930 10.836 -12.426 1.00 0.00 N ATOM 38 CA SER A 5 -5.226 10.326 -13.595 1.00 0.00 C ATOM 39 C SER A 5 -4.161 9.286 -13.190 1.00 0.00 C ATOM 40 O SER A 5 -3.157 9.142 -13.883 1.00 0.00 O ATOM 41 CB SER A 5 -4.682 11.553 -14.358 1.00 0.00 C ATOM 42 OG SER A 5 -3.955 11.236 -15.534 1.00 0.00 O ATOM 0 H SER A 5 -5.291 11.109 -11.680 1.00 0.00 H new ATOM 0 HA SER A 5 -5.883 9.773 -14.266 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.518 12.199 -14.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.038 12.125 -13.690 1.00 0.00 H new ATOM 0 HG SER A 5 -3.432 10.421 -15.386 1.00 0.00 H new ATOM 48 N SER A 6 -4.351 8.542 -12.090 1.00 0.00 N ATOM 49 CA SER A 6 -3.380 7.537 -11.637 1.00 0.00 C ATOM 50 C SER A 6 -2.000 8.193 -11.409 1.00 0.00 C ATOM 51 O SER A 6 -0.968 7.658 -11.833 1.00 0.00 O ATOM 52 CB SER A 6 -3.382 6.346 -12.622 1.00 0.00 C ATOM 53 OG SER A 6 -2.390 5.388 -12.290 1.00 0.00 O ATOM 0 H SER A 6 -5.175 8.619 -11.494 1.00 0.00 H new ATOM 0 HA SER A 6 -3.661 7.126 -10.667 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.363 5.871 -12.616 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.211 6.711 -13.635 1.00 0.00 H new ATOM 0 HG SER A 6 -1.533 5.841 -12.147 1.00 0.00 H new ATOM 59 N GLY A 7 -1.981 9.378 -10.796 1.00 0.00 N ATOM 60 CA GLY A 7 -0.802 10.211 -10.637 1.00 0.00 C ATOM 61 C GLY A 7 -1.023 11.145 -9.465 1.00 0.00 C ATOM 62 O GLY A 7 -1.328 12.322 -9.661 1.00 0.00 O ATOM 0 H GLY A 7 -2.818 9.792 -10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.078 9.591 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.618 10.783 -11.547 1.00 0.00 H new ATOM 66 N GLU A 8 -0.919 10.613 -8.250 1.00 0.00 N ATOM 67 CA GLU A 8 -1.224 11.317 -7.002 1.00 0.00 C ATOM 68 C GLU A 8 -0.088 11.122 -5.988 1.00 0.00 C ATOM 69 O GLU A 8 -0.290 11.233 -4.783 1.00 0.00 O ATOM 70 CB GLU A 8 -2.615 10.886 -6.498 1.00 0.00 C ATOM 71 CG GLU A 8 -3.734 11.453 -7.402 1.00 0.00 C ATOM 72 CD GLU A 8 -5.125 10.878 -7.124 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.297 10.112 -6.157 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.049 11.154 -7.930 1.00 0.00 O ATOM 0 H GLU A 8 -0.611 9.652 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.279 12.393 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.677 9.798 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.758 11.234 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.770 12.535 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.476 11.260 -8.443 1.00 0.00 H new ATOM 81 N VAL A 9 1.115 10.806 -6.470 1.00 0.00 N ATOM 82 CA VAL A 9 2.311 10.528 -5.703 1.00 0.00 C ATOM 83 C VAL A 9 2.599 11.709 -4.790 1.00 0.00 C ATOM 84 O VAL A 9 2.892 11.503 -3.624 1.00 0.00 O ATOM 85 CB VAL A 9 3.492 10.278 -6.670 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.727 9.754 -5.930 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.132 9.320 -7.819 1.00 0.00 C ATOM 0 H VAL A 9 1.281 10.735 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 9 2.171 9.637 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 9 3.724 11.249 -7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.536 9.590 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.042 10.485 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.483 8.814 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.000 9.183 -8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.830 8.357 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.311 9.741 -8.400 1.00 0.00 H new ATOM 97 N GLN A 10 2.567 12.934 -5.326 1.00 0.00 N ATOM 98 CA GLN A 10 3.042 14.109 -4.610 1.00 0.00 C ATOM 99 C GLN A 10 2.038 14.577 -3.550 1.00 0.00 C ATOM 100 O GLN A 10 2.389 15.413 -2.710 1.00 0.00 O ATOM 101 CB GLN A 10 3.274 15.272 -5.591 1.00 0.00 C ATOM 102 CG GLN A 10 4.084 14.938 -6.846 1.00 0.00 C ATOM 103 CD GLN A 10 5.477 14.418 -6.529 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.307 15.137 -5.986 1.00 0.00 O ATOM 105 NE2 GLN A 10 5.786 13.179 -6.877 1.00 0.00 N ATOM 0 H GLN A 10 2.213 13.132 -6.262 1.00 0.00 H new ATOM 0 HA GLN A 10 3.973 13.825 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.303 15.659 -5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.782 16.076 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.547 14.191 -7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.167 15.830 -7.467 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.089 12.587 -7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.721 12.816 -6.693 1.00 0.00 H new ATOM 114 N LYS A 11 0.777 14.142 -3.652 1.00 0.00 N ATOM 115 CA LYS A 11 -0.292 14.531 -2.741 1.00 0.00 C ATOM 116 C LYS A 11 -0.021 13.951 -1.351 1.00 0.00 C ATOM 117 O LYS A 11 0.755 13.003 -1.211 1.00 0.00 O ATOM 118 CB LYS A 11 -1.644 14.045 -3.296 1.00 0.00 C ATOM 119 CG LYS A 11 -2.100 14.889 -4.491 1.00 0.00 C ATOM 120 CD LYS A 11 -3.573 14.627 -4.836 1.00 0.00 C ATOM 121 CE LYS A 11 -4.043 15.482 -6.022 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.186 16.912 -5.671 1.00 0.00 N ATOM 0 H LYS A 11 0.471 13.500 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.329 15.617 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.560 13.001 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.398 14.089 -2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.961 15.946 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.477 14.663 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.708 13.572 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.193 14.841 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.331 15.382 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.999 15.103 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.505 17.444 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.885 17.014 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.269 17.285 -5.353 1.00 0.00 H new ATOM 136 N PRO A 12 -0.685 14.470 -0.304 1.00 0.00 N ATOM 137 CA PRO A 12 -0.583 13.875 1.013 1.00 0.00 C ATOM 138 C PRO A 12 -1.158 12.467 0.978 1.00 0.00 C ATOM 139 O PRO A 12 -1.925 12.084 0.091 1.00 0.00 O ATOM 140 CB PRO A 12 -1.389 14.769 1.958 1.00 0.00 C ATOM 141 CG PRO A 12 -2.406 15.392 1.020 1.00 0.00 C ATOM 142 CD PRO A 12 -1.632 15.574 -0.282 1.00 0.00 C ATOM 0 HA PRO A 12 0.452 13.801 1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.866 14.196 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.764 15.521 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.273 14.746 0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.774 16.344 1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.296 15.543 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.120 16.536 -0.308 1.00 0.00 H new ATOM 150 N LEU A 13 -0.843 11.712 2.021 1.00 0.00 N ATOM 151 CA LEU A 13 -1.422 10.407 2.267 1.00 0.00 C ATOM 152 C LEU A 13 -2.937 10.501 2.417 1.00 0.00 C ATOM 153 O LEU A 13 -3.635 9.592 1.975 1.00 0.00 O ATOM 154 CB LEU A 13 -0.707 9.844 3.494 1.00 0.00 C ATOM 155 CG LEU A 13 -1.038 8.388 3.852 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.157 7.779 4.585 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.228 8.274 4.797 1.00 0.00 C ATOM 0 H LEU A 13 -0.167 11.997 2.729 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.278 9.726 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.368 9.923 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.948 10.473 4.351 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.271 7.876 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.065 6.744 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.035 7.811 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.355 8.347 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.418 7.224 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.009 8.805 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.109 8.712 4.327 1.00 0.00 H new ATOM 169 N HIS A 14 -3.462 11.601 2.973 1.00 0.00 N ATOM 170 CA HIS A 14 -4.895 11.672 3.248 1.00 0.00 C ATOM 171 C HIS A 14 -5.765 11.869 1.989 1.00 0.00 C ATOM 172 O HIS A 14 -6.986 11.926 2.105 1.00 0.00 O ATOM 173 CB HIS A 14 -5.200 12.735 4.319 1.00 0.00 C ATOM 174 CG HIS A 14 -5.355 14.147 3.803 1.00 0.00 C ATOM 175 ND1 HIS A 14 -6.451 14.633 3.128 1.00 0.00 N ATOM 176 CD2 HIS A 14 -4.468 15.179 3.932 1.00 0.00 C ATOM 177 CE1 HIS A 14 -6.225 15.918 2.827 1.00 0.00 C ATOM 178 NE2 HIS A 14 -5.041 16.311 3.337 1.00 0.00 N ATOM 0 H HIS A 14 -2.929 12.431 3.234 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.173 10.694 3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.117 12.452 4.837 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.399 12.722 5.058 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -7.292 14.105 2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.499 15.131 4.407 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.894 16.547 2.259 1.00 0.00 H new ATOM 186 N GLU A 15 -5.169 12.038 0.802 1.00 0.00 N ATOM 187 CA GLU A 15 -5.887 12.284 -0.457 1.00 0.00 C ATOM 188 C GLU A 15 -5.847 11.059 -1.374 1.00 0.00 C ATOM 189 O GLU A 15 -6.303 11.130 -2.516 1.00 0.00 O ATOM 190 CB GLU A 15 -5.237 13.469 -1.187 1.00 0.00 C ATOM 191 CG GLU A 15 -5.406 14.813 -0.482 1.00 0.00 C ATOM 192 CD GLU A 15 -6.744 15.493 -0.733 1.00 0.00 C ATOM 193 OE1 GLU A 15 -7.746 15.058 -0.123 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.766 16.512 -1.473 1.00 0.00 O ATOM 0 H GLU A 15 -4.156 12.007 0.687 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.927 12.502 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.173 13.267 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.663 13.541 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.284 14.664 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.607 15.481 -0.804 1.00 0.00 H new ATOM 201 N GLN A 16 -5.209 9.970 -0.940 1.00 0.00 N ATOM 202 CA GLN A 16 -4.941 8.823 -1.790 1.00 0.00 C ATOM 203 C GLN A 16 -6.215 8.013 -2.044 1.00 0.00 C ATOM 204 O GLN A 16 -7.276 8.252 -1.468 1.00 0.00 O ATOM 205 CB GLN A 16 -3.829 7.972 -1.155 1.00 0.00 C ATOM 206 CG GLN A 16 -2.517 8.752 -0.975 1.00 0.00 C ATOM 207 CD GLN A 16 -1.895 9.223 -2.285 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.925 8.521 -3.293 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.285 10.395 -2.286 1.00 0.00 N ATOM 0 H GLN A 16 -4.865 9.865 0.015 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.597 9.166 -2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.166 7.606 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.645 7.098 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.705 9.618 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.800 8.122 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.271 10.963 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.828 10.731 -3.134 1.00 0.00 H new ATOM 218 N LEU A 17 -6.091 7.038 -2.940 1.00 0.00 N ATOM 219 CA LEU A 17 -7.154 6.137 -3.354 1.00 0.00 C ATOM 220 C LEU A 17 -7.039 4.858 -2.548 1.00 0.00 C ATOM 221 O LEU A 17 -7.940 4.537 -1.786 1.00 0.00 O ATOM 222 CB LEU A 17 -7.153 5.887 -4.875 1.00 0.00 C ATOM 223 CG LEU A 17 -5.802 5.670 -5.592 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.037 4.905 -6.897 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.053 6.958 -5.945 1.00 0.00 C ATOM 0 H LEU A 17 -5.209 6.849 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.120 6.599 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.773 5.011 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.646 6.736 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.185 5.118 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.085 4.751 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.491 3.939 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.703 5.480 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.117 6.709 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.668 7.566 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.840 7.517 -5.034 1.00 0.00 H new ATOM 237 N TRP A 18 -5.904 4.174 -2.675 1.00 0.00 N ATOM 238 CA TRP A 18 -5.589 2.933 -1.987 1.00 0.00 C ATOM 239 C TRP A 18 -5.536 3.103 -0.473 1.00 0.00 C ATOM 240 O TRP A 18 -5.468 2.108 0.243 1.00 0.00 O ATOM 241 CB TRP A 18 -4.266 2.406 -2.557 1.00 0.00 C ATOM 242 CG TRP A 18 -3.181 3.432 -2.705 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.759 3.977 -3.870 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.386 4.067 -1.659 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.777 4.909 -3.616 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.506 4.999 -2.272 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.317 3.959 -0.255 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.606 5.775 -1.535 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.423 4.738 0.502 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.554 5.635 -0.137 1.00 0.00 C ATOM 0 H TRP A 18 -5.150 4.486 -3.287 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.384 2.207 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.903 1.607 -1.911 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.460 1.962 -3.534 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.135 3.720 -4.849 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.310 5.462 -4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.967 3.261 0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.044 6.477 -2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.406 4.645 1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.150 6.214 0.441 1.00 0.00 H new ATOM 261 N TYR A 19 -5.506 4.328 0.048 1.00 0.00 N ATOM 262 CA TYR A 19 -5.591 4.545 1.477 1.00 0.00 C ATOM 263 C TYR A 19 -7.050 4.350 1.892 1.00 0.00 C ATOM 264 O TYR A 19 -7.889 5.182 1.556 1.00 0.00 O ATOM 265 CB TYR A 19 -5.042 5.930 1.822 1.00 0.00 C ATOM 266 CG TYR A 19 -5.026 6.246 3.300 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.582 5.292 4.238 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.470 7.506 3.735 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.606 5.587 5.608 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.496 7.813 5.105 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.057 6.857 6.045 1.00 0.00 C ATOM 272 OH TYR A 19 -5.040 7.168 7.363 1.00 0.00 O ATOM 0 H TYR A 19 -5.423 5.181 -0.505 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.982 3.832 2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.026 6.011 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.640 6.683 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.222 4.331 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.793 8.241 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.282 4.849 6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.851 8.777 5.438 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.382 8.078 7.489 1.00 0.00 H new ATOM 282 N HIS A 20 -7.348 3.243 2.582 1.00 0.00 N ATOM 283 CA HIS A 20 -8.671 2.937 3.128 1.00 0.00 C ATOM 284 C HIS A 20 -8.790 3.283 4.633 1.00 0.00 C ATOM 285 O HIS A 20 -9.746 2.881 5.299 1.00 0.00 O ATOM 286 CB HIS A 20 -9.076 1.488 2.809 1.00 0.00 C ATOM 287 CG HIS A 20 -9.596 1.242 1.411 1.00 0.00 C ATOM 288 ND1 HIS A 20 -10.909 0.967 1.099 1.00 0.00 N ATOM 289 CD2 HIS A 20 -8.895 1.255 0.236 1.00 0.00 C ATOM 290 CE1 HIS A 20 -10.997 0.807 -0.230 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.790 0.968 -0.797 1.00 0.00 N ATOM 0 H HIS A 20 -6.657 2.519 2.780 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.390 3.587 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.211 0.845 2.973 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.842 1.180 3.521 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.680 0.897 1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.839 1.452 0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.907 0.581 -0.766 1.00 0.00 H new ATOM 299 N GLY A 21 -7.832 4.009 5.214 1.00 0.00 N ATOM 300 CA GLY A 21 -7.935 4.591 6.540 1.00 0.00 C ATOM 301 C GLY A 21 -7.644 3.525 7.579 1.00 0.00 C ATOM 302 O GLY A 21 -6.488 3.198 7.810 1.00 0.00 O ATOM 0 H GLY A 21 -6.942 4.209 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.231 5.417 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.933 5.002 6.693 1.00 0.00 H new ATOM 306 N ALA A 22 -8.684 2.970 8.185 1.00 0.00 N ATOM 307 CA ALA A 22 -8.751 1.905 9.163 1.00 0.00 C ATOM 308 C ALA A 22 -9.884 0.969 8.738 1.00 0.00 C ATOM 309 O ALA A 22 -11.010 1.424 8.525 1.00 0.00 O ATOM 310 CB ALA A 22 -9.044 2.523 10.531 1.00 0.00 C ATOM 0 H ALA A 22 -9.623 3.305 7.969 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.816 1.348 9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.098 1.735 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.248 3.220 10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.995 3.055 10.494 1.00 0.00 H new ATOM 316 N ILE A 23 -9.578 -0.314 8.547 1.00 0.00 N ATOM 317 CA ILE A 23 -10.484 -1.362 8.077 1.00 0.00 C ATOM 318 C ILE A 23 -10.004 -2.667 8.748 1.00 0.00 C ATOM 319 O ILE A 23 -8.789 -2.823 8.921 1.00 0.00 O ATOM 320 CB ILE A 23 -10.520 -1.414 6.508 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.284 -2.821 5.928 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.541 -0.461 5.804 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.485 -2.982 4.419 1.00 0.00 C ATOM 0 H ILE A 23 -8.639 -0.670 8.726 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.521 -1.177 8.355 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.539 -1.088 6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.265 -3.123 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.952 -3.516 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.640 -0.570 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.767 0.567 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.521 -0.703 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.289 -4.016 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.511 -2.722 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.798 -2.323 3.888 1.00 0.00 H new ATOM 335 N PRO A 24 -10.873 -3.632 9.095 1.00 0.00 N ATOM 336 CA PRO A 24 -10.453 -4.951 9.568 1.00 0.00 C ATOM 337 C PRO A 24 -9.778 -5.784 8.469 1.00 0.00 C ATOM 338 O PRO A 24 -9.766 -5.420 7.297 1.00 0.00 O ATOM 339 CB PRO A 24 -11.719 -5.646 10.053 1.00 0.00 C ATOM 340 CG PRO A 24 -12.832 -4.973 9.268 1.00 0.00 C ATOM 341 CD PRO A 24 -12.319 -3.568 8.958 1.00 0.00 C ATOM 0 HA PRO A 24 -9.709 -4.845 10.358 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.685 -6.718 9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.856 -5.521 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.053 -5.521 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.754 -4.935 9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.603 -3.262 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.744 -2.837 9.645 1.00 0.00 H new ATOM 349 N ARG A 25 -9.171 -6.922 8.822 1.00 0.00 N ATOM 350 CA ARG A 25 -8.445 -7.704 7.818 1.00 0.00 C ATOM 351 C ARG A 25 -9.352 -8.565 6.949 1.00 0.00 C ATOM 352 O ARG A 25 -8.889 -8.976 5.883 1.00 0.00 O ATOM 353 CB ARG A 25 -7.318 -8.533 8.450 1.00 0.00 C ATOM 354 CG ARG A 25 -7.808 -9.708 9.310 1.00 0.00 C ATOM 355 CD ARG A 25 -6.638 -10.596 9.729 1.00 0.00 C ATOM 356 NE ARG A 25 -5.789 -9.979 10.766 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.577 -10.425 11.123 1.00 0.00 C ATOM 358 NH1 ARG A 25 -3.980 -11.383 10.412 1.00 0.00 N ATOM 359 NH2 ARG A 25 -3.960 -9.909 12.186 1.00 0.00 N ATOM 0 H ARG A 25 -9.166 -7.312 9.764 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.990 -6.975 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.678 -8.920 7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.702 -7.878 9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.318 -9.329 10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.535 -10.296 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.024 -11.545 10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.028 -10.821 8.854 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.150 -9.154 11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.446 -11.777 9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.057 -11.721 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.411 -9.173 12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.037 -10.250 12.456 1.00 0.00 H new ATOM 373 N ALA A 26 -10.586 -8.872 7.366 1.00 0.00 N ATOM 374 CA ALA A 26 -11.416 -9.718 6.511 1.00 0.00 C ATOM 375 C ALA A 26 -11.966 -8.904 5.337 1.00 0.00 C ATOM 376 O ALA A 26 -11.981 -9.407 4.217 1.00 0.00 O ATOM 377 CB ALA A 26 -12.520 -10.412 7.299 1.00 0.00 C ATOM 0 H ALA A 26 -11.012 -8.566 8.241 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.790 -10.513 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.114 -11.031 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.076 -11.039 8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.161 -9.663 7.764 1.00 0.00 H new ATOM 383 N GLU A 27 -12.312 -7.633 5.562 1.00 0.00 N ATOM 384 CA GLU A 27 -12.855 -6.729 4.541 1.00 0.00 C ATOM 385 C GLU A 27 -11.918 -6.628 3.331 1.00 0.00 C ATOM 386 O GLU A 27 -12.376 -6.467 2.208 1.00 0.00 O ATOM 387 CB GLU A 27 -13.034 -5.337 5.159 1.00 0.00 C ATOM 388 CG GLU A 27 -14.210 -5.213 6.126 1.00 0.00 C ATOM 389 CD GLU A 27 -15.562 -4.911 5.504 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.862 -3.720 5.254 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.404 -5.833 5.474 1.00 0.00 O ATOM 0 H GLU A 27 -12.221 -7.194 6.478 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.811 -7.125 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.118 -5.068 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.164 -4.612 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.292 -6.144 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.981 -4.427 6.845 1.00 0.00 H new ATOM 398 N VAL A 28 -10.603 -6.762 3.545 1.00 0.00 N ATOM 399 CA VAL A 28 -9.589 -6.659 2.507 1.00 0.00 C ATOM 400 C VAL A 28 -9.948 -7.536 1.312 1.00 0.00 C ATOM 401 O VAL A 28 -10.050 -7.023 0.206 1.00 0.00 O ATOM 402 CB VAL A 28 -8.212 -7.025 3.081 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.141 -7.117 1.988 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.770 -6.017 4.155 1.00 0.00 C ATOM 0 H VAL A 28 -10.213 -6.949 4.469 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.547 -5.629 2.153 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.318 -8.008 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.183 -7.378 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.423 -7.883 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.054 -6.156 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.792 -6.303 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.709 -5.021 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.495 -6.011 4.969 1.00 0.00 H new ATOM 414 N ALA A 29 -10.093 -8.851 1.493 1.00 0.00 N ATOM 415 CA ALA A 29 -10.318 -9.744 0.357 1.00 0.00 C ATOM 416 C ALA A 29 -11.671 -9.504 -0.324 1.00 0.00 C ATOM 417 O ALA A 29 -11.896 -10.030 -1.410 1.00 0.00 O ATOM 418 CB ALA A 29 -10.261 -11.200 0.775 1.00 0.00 C ATOM 0 H ALA A 29 -10.059 -9.314 2.401 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.518 -9.520 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.432 -11.835 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.280 -11.419 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.029 -11.394 1.523 1.00 0.00 H new ATOM 424 N GLU A 30 -12.575 -8.753 0.298 1.00 0.00 N ATOM 425 CA GLU A 30 -13.784 -8.262 -0.343 1.00 0.00 C ATOM 426 C GLU A 30 -13.458 -7.093 -1.290 1.00 0.00 C ATOM 427 O GLU A 30 -14.112 -6.962 -2.328 1.00 0.00 O ATOM 428 CB GLU A 30 -14.843 -7.930 0.728 1.00 0.00 C ATOM 429 CG GLU A 30 -15.635 -6.631 0.464 1.00 0.00 C ATOM 430 CD GLU A 30 -16.732 -6.344 1.487 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.030 -7.213 2.339 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.366 -5.267 1.387 1.00 0.00 O ATOM 0 H GLU A 30 -12.485 -8.467 1.273 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.218 -9.037 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.545 -8.761 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.349 -7.849 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.939 -5.792 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.085 -6.689 -0.527 1.00 0.00 H new ATOM 439 N LEU A 31 -12.477 -6.249 -0.953 1.00 0.00 N ATOM 440 CA LEU A 31 -12.060 -5.108 -1.758 1.00 0.00 C ATOM 441 C LEU A 31 -11.216 -5.582 -2.935 1.00 0.00 C ATOM 442 O LEU A 31 -11.380 -5.096 -4.054 1.00 0.00 O ATOM 443 CB LEU A 31 -11.205 -4.126 -0.937 1.00 0.00 C ATOM 444 CG LEU A 31 -11.868 -3.515 0.314 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.837 -2.654 1.049 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.073 -2.636 -0.035 1.00 0.00 C ATOM 0 H LEU A 31 -11.941 -6.347 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.965 -4.607 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.298 -4.643 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.898 -3.311 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.220 -4.338 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.295 -2.216 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.991 -3.274 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.491 -1.858 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.504 -2.230 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.752 -1.818 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.822 -3.234 -0.554 1.00 0.00 H new ATOM 458 N LEU A 32 -10.256 -6.469 -2.675 1.00 0.00 N ATOM 459 CA LEU A 32 -9.351 -6.975 -3.695 1.00 0.00 C ATOM 460 C LEU A 32 -10.061 -8.110 -4.430 1.00 0.00 C ATOM 461 O LEU A 32 -10.939 -8.765 -3.871 1.00 0.00 O ATOM 462 CB LEU A 32 -8.026 -7.465 -3.074 1.00 0.00 C ATOM 463 CG LEU A 32 -7.467 -6.658 -1.887 1.00 0.00 C ATOM 464 CD1 LEU A 32 -6.114 -7.188 -1.428 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.384 -5.155 -2.149 1.00 0.00 C ATOM 0 H LEU A 32 -10.087 -6.855 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.095 -6.177 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.166 -8.495 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.270 -7.480 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.192 -6.798 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.755 -6.591 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.217 -8.227 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.401 -7.125 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.981 -4.654 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.731 -4.970 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.380 -4.767 -2.363 1.00 0.00 H new ATOM 477 N VAL A 33 -9.671 -8.408 -5.661 1.00 0.00 N ATOM 478 CA VAL A 33 -10.350 -9.372 -6.525 1.00 0.00 C ATOM 479 C VAL A 33 -9.310 -10.159 -7.319 1.00 0.00 C ATOM 480 O VAL A 33 -9.455 -11.379 -7.492 1.00 0.00 O ATOM 481 CB VAL A 33 -11.343 -8.638 -7.459 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.201 -9.640 -8.242 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.296 -7.692 -6.706 1.00 0.00 C ATOM 0 H VAL A 33 -8.856 -7.979 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.923 -10.075 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.723 -8.046 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.890 -9.100 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.556 -10.276 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.767 -10.257 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.966 -7.209 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.882 -8.263 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.716 -6.933 -6.181 1.00 0.00 H new ATOM 493 N HIS A 34 -8.262 -9.483 -7.790 1.00 0.00 N ATOM 494 CA HIS A 34 -7.220 -10.027 -8.644 1.00 0.00 C ATOM 495 C HIS A 34 -5.861 -9.736 -8.028 1.00 0.00 C ATOM 496 O HIS A 34 -5.742 -9.007 -7.046 1.00 0.00 O ATOM 497 CB HIS A 34 -7.301 -9.396 -10.036 1.00 0.00 C ATOM 498 CG HIS A 34 -8.677 -9.372 -10.641 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.385 -10.463 -11.090 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.449 -8.259 -10.829 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.558 -10.008 -11.556 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.644 -8.675 -11.418 1.00 0.00 N ATOM 0 H HIS A 34 -8.115 -8.497 -7.574 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.356 -11.105 -8.736 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.928 -8.374 -9.978 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.635 -9.941 -10.705 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.183 -7.245 -10.570 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.330 -10.630 -11.985 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.429 -8.083 -11.690 1.00 0.00 H new ATOM 510 N SER A 35 -4.812 -10.316 -8.599 1.00 0.00 N ATOM 511 CA SER A 35 -3.447 -10.061 -8.181 1.00 0.00 C ATOM 512 C SER A 35 -3.110 -8.576 -8.316 1.00 0.00 C ATOM 513 O SER A 35 -3.527 -7.903 -9.266 1.00 0.00 O ATOM 514 CB SER A 35 -2.515 -10.929 -9.030 1.00 0.00 C ATOM 515 OG SER A 35 -2.892 -10.902 -10.398 1.00 0.00 O ATOM 0 H SER A 35 -4.890 -10.980 -9.369 1.00 0.00 H new ATOM 0 HA SER A 35 -3.321 -10.319 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.489 -10.575 -8.926 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.537 -11.956 -8.664 1.00 0.00 H new ATOM 0 HG SER A 35 -2.279 -11.463 -10.917 1.00 0.00 H new ATOM 521 N GLY A 36 -2.283 -8.075 -7.404 1.00 0.00 N ATOM 522 CA GLY A 36 -1.731 -6.738 -7.494 1.00 0.00 C ATOM 523 C GLY A 36 -2.624 -5.678 -6.890 1.00 0.00 C ATOM 524 O GLY A 36 -2.118 -4.579 -6.679 1.00 0.00 O ATOM 0 H GLY A 36 -1.978 -8.592 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.764 -6.718 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.551 -6.497 -8.542 1.00 0.00 H new ATOM 528 N ASP A 37 -3.902 -5.985 -6.647 1.00 0.00 N ATOM 529 CA ASP A 37 -4.846 -5.140 -5.923 1.00 0.00 C ATOM 530 C ASP A 37 -4.235 -4.907 -4.554 1.00 0.00 C ATOM 531 O ASP A 37 -3.966 -5.880 -3.851 1.00 0.00 O ATOM 532 CB ASP A 37 -6.216 -5.833 -5.769 1.00 0.00 C ATOM 533 CG ASP A 37 -7.065 -5.892 -7.051 1.00 0.00 C ATOM 534 OD1 ASP A 37 -6.781 -5.161 -8.029 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.004 -6.718 -7.083 1.00 0.00 O ATOM 0 H ASP A 37 -4.319 -6.861 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.018 -4.208 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.053 -6.850 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.785 -5.312 -4.999 1.00 0.00 H new ATOM 540 N PHE A 38 -3.992 -3.654 -4.175 1.00 0.00 N ATOM 541 CA PHE A 38 -3.488 -3.276 -2.864 1.00 0.00 C ATOM 542 C PHE A 38 -4.294 -2.118 -2.297 1.00 0.00 C ATOM 543 O PHE A 38 -4.809 -1.263 -3.023 1.00 0.00 O ATOM 544 CB PHE A 38 -1.975 -2.955 -2.891 1.00 0.00 C ATOM 545 CG PHE A 38 -1.581 -1.667 -3.581 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.540 -0.447 -2.879 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.225 -1.698 -4.939 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.199 0.739 -3.552 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.942 -0.509 -5.623 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.933 0.713 -4.932 1.00 0.00 C ATOM 0 H PHE A 38 -4.146 -2.855 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.611 -4.134 -2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.613 -2.918 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.458 -3.779 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.770 -0.423 -1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.169 -2.643 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.141 1.671 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.731 -0.532 -6.682 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.722 1.631 -5.460 1.00 0.00 H new ATOM 560 N LEU A 39 -4.327 -2.063 -0.967 1.00 0.00 N ATOM 561 CA LEU A 39 -4.765 -0.939 -0.180 1.00 0.00 C ATOM 562 C LEU A 39 -3.793 -0.777 0.990 1.00 0.00 C ATOM 563 O LEU A 39 -3.009 -1.682 1.304 1.00 0.00 O ATOM 564 CB LEU A 39 -6.211 -1.177 0.277 1.00 0.00 C ATOM 565 CG LEU A 39 -6.343 -2.283 1.348 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.899 -1.727 2.646 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.218 -3.429 0.864 1.00 0.00 C ATOM 0 H LEU A 39 -4.031 -2.850 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.762 -0.014 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.616 -0.247 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.818 -1.445 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.340 -2.668 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.980 -2.529 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.232 -0.954 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.885 -1.299 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.288 -4.188 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.215 -3.053 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.779 -3.868 -0.032 1.00 0.00 H new ATOM 579 N VAL A 40 -3.881 0.352 1.676 1.00 0.00 N ATOM 580 CA VAL A 40 -3.197 0.640 2.919 1.00 0.00 C ATOM 581 C VAL A 40 -4.295 0.906 3.939 1.00 0.00 C ATOM 582 O VAL A 40 -5.246 1.640 3.669 1.00 0.00 O ATOM 583 CB VAL A 40 -2.218 1.814 2.749 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.527 2.120 4.079 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.145 1.496 1.692 1.00 0.00 C ATOM 0 H VAL A 40 -4.462 1.129 1.361 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.573 -0.188 3.254 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.794 2.679 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.836 2.953 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.276 2.385 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.976 1.241 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.468 2.345 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.581 0.615 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.625 1.303 0.733 1.00 0.00 H new ATOM 595 N ARG A 41 -4.194 0.250 5.089 1.00 0.00 N ATOM 596 CA ARG A 41 -5.148 0.319 6.187 1.00 0.00 C ATOM 597 C ARG A 41 -4.376 0.586 7.463 1.00 0.00 C ATOM 598 O ARG A 41 -3.182 0.308 7.522 1.00 0.00 O ATOM 599 CB ARG A 41 -5.916 -1.011 6.293 1.00 0.00 C ATOM 600 CG ARG A 41 -5.007 -2.190 6.660 1.00 0.00 C ATOM 601 CD ARG A 41 -5.688 -3.549 6.593 1.00 0.00 C ATOM 602 NE ARG A 41 -6.478 -3.828 7.798 1.00 0.00 N ATOM 603 CZ ARG A 41 -6.204 -4.694 8.778 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.224 -5.586 8.669 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.939 -4.665 9.882 1.00 0.00 N ATOM 0 H ARG A 41 -3.410 -0.371 5.289 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.871 1.117 6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.700 -0.914 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.408 -1.219 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.148 -2.194 5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.624 -2.038 7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.336 -3.587 5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.935 -4.326 6.465 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.342 -3.296 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.659 -5.621 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.038 -6.235 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.698 -3.990 9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.745 -5.318 10.641 1.00 0.00 H new ATOM 619 N GLU A 42 -5.052 1.008 8.512 1.00 0.00 N ATOM 620 CA GLU A 42 -4.485 1.146 9.838 1.00 0.00 C ATOM 621 C GLU A 42 -4.585 -0.201 10.552 1.00 0.00 C ATOM 622 O GLU A 42 -5.324 -1.100 10.123 1.00 0.00 O ATOM 623 CB GLU A 42 -5.162 2.339 10.540 1.00 0.00 C ATOM 624 CG GLU A 42 -4.437 2.748 11.840 1.00 0.00 C ATOM 625 CD GLU A 42 -5.146 2.448 13.165 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.960 3.293 13.621 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.748 1.488 13.858 1.00 0.00 O ATOM 0 H GLU A 42 -6.036 1.271 8.465 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.422 1.386 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.188 3.190 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.196 2.082 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.467 2.250 11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.244 3.820 11.796 1.00 0.00 H new ATOM 634 N SER A 43 -3.819 -0.359 11.627 1.00 0.00 N ATOM 635 CA SER A 43 -3.925 -1.478 12.539 1.00 0.00 C ATOM 636 C SER A 43 -5.177 -1.320 13.416 1.00 0.00 C ATOM 637 O SER A 43 -6.203 -0.783 12.986 1.00 0.00 O ATOM 638 CB SER A 43 -2.608 -1.559 13.315 1.00 0.00 C ATOM 639 OG SER A 43 -2.480 -2.818 13.957 1.00 0.00 O ATOM 0 H SER A 43 -3.092 0.307 11.889 1.00 0.00 H new ATOM 0 HA SER A 43 -4.062 -2.428 12.022 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.770 -1.405 12.635 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.568 -0.761 14.057 1.00 0.00 H new ATOM 0 HG SER A 43 -1.631 -2.851 14.446 1.00 0.00 H new ATOM 645 N GLN A 44 -5.151 -1.895 14.616 1.00 0.00 N ATOM 646 CA GLN A 44 -6.272 -1.869 15.535 1.00 0.00 C ATOM 647 C GLN A 44 -6.015 -0.766 16.561 1.00 0.00 C ATOM 648 O GLN A 44 -5.670 -1.034 17.717 1.00 0.00 O ATOM 649 CB GLN A 44 -6.499 -3.264 16.135 1.00 0.00 C ATOM 650 CG GLN A 44 -7.296 -4.186 15.193 1.00 0.00 C ATOM 651 CD GLN A 44 -6.571 -4.520 13.890 1.00 0.00 C ATOM 652 OE1 GLN A 44 -6.834 -3.817 12.804 1.00 0.00 O flip ATOM 653 NE2 GLN A 44 -5.771 -5.448 13.819 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.339 -2.396 14.976 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.207 -1.628 15.030 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.535 -3.722 16.357 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.032 -3.167 17.081 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.525 -5.114 15.717 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.248 -3.711 14.956 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.557 -6.001 14.649 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.320 -5.666 12.930 1.00 0.00 H new ATOM 662 N GLY A 45 -6.173 0.484 16.135 1.00 0.00 N ATOM 663 CA GLY A 45 -5.932 1.668 16.940 1.00 0.00 C ATOM 664 C GLY A 45 -4.460 1.790 17.310 1.00 0.00 C ATOM 665 O GLY A 45 -4.154 2.144 18.449 1.00 0.00 O ATOM 0 H GLY A 45 -6.483 0.703 15.188 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.247 2.555 16.390 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.535 1.624 17.847 1.00 0.00 H new ATOM 669 N LYS A 46 -3.542 1.429 16.409 1.00 0.00 N ATOM 670 CA LYS A 46 -2.097 1.600 16.587 1.00 0.00 C ATOM 671 C LYS A 46 -1.648 2.660 15.598 1.00 0.00 C ATOM 672 O LYS A 46 -2.282 2.840 14.561 1.00 0.00 O ATOM 673 CB LYS A 46 -1.310 0.290 16.372 1.00 0.00 C ATOM 674 CG LYS A 46 -1.954 -0.982 16.951 1.00 0.00 C ATOM 675 CD LYS A 46 -2.178 -0.882 18.463 1.00 0.00 C ATOM 676 CE LYS A 46 -2.933 -2.100 19.002 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.517 -1.814 20.329 1.00 0.00 N ATOM 0 H LYS A 46 -3.788 1.001 15.517 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.894 1.901 17.615 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.166 0.146 15.301 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.320 0.406 16.814 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.908 -1.162 16.455 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.317 -1.840 16.736 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.216 -0.796 18.969 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.740 0.024 18.689 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.723 -2.381 18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.255 -2.950 19.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.024 -2.654 20.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.758 -1.569 20.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.181 -1.017 20.252 1.00 0.00 H new ATOM 691 N GLN A 47 -0.573 3.376 15.890 1.00 0.00 N ATOM 692 CA GLN A 47 -0.036 4.361 14.961 1.00 0.00 C ATOM 693 C GLN A 47 0.878 3.616 13.991 1.00 0.00 C ATOM 694 O GLN A 47 2.092 3.825 13.962 1.00 0.00 O ATOM 695 CB GLN A 47 0.653 5.476 15.756 1.00 0.00 C ATOM 696 CG GLN A 47 -0.377 6.317 16.530 1.00 0.00 C ATOM 697 CD GLN A 47 0.255 7.340 17.468 1.00 0.00 C ATOM 698 OE1 GLN A 47 1.465 7.566 17.483 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.533 7.949 18.333 1.00 0.00 N ATOM 0 H GLN A 47 -0.054 3.294 16.764 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.806 4.856 14.370 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.370 5.041 16.452 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.216 6.117 15.078 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.019 6.836 15.818 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.017 5.651 17.109 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.536 7.766 18.326 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.139 8.603 19.009 1.00 0.00 H new ATOM 708 N GLU A 48 0.310 2.657 13.254 1.00 0.00 N ATOM 709 CA GLU A 48 1.024 1.825 12.326 1.00 0.00 C ATOM 710 C GLU A 48 0.020 1.376 11.273 1.00 0.00 C ATOM 711 O GLU A 48 -1.128 1.050 11.595 1.00 0.00 O ATOM 712 CB GLU A 48 1.601 0.673 13.144 1.00 0.00 C ATOM 713 CG GLU A 48 2.145 -0.464 12.297 1.00 0.00 C ATOM 714 CD GLU A 48 2.874 -1.434 13.224 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.192 -2.117 14.022 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.117 -1.520 13.192 1.00 0.00 O ATOM 0 H GLU A 48 -0.687 2.445 13.300 1.00 0.00 H new ATOM 0 HA GLU A 48 1.845 2.321 11.809 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.400 1.055 13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.826 0.284 13.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.334 -0.972 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.824 -0.081 11.535 1.00 0.00 H new ATOM 723 N TYR A 49 0.450 1.385 10.016 1.00 0.00 N ATOM 724 CA TYR A 49 -0.365 1.000 8.877 1.00 0.00 C ATOM 725 C TYR A 49 0.048 -0.396 8.386 1.00 0.00 C ATOM 726 O TYR A 49 1.123 -0.903 8.711 1.00 0.00 O ATOM 727 CB TYR A 49 -0.247 2.080 7.789 1.00 0.00 C ATOM 728 CG TYR A 49 -0.838 3.442 8.127 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.229 3.601 8.268 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.010 4.577 8.215 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.788 4.865 8.536 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.563 5.850 8.448 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.956 6.005 8.619 1.00 0.00 C ATOM 734 OH TYR A 49 -2.482 7.247 8.804 1.00 0.00 O ATOM 0 H TYR A 49 1.396 1.667 9.758 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.416 0.932 9.159 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.808 2.214 7.552 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.732 1.711 6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.876 2.742 8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.059 4.470 8.103 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.854 4.964 8.678 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.083 6.714 8.496 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.346 7.308 8.346 1.00 0.00 H new ATOM 744 N VAL A 50 -0.797 -1.027 7.577 1.00 0.00 N ATOM 745 CA VAL A 50 -0.651 -2.357 7.009 1.00 0.00 C ATOM 746 C VAL A 50 -0.935 -2.218 5.517 1.00 0.00 C ATOM 747 O VAL A 50 -1.966 -1.678 5.113 1.00 0.00 O ATOM 748 CB VAL A 50 -1.658 -3.326 7.662 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.654 -4.714 7.002 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.442 -3.554 9.157 1.00 0.00 C ATOM 0 H VAL A 50 -1.667 -0.585 7.281 1.00 0.00 H new ATOM 0 HA VAL A 50 0.347 -2.759 7.183 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.611 -2.819 7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.381 -5.356 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.918 -4.617 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.661 -5.155 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.194 -4.248 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.449 -3.972 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.528 -2.605 9.686 1.00 0.00 H new ATOM 760 N LEU A 51 -0.020 -2.706 4.694 1.00 0.00 N ATOM 761 CA LEU A 51 -0.201 -2.894 3.270 1.00 0.00 C ATOM 762 C LEU A 51 -0.922 -4.215 3.084 1.00 0.00 C ATOM 763 O LEU A 51 -0.456 -5.247 3.570 1.00 0.00 O ATOM 764 CB LEU A 51 1.184 -2.951 2.613 1.00 0.00 C ATOM 765 CG LEU A 51 1.176 -2.968 1.081 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.575 -1.697 0.473 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.635 -3.087 0.644 1.00 0.00 C ATOM 0 H LEU A 51 0.904 -2.992 5.016 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.776 -2.084 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.764 -2.091 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.701 -3.842 2.968 1.00 0.00 H new ATOM 0 HG LEU A 51 0.559 -3.798 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.597 -1.768 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.456 -1.586 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.156 -0.831 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.689 -3.104 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.199 -2.234 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.060 -4.008 1.042 1.00 0.00 H new ATOM 779 N SER A 52 -2.076 -4.195 2.430 1.00 0.00 N ATOM 780 CA SER A 52 -2.879 -5.384 2.204 1.00 0.00 C ATOM 781 C SER A 52 -3.035 -5.514 0.701 1.00 0.00 C ATOM 782 O SER A 52 -3.674 -4.670 0.081 1.00 0.00 O ATOM 783 CB SER A 52 -4.206 -5.289 2.956 1.00 0.00 C ATOM 784 OG SER A 52 -3.989 -4.778 4.259 1.00 0.00 O ATOM 0 H SER A 52 -2.482 -3.345 2.039 1.00 0.00 H new ATOM 0 HA SER A 52 -2.405 -6.285 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.896 -4.643 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.671 -6.273 3.015 1.00 0.00 H new ATOM 0 HG SER A 52 -3.981 -5.517 4.903 1.00 0.00 H new ATOM 790 N VAL A 53 -2.352 -6.495 0.119 1.00 0.00 N ATOM 791 CA VAL A 53 -2.230 -6.718 -1.309 1.00 0.00 C ATOM 792 C VAL A 53 -2.580 -8.180 -1.596 1.00 0.00 C ATOM 793 O VAL A 53 -2.231 -9.066 -0.810 1.00 0.00 O ATOM 794 CB VAL A 53 -0.822 -6.282 -1.765 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.290 -6.885 -0.891 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.547 -6.575 -3.247 1.00 0.00 C ATOM 0 H VAL A 53 -1.843 -7.191 0.665 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.927 -6.115 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.809 -5.199 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.261 -6.548 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.156 -6.563 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.242 -7.973 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.460 -6.244 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.634 -7.646 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.271 -6.043 -3.864 1.00 0.00 H new ATOM 806 N LEU A 54 -3.331 -8.438 -2.663 1.00 0.00 N ATOM 807 CA LEU A 54 -3.681 -9.776 -3.116 1.00 0.00 C ATOM 808 C LEU A 54 -2.507 -10.252 -3.970 1.00 0.00 C ATOM 809 O LEU A 54 -2.175 -9.595 -4.958 1.00 0.00 O ATOM 810 CB LEU A 54 -4.995 -9.727 -3.917 1.00 0.00 C ATOM 811 CG LEU A 54 -5.761 -11.063 -4.015 1.00 0.00 C ATOM 812 CD1 LEU A 54 -4.862 -12.270 -4.156 1.00 0.00 C ATOM 813 CD2 LEU A 54 -6.704 -11.253 -2.831 1.00 0.00 C ATOM 0 H LEU A 54 -3.722 -7.701 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.849 -10.465 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.651 -8.984 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.773 -9.380 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.343 -10.993 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.471 -13.172 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.262 -12.173 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.204 -12.337 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.228 -12.204 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.130 -11.251 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.430 -10.440 -2.810 1.00 0.00 H new ATOM 825 N TRP A 55 -1.873 -11.374 -3.620 1.00 0.00 N ATOM 826 CA TRP A 55 -0.919 -12.041 -4.497 1.00 0.00 C ATOM 827 C TRP A 55 -1.379 -13.477 -4.683 1.00 0.00 C ATOM 828 O TRP A 55 -1.560 -14.203 -3.706 1.00 0.00 O ATOM 829 CB TRP A 55 0.506 -11.939 -3.940 1.00 0.00 C ATOM 830 CG TRP A 55 1.589 -11.908 -4.982 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.702 -12.675 -4.982 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.710 -11.034 -6.151 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.479 -12.358 -6.081 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.946 -11.313 -6.808 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.931 -9.982 -6.682 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.407 -10.543 -7.891 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.328 -9.287 -7.839 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.559 -9.578 -8.446 1.00 0.00 C ATOM 0 H TRP A 55 -2.009 -11.841 -2.723 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.887 -11.554 -5.472 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.580 -11.037 -3.332 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.683 -12.786 -3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.946 -13.420 -4.239 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.344 -12.840 -6.326 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.011 -9.705 -6.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.400 -10.694 -8.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.685 -8.529 -8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.853 -9.056 -9.344 1.00 0.00 H new ATOM 849 N ASP A 56 -1.592 -13.865 -5.934 1.00 0.00 N ATOM 850 CA ASP A 56 -2.079 -15.152 -6.428 1.00 0.00 C ATOM 851 C ASP A 56 -3.098 -15.815 -5.498 1.00 0.00 C ATOM 852 O ASP A 56 -2.863 -16.864 -4.890 1.00 0.00 O ATOM 853 CB ASP A 56 -0.913 -16.044 -6.888 1.00 0.00 C ATOM 854 CG ASP A 56 -0.939 -16.155 -8.408 1.00 0.00 C ATOM 855 OD1 ASP A 56 -1.922 -16.712 -8.954 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.007 -15.582 -9.026 1.00 0.00 O ATOM 0 H ASP A 56 -1.411 -13.224 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.669 -14.968 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.036 -15.622 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.996 -17.033 -6.437 1.00 0.00 H new ATOM 861 N GLY A 57 -4.256 -15.162 -5.396 1.00 0.00 N ATOM 862 CA GLY A 57 -5.450 -15.640 -4.715 1.00 0.00 C ATOM 863 C GLY A 57 -5.315 -15.640 -3.197 1.00 0.00 C ATOM 864 O GLY A 57 -6.183 -16.174 -2.508 1.00 0.00 O ATOM 0 H GLY A 57 -4.389 -14.239 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.297 -15.015 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.673 -16.652 -5.054 1.00 0.00 H new ATOM 868 N LEU A 58 -4.250 -15.037 -2.665 1.00 0.00 N ATOM 869 CA LEU A 58 -3.985 -14.942 -1.236 1.00 0.00 C ATOM 870 C LEU A 58 -3.738 -13.475 -0.851 1.00 0.00 C ATOM 871 O LEU A 58 -2.659 -12.947 -1.132 1.00 0.00 O ATOM 872 CB LEU A 58 -2.811 -15.864 -0.872 1.00 0.00 C ATOM 873 CG LEU A 58 -2.620 -16.186 0.621 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.353 -14.960 1.497 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.791 -16.986 1.196 1.00 0.00 C ATOM 0 H LEU A 58 -3.531 -14.591 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.848 -15.278 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.938 -16.804 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.893 -15.407 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.720 -16.800 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.230 -15.273 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.445 -14.462 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.194 -14.270 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.610 -17.189 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.711 -16.412 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.887 -17.929 0.657 1.00 0.00 H new ATOM 887 N PRO A 59 -4.689 -12.805 -0.177 1.00 0.00 N ATOM 888 CA PRO A 59 -4.492 -11.492 0.434 1.00 0.00 C ATOM 889 C PRO A 59 -3.392 -11.532 1.509 1.00 0.00 C ATOM 890 O PRO A 59 -3.639 -11.806 2.693 1.00 0.00 O ATOM 891 CB PRO A 59 -5.866 -11.056 0.967 1.00 0.00 C ATOM 892 CG PRO A 59 -6.580 -12.376 1.190 1.00 0.00 C ATOM 893 CD PRO A 59 -5.997 -13.335 0.174 1.00 0.00 C ATOM 0 HA PRO A 59 -4.132 -10.757 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.778 -10.484 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.395 -10.427 0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.423 -12.739 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.656 -12.267 1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.912 -14.339 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.637 -13.407 -0.705 1.00 0.00 H new ATOM 901 N ARG A 60 -2.145 -11.256 1.108 1.00 0.00 N ATOM 902 CA ARG A 60 -1.044 -10.986 2.017 1.00 0.00 C ATOM 903 C ARG A 60 -1.335 -9.713 2.789 1.00 0.00 C ATOM 904 O ARG A 60 -2.107 -8.858 2.359 1.00 0.00 O ATOM 905 CB ARG A 60 0.245 -10.838 1.246 1.00 0.00 C ATOM 906 CG ARG A 60 0.627 -12.171 0.625 1.00 0.00 C ATOM 907 CD ARG A 60 1.256 -13.102 1.664 1.00 0.00 C ATOM 908 NE ARG A 60 0.362 -13.751 2.640 1.00 0.00 N ATOM 909 CZ ARG A 60 0.680 -14.742 3.478 1.00 0.00 C ATOM 910 NH1 ARG A 60 1.799 -15.441 3.344 1.00 0.00 N ATOM 911 NH2 ARG A 60 -0.147 -15.042 4.469 1.00 0.00 N ATOM 0 H ARG A 60 -1.877 -11.215 0.125 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.938 -11.819 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.130 -10.083 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.039 -10.494 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.257 -12.643 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.328 -12.007 -0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.793 -13.886 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.999 -12.530 2.220 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.598 -13.408 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.446 -15.228 2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.013 -16.192 4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.015 -14.519 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.084 -15.796 5.116 1.00 0.00 H new ATOM 925 N HIS A 61 -0.689 -9.568 3.928 1.00 0.00 N ATOM 926 CA HIS A 61 -0.730 -8.351 4.717 1.00 0.00 C ATOM 927 C HIS A 61 0.674 -8.183 5.270 1.00 0.00 C ATOM 928 O HIS A 61 1.173 -9.061 5.972 1.00 0.00 O ATOM 929 CB HIS A 61 -1.841 -8.381 5.783 1.00 0.00 C ATOM 930 CG HIS A 61 -1.734 -9.474 6.808 1.00 0.00 C ATOM 931 ND1 HIS A 61 -1.413 -9.323 8.138 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.945 -10.801 6.574 1.00 0.00 C ATOM 933 CE1 HIS A 61 -1.396 -10.547 8.685 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.702 -11.489 7.768 1.00 0.00 N ATOM 0 H HIS A 61 -0.112 -10.302 4.339 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.000 -7.480 4.120 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.847 -7.422 6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.802 -8.476 5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.246 -11.242 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.168 -10.752 9.721 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.747 -12.497 7.915 1.00 0.00 H new ATOM 942 N PHE A 62 1.345 -7.120 4.856 1.00 0.00 N ATOM 943 CA PHE A 62 2.676 -6.765 5.302 1.00 0.00 C ATOM 944 C PHE A 62 2.505 -5.446 6.041 1.00 0.00 C ATOM 945 O PHE A 62 1.881 -4.535 5.509 1.00 0.00 O ATOM 946 CB PHE A 62 3.606 -6.641 4.084 1.00 0.00 C ATOM 947 CG PHE A 62 3.600 -7.840 3.142 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.197 -9.057 3.524 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.978 -7.749 1.881 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.190 -10.160 2.648 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.954 -8.858 1.017 1.00 0.00 C ATOM 952 CZ PHE A 62 3.564 -10.072 1.391 1.00 0.00 C ATOM 0 H PHE A 62 0.962 -6.461 4.178 1.00 0.00 H new ATOM 0 HA PHE A 62 3.129 -7.511 5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.323 -5.753 3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.624 -6.482 4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.663 -9.145 4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.517 -6.821 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.669 -11.081 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.464 -8.779 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.551 -10.921 0.724 1.00 0.00 H new ATOM 962 N ILE A 63 2.995 -5.329 7.273 1.00 0.00 N ATOM 963 CA ILE A 63 2.989 -4.043 7.969 1.00 0.00 C ATOM 964 C ILE A 63 3.760 -3.042 7.100 1.00 0.00 C ATOM 965 O ILE A 63 4.812 -3.405 6.551 1.00 0.00 O ATOM 966 CB ILE A 63 3.532 -4.232 9.401 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.411 -4.838 10.277 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.111 -2.942 9.997 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.430 -3.810 10.858 1.00 0.00 C ATOM 0 H ILE A 63 3.397 -6.100 7.806 1.00 0.00 H new ATOM 0 HA ILE A 63 1.987 -3.636 8.103 1.00 0.00 H new ATOM 0 HB ILE A 63 4.376 -4.921 9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.851 -5.559 9.681 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.868 -5.390 11.098 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.477 -3.139 11.005 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.934 -2.591 9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.334 -2.178 10.036 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.678 -4.323 11.458 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.973 -3.102 11.484 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.941 -3.274 10.045 1.00 0.00 H new ATOM 981 N ILE A 64 3.205 -1.834 6.934 1.00 0.00 N ATOM 982 CA ILE A 64 3.843 -0.744 6.212 1.00 0.00 C ATOM 983 C ILE A 64 5.212 -0.512 6.828 1.00 0.00 C ATOM 984 O ILE A 64 5.465 -0.745 8.010 1.00 0.00 O ATOM 985 CB ILE A 64 2.971 0.539 6.221 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.693 0.354 5.386 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.674 1.826 5.758 1.00 0.00 C ATOM 988 CD1 ILE A 64 1.892 0.384 3.876 1.00 0.00 C ATOM 0 H ILE A 64 2.287 -1.591 7.306 1.00 0.00 H new ATOM 0 HA ILE A 64 3.958 -1.011 5.161 1.00 0.00 H new ATOM 0 HB ILE A 64 2.737 0.676 7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.236 -0.598 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.984 1.136 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.974 2.660 5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.524 2.030 6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.023 1.701 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.932 0.245 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.316 1.345 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.571 -0.416 3.583 1.00 0.00 H new ATOM 1000 N GLN A 65 6.104 -0.068 5.966 1.00 0.00 N ATOM 1001 CA GLN A 65 7.484 0.182 6.287 1.00 0.00 C ATOM 1002 C GLN A 65 7.594 1.237 7.385 1.00 0.00 C ATOM 1003 O GLN A 65 6.657 1.995 7.619 1.00 0.00 O ATOM 1004 CB GLN A 65 8.198 0.647 5.016 1.00 0.00 C ATOM 1005 CG GLN A 65 7.805 -0.102 3.725 1.00 0.00 C ATOM 1006 CD GLN A 65 6.622 0.524 3.000 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.489 0.068 3.121 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.858 1.580 2.242 1.00 0.00 N ATOM 0 H GLN A 65 5.875 0.134 4.993 1.00 0.00 H new ATOM 0 HA GLN A 65 7.951 -0.730 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.998 1.709 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.273 0.542 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.662 -0.126 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.564 -1.136 3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.807 1.943 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.091 2.032 1.744 1.00 0.00 H new ATOM 1017 N SER A 66 8.761 1.336 8.012 1.00 0.00 N ATOM 1018 CA SER A 66 9.104 2.377 8.959 1.00 0.00 C ATOM 1019 C SER A 66 10.553 2.105 9.339 1.00 0.00 C ATOM 1020 O SER A 66 10.944 0.953 9.560 1.00 0.00 O ATOM 1021 CB SER A 66 8.176 2.322 10.186 1.00 0.00 C ATOM 1022 OG SER A 66 8.437 3.361 11.113 1.00 0.00 O ATOM 0 H SER A 66 9.517 0.667 7.866 1.00 0.00 H new ATOM 0 HA SER A 66 8.984 3.375 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.139 2.386 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.293 1.359 10.683 1.00 0.00 H new ATOM 0 HG SER A 66 7.822 3.284 11.872 1.00 0.00 H new ATOM 1028 N LEU A 67 11.339 3.166 9.444 1.00 0.00 N ATOM 1029 CA LEU A 67 12.652 3.148 10.064 1.00 0.00 C ATOM 1030 C LEU A 67 12.645 4.205 11.151 1.00 0.00 C ATOM 1031 O LEU A 67 12.350 3.879 12.298 1.00 0.00 O ATOM 1032 CB LEU A 67 13.821 3.262 9.062 1.00 0.00 C ATOM 1033 CG LEU A 67 13.651 4.151 7.815 1.00 0.00 C ATOM 1034 CD1 LEU A 67 15.034 4.529 7.278 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.945 3.396 6.687 1.00 0.00 C ATOM 0 H LEU A 67 11.073 4.085 9.091 1.00 0.00 H new ATOM 0 HA LEU A 67 12.841 2.172 10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.690 3.626 9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.060 2.255 8.719 1.00 0.00 H new ATOM 0 HG LEU A 67 13.067 5.023 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.922 5.158 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.585 5.074 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.581 3.624 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.840 4.050 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.533 2.521 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.958 3.079 7.024 1.00 0.00 H new ATOM 1047 N ASP A 68 12.911 5.462 10.804 1.00 0.00 N ATOM 1048 CA ASP A 68 12.961 6.537 11.787 1.00 0.00 C ATOM 1049 C ASP A 68 11.800 7.483 11.526 1.00 0.00 C ATOM 1050 O ASP A 68 10.902 7.599 12.359 1.00 0.00 O ATOM 1051 CB ASP A 68 14.312 7.246 11.724 1.00 0.00 C ATOM 1052 CG ASP A 68 15.450 6.367 12.241 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.424 5.996 13.434 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.363 6.064 11.433 1.00 0.00 O ATOM 0 H ASP A 68 13.095 5.760 9.846 1.00 0.00 H new ATOM 0 HA ASP A 68 12.862 6.140 12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.520 7.538 10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.267 8.163 12.312 1.00 0.00 H new ATOM 1059 N ASN A 69 11.800 8.113 10.351 1.00 0.00 N ATOM 1060 CA ASN A 69 10.771 9.010 9.843 1.00 0.00 C ATOM 1061 C ASN A 69 10.421 8.675 8.380 1.00 0.00 C ATOM 1062 O ASN A 69 9.695 9.418 7.723 1.00 0.00 O ATOM 1063 CB ASN A 69 11.287 10.450 10.027 1.00 0.00 C ATOM 1064 CG ASN A 69 10.366 11.529 9.476 1.00 0.00 C ATOM 1065 OD1 ASN A 69 10.751 12.264 8.575 1.00 0.00 O ATOM 1066 ND2 ASN A 69 9.173 11.699 10.020 1.00 0.00 N ATOM 0 H ASN A 69 12.569 8.001 9.690 1.00 0.00 H new ATOM 0 HA ASN A 69 9.838 8.894 10.394 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.443 10.633 11.090 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.259 10.538 9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.564 12.448 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.862 11.082 10.770 1.00 0.00 H new ATOM 1073 N LEU A 70 10.987 7.591 7.833 1.00 0.00 N ATOM 1074 CA LEU A 70 10.902 7.225 6.417 1.00 0.00 C ATOM 1075 C LEU A 70 10.315 5.826 6.290 1.00 0.00 C ATOM 1076 O LEU A 70 10.253 5.070 7.258 1.00 0.00 O ATOM 1077 CB LEU A 70 12.279 7.245 5.714 1.00 0.00 C ATOM 1078 CG LEU A 70 13.157 8.478 5.987 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.630 8.146 5.753 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.727 9.676 5.145 1.00 0.00 C ATOM 0 H LEU A 70 11.532 6.926 8.382 1.00 0.00 H new ATOM 0 HA LEU A 70 10.266 7.966 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.832 6.356 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.117 7.170 4.639 1.00 0.00 H new ATOM 0 HG LEU A 70 13.025 8.755 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.238 9.029 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.932 7.340 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.772 7.831 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.371 10.527 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.808 9.425 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.694 9.933 5.379 1.00 0.00 H new ATOM 1092 N TYR A 71 9.963 5.454 5.066 1.00 0.00 N ATOM 1093 CA TYR A 71 9.279 4.202 4.754 1.00 0.00 C ATOM 1094 C TYR A 71 10.045 3.560 3.607 1.00 0.00 C ATOM 1095 O TYR A 71 10.136 4.186 2.558 1.00 0.00 O ATOM 1096 CB TYR A 71 7.821 4.512 4.331 1.00 0.00 C ATOM 1097 CG TYR A 71 7.090 5.498 5.217 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.414 5.066 6.370 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.106 6.863 4.897 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.788 5.985 7.229 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.495 7.790 5.749 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.846 7.363 6.926 1.00 0.00 C ATOM 1103 OH TYR A 71 5.282 8.301 7.732 1.00 0.00 O ATOM 0 H TYR A 71 10.149 6.026 4.242 1.00 0.00 H new ATOM 0 HA TYR A 71 9.246 3.531 5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.830 4.900 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.259 3.578 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.375 4.011 6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.590 7.199 3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.268 5.641 8.111 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.521 8.841 5.503 1.00 0.00 H new ATOM 0 HH TYR A 71 5.431 9.192 7.351 1.00 0.00 H new ATOM 1113 N ARG A 72 10.606 2.356 3.774 1.00 0.00 N ATOM 1114 CA ARG A 72 11.382 1.652 2.745 1.00 0.00 C ATOM 1115 C ARG A 72 11.086 0.157 2.768 1.00 0.00 C ATOM 1116 O ARG A 72 10.852 -0.373 3.857 1.00 0.00 O ATOM 1117 CB ARG A 72 12.872 1.910 2.996 1.00 0.00 C ATOM 1118 CG ARG A 72 13.510 1.162 4.170 1.00 0.00 C ATOM 1119 CD ARG A 72 13.898 -0.269 3.794 1.00 0.00 C ATOM 1120 NE ARG A 72 15.003 -0.789 4.595 1.00 0.00 N ATOM 1121 CZ ARG A 72 15.993 -1.546 4.120 1.00 0.00 C ATOM 1122 NH1 ARG A 72 16.312 -1.519 2.826 1.00 0.00 N ATOM 1123 NH2 ARG A 72 16.631 -2.350 4.961 1.00 0.00 N ATOM 0 H ARG A 72 10.532 1.833 4.646 1.00 0.00 H new ATOM 0 HA ARG A 72 11.103 2.025 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.420 1.652 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.010 2.979 3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.396 1.702 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.813 1.141 5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.031 -0.919 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.174 -0.300 2.740 1.00 0.00 H new ATOM 0 HE ARG A 72 15.019 -0.557 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.797 -0.914 2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.071 -2.103 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.360 -2.378 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.392 -2.940 4.624 1.00 0.00 H new ATOM 1137 N LEU A 73 11.087 -0.546 1.633 1.00 0.00 N ATOM 1138 CA LEU A 73 10.726 -1.968 1.599 1.00 0.00 C ATOM 1139 C LEU A 73 11.829 -2.798 0.969 1.00 0.00 C ATOM 1140 O LEU A 73 12.424 -3.635 1.650 1.00 0.00 O ATOM 1141 CB LEU A 73 9.342 -2.174 0.946 1.00 0.00 C ATOM 1142 CG LEU A 73 8.664 -3.518 1.252 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.813 -4.003 2.698 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.179 -3.344 0.942 1.00 0.00 C ATOM 0 H LEU A 73 11.334 -0.155 0.724 1.00 0.00 H new ATOM 0 HA LEU A 73 10.630 -2.330 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.682 -1.370 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.451 -2.079 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 73 9.154 -4.277 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.302 -4.958 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.870 -4.126 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.373 -3.270 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.653 -4.277 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.767 -2.552 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.055 -3.079 -0.108 1.00 0.00 H new ATOM 1156 N GLU A 74 12.095 -2.557 -0.312 1.00 0.00 N ATOM 1157 CA GLU A 74 13.117 -3.266 -1.073 1.00 0.00 C ATOM 1158 C GLU A 74 14.414 -2.454 -1.130 1.00 0.00 C ATOM 1159 O GLU A 74 15.504 -3.022 -1.232 1.00 0.00 O ATOM 1160 CB GLU A 74 12.560 -3.514 -2.483 1.00 0.00 C ATOM 1161 CG GLU A 74 13.537 -4.122 -3.502 1.00 0.00 C ATOM 1162 CD GLU A 74 14.250 -5.398 -3.041 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.799 -6.129 -2.138 1.00 0.00 O ATOM 1164 OE2 GLU A 74 15.318 -5.730 -3.613 1.00 0.00 O ATOM 0 H GLU A 74 11.598 -1.853 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 74 13.357 -4.214 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.697 -4.175 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.198 -2.566 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.990 -4.341 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.290 -3.374 -3.751 1.00 0.00 H new ATOM 1171 N GLY A 75 14.288 -1.126 -1.107 1.00 0.00 N ATOM 1172 CA GLY A 75 15.340 -0.194 -1.448 1.00 0.00 C ATOM 1173 C GLY A 75 15.431 0.903 -0.399 1.00 0.00 C ATOM 1174 O GLY A 75 15.347 0.618 0.799 1.00 0.00 O ATOM 0 H GLY A 75 13.418 -0.664 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.292 -0.719 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.144 0.244 -2.427 1.00 0.00 H new ATOM 1178 N GLU A 76 15.658 2.138 -0.856 1.00 0.00 N ATOM 1179 CA GLU A 76 15.716 3.326 -0.009 1.00 0.00 C ATOM 1180 C GLU A 76 14.323 3.753 0.462 1.00 0.00 C ATOM 1181 O GLU A 76 13.308 3.217 0.002 1.00 0.00 O ATOM 1182 CB GLU A 76 16.435 4.469 -0.746 1.00 0.00 C ATOM 1183 CG GLU A 76 15.615 5.124 -1.874 1.00 0.00 C ATOM 1184 CD GLU A 76 16.427 6.178 -2.632 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.279 6.858 -2.017 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.289 6.260 -3.878 1.00 0.00 O ATOM 0 H GLU A 76 15.809 2.340 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 76 16.289 3.078 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.707 5.236 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.364 4.084 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.277 4.356 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.723 5.587 -1.452 1.00 0.00 H new ATOM 1193 N GLY A 77 14.281 4.727 1.373 1.00 0.00 N ATOM 1194 CA GLY A 77 13.065 5.249 1.963 1.00 0.00 C ATOM 1195 C GLY A 77 12.631 6.564 1.345 1.00 0.00 C ATOM 1196 O GLY A 77 13.381 7.200 0.603 1.00 0.00 O ATOM 0 H GLY A 77 15.123 5.183 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.266 4.517 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.216 5.388 3.033 1.00 0.00 H new ATOM 1200 N PHE A 78 11.421 6.993 1.697 1.00 0.00 N ATOM 1201 CA PHE A 78 10.876 8.303 1.366 1.00 0.00 C ATOM 1202 C PHE A 78 10.191 8.883 2.608 1.00 0.00 C ATOM 1203 O PHE A 78 9.787 8.111 3.481 1.00 0.00 O ATOM 1204 CB PHE A 78 9.900 8.194 0.177 1.00 0.00 C ATOM 1205 CG PHE A 78 10.604 8.281 -1.162 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.307 7.172 -1.669 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.629 9.500 -1.867 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.043 7.285 -2.859 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.357 9.610 -3.064 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.065 8.502 -3.559 1.00 0.00 C ATOM 0 H PHE A 78 10.774 6.419 2.237 1.00 0.00 H new ATOM 0 HA PHE A 78 11.679 8.975 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.361 7.249 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.158 8.990 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.280 6.231 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.087 10.353 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.593 6.435 -3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.372 10.546 -3.603 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.626 8.586 -4.478 1.00 0.00 H new ATOM 1220 N PRO A 79 10.003 10.214 2.670 1.00 0.00 N ATOM 1221 CA PRO A 79 9.370 10.911 3.791 1.00 0.00 C ATOM 1222 C PRO A 79 7.860 10.673 3.903 1.00 0.00 C ATOM 1223 O PRO A 79 7.263 11.050 4.915 1.00 0.00 O ATOM 1224 CB PRO A 79 9.667 12.396 3.557 1.00 0.00 C ATOM 1225 CG PRO A 79 9.838 12.505 2.049 1.00 0.00 C ATOM 1226 CD PRO A 79 10.465 11.171 1.673 1.00 0.00 C ATOM 0 HA PRO A 79 9.770 10.535 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.852 13.027 3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.567 12.711 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.883 12.657 1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.480 13.343 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.163 10.867 0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.553 11.238 1.671 1.00 0.00 H new ATOM 1234 N SER A 80 7.230 10.060 2.899 1.00 0.00 N ATOM 1235 CA SER A 80 5.801 9.782 2.852 1.00 0.00 C ATOM 1236 C SER A 80 5.605 8.378 2.283 1.00 0.00 C ATOM 1237 O SER A 80 6.451 7.874 1.541 1.00 0.00 O ATOM 1238 CB SER A 80 5.119 10.851 2.000 1.00 0.00 C ATOM 1239 OG SER A 80 5.475 12.159 2.413 1.00 0.00 O ATOM 0 H SER A 80 7.723 9.733 2.068 1.00 0.00 H new ATOM 0 HA SER A 80 5.352 9.814 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.394 10.713 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.037 10.731 2.064 1.00 0.00 H new ATOM 0 HG SER A 80 5.021 12.816 1.845 1.00 0.00 H new ATOM 1245 N ILE A 81 4.505 7.739 2.669 1.00 0.00 N ATOM 1246 CA ILE A 81 4.089 6.435 2.160 1.00 0.00 C ATOM 1247 C ILE A 81 3.711 6.582 0.678 1.00 0.00 C ATOM 1248 O ILE A 81 4.191 5.774 -0.117 1.00 0.00 O ATOM 1249 CB ILE A 81 2.963 5.847 3.054 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.544 5.504 4.447 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.271 4.603 2.466 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.512 5.329 5.568 1.00 0.00 C ATOM 0 H ILE A 81 3.862 8.123 3.362 1.00 0.00 H new ATOM 0 HA ILE A 81 4.903 5.711 2.208 1.00 0.00 H new ATOM 0 HB ILE A 81 2.194 6.616 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.123 4.584 4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.238 6.293 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.499 4.257 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.817 4.858 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.007 3.812 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.024 5.091 6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.947 6.253 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.830 4.518 5.312 1.00 0.00 H new ATOM 1264 N PRO A 82 2.901 7.579 0.253 1.00 0.00 N ATOM 1265 CA PRO A 82 2.444 7.653 -1.134 1.00 0.00 C ATOM 1266 C PRO A 82 3.585 7.919 -2.113 1.00 0.00 C ATOM 1267 O PRO A 82 3.552 7.429 -3.242 1.00 0.00 O ATOM 1268 CB PRO A 82 1.382 8.761 -1.172 1.00 0.00 C ATOM 1269 CG PRO A 82 1.675 9.613 0.054 1.00 0.00 C ATOM 1270 CD PRO A 82 2.255 8.622 1.041 1.00 0.00 C ATOM 0 HA PRO A 82 2.028 6.698 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.453 9.347 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.375 8.346 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.379 10.414 -0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.771 10.084 0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.972 9.108 1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.473 8.202 1.673 1.00 0.00 H new ATOM 1278 N LEU A 83 4.616 8.630 -1.648 1.00 0.00 N ATOM 1279 CA LEU A 83 5.817 8.924 -2.411 1.00 0.00 C ATOM 1280 C LEU A 83 6.570 7.625 -2.709 1.00 0.00 C ATOM 1281 O LEU A 83 7.158 7.483 -3.775 1.00 0.00 O ATOM 1282 CB LEU A 83 6.685 9.936 -1.633 1.00 0.00 C ATOM 1283 CG LEU A 83 6.328 11.425 -1.876 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.921 11.877 -1.467 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.345 12.296 -1.122 1.00 0.00 C ATOM 0 H LEU A 83 4.632 9.023 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 83 5.556 9.377 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.596 9.725 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.729 9.779 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 83 6.358 11.542 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.800 12.937 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.179 11.303 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.782 11.713 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.111 13.349 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.298 12.070 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.348 12.088 -1.493 1.00 0.00 H new ATOM 1297 N LEU A 84 6.553 6.667 -1.777 1.00 0.00 N ATOM 1298 CA LEU A 84 7.247 5.391 -1.906 1.00 0.00 C ATOM 1299 C LEU A 84 6.473 4.448 -2.831 1.00 0.00 C ATOM 1300 O LEU A 84 7.092 3.723 -3.610 1.00 0.00 O ATOM 1301 CB LEU A 84 7.396 4.804 -0.490 1.00 0.00 C ATOM 1302 CG LEU A 84 8.464 3.724 -0.233 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.326 2.450 -1.050 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.880 4.237 -0.455 1.00 0.00 C ATOM 0 H LEU A 84 6.046 6.763 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 84 8.231 5.527 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.597 5.632 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.431 4.385 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 84 8.284 3.478 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.129 1.761 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.364 1.984 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.386 2.690 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.592 3.435 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.987 4.575 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.076 5.069 0.222 1.00 0.00 H new ATOM 1316 N ILE A 85 5.133 4.459 -2.760 1.00 0.00 N ATOM 1317 CA ILE A 85 4.273 3.573 -3.549 1.00 0.00 C ATOM 1318 C ILE A 85 4.651 3.643 -5.027 1.00 0.00 C ATOM 1319 O ILE A 85 4.688 2.604 -5.678 1.00 0.00 O ATOM 1320 CB ILE A 85 2.770 3.894 -3.330 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.267 3.548 -1.912 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.859 3.215 -4.372 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.364 2.078 -1.494 1.00 0.00 C ATOM 0 H ILE A 85 4.615 5.089 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 85 4.432 2.551 -3.205 1.00 0.00 H new ATOM 0 HB ILE A 85 2.706 4.975 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.830 4.145 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.225 3.857 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.820 3.474 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.131 3.557 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.981 2.134 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.981 1.962 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.775 1.466 -2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.406 1.758 -1.527 1.00 0.00 H new ATOM 1335 N ASP A 86 4.924 4.835 -5.559 1.00 0.00 N ATOM 1336 CA ASP A 86 5.176 5.010 -6.989 1.00 0.00 C ATOM 1337 C ASP A 86 6.383 4.188 -7.420 1.00 0.00 C ATOM 1338 O ASP A 86 6.352 3.510 -8.445 1.00 0.00 O ATOM 1339 CB ASP A 86 5.411 6.494 -7.281 1.00 0.00 C ATOM 1340 CG ASP A 86 5.556 6.804 -8.772 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.581 6.624 -9.534 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.619 7.316 -9.184 1.00 0.00 O ATOM 0 H ASP A 86 4.976 5.698 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 86 4.310 4.663 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.580 7.072 -6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.311 6.821 -6.760 1.00 0.00 H new ATOM 1347 N HIS A 87 7.444 4.194 -6.611 1.00 0.00 N ATOM 1348 CA HIS A 87 8.662 3.476 -6.937 1.00 0.00 C ATOM 1349 C HIS A 87 8.497 1.958 -6.787 1.00 0.00 C ATOM 1350 O HIS A 87 9.352 1.240 -7.298 1.00 0.00 O ATOM 1351 CB HIS A 87 9.856 3.978 -6.114 1.00 0.00 C ATOM 1352 CG HIS A 87 10.235 5.419 -6.371 1.00 0.00 C ATOM 1353 ND1 HIS A 87 11.386 5.860 -6.995 1.00 0.00 N ATOM 1354 CD2 HIS A 87 9.506 6.527 -6.028 1.00 0.00 C ATOM 1355 CE1 HIS A 87 11.346 7.201 -7.018 1.00 0.00 C ATOM 1356 NE2 HIS A 87 10.201 7.652 -6.481 1.00 0.00 N ATOM 0 H HIS A 87 7.477 4.693 -5.722 1.00 0.00 H new ATOM 0 HA HIS A 87 8.869 3.681 -7.987 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.626 3.860 -5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.718 3.346 -6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.563 6.531 -5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.128 7.832 -7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.898 8.624 -6.416 1.00 0.00 H new ATOM 1364 N LEU A 88 7.412 1.434 -6.188 1.00 0.00 N ATOM 1365 CA LEU A 88 7.045 0.034 -6.018 1.00 0.00 C ATOM 1366 C LEU A 88 5.896 -0.418 -6.925 1.00 0.00 C ATOM 1367 O LEU A 88 5.669 -1.620 -7.073 1.00 0.00 O ATOM 1368 CB LEU A 88 6.583 -0.115 -4.592 1.00 0.00 C ATOM 1369 CG LEU A 88 7.742 -0.077 -3.599 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.996 -1.520 -3.146 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.124 0.501 -3.939 1.00 0.00 C ATOM 0 H LEU A 88 6.709 2.047 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 88 7.911 -0.576 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.879 0.683 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.045 -1.057 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 88 7.363 0.654 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.820 -1.538 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.098 -1.916 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.251 -2.133 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.778 0.415 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.554 -0.052 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.022 1.551 -4.214 1.00 0.00 H new ATOM 1383 N LEU A 89 5.204 0.527 -7.558 1.00 0.00 N ATOM 1384 CA LEU A 89 4.255 0.264 -8.627 1.00 0.00 C ATOM 1385 C LEU A 89 5.006 0.257 -9.940 1.00 0.00 C ATOM 1386 O LEU A 89 4.901 -0.671 -10.736 1.00 0.00 O ATOM 1387 CB LEU A 89 3.165 1.354 -8.639 1.00 0.00 C ATOM 1388 CG LEU A 89 1.755 0.771 -8.512 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.867 1.673 -7.657 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.068 0.531 -9.849 1.00 0.00 C ATOM 0 H LEU A 89 5.293 1.518 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 89 3.772 -0.701 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.342 2.050 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.237 1.926 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 89 1.888 -0.199 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.129 1.237 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.298 1.768 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.798 2.658 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.074 0.117 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.981 1.474 -10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.657 -0.171 -10.440 1.00 0.00 H new ATOM 1402 N SER A 90 5.745 1.326 -10.202 1.00 0.00 N ATOM 1403 CA SER A 90 6.049 1.693 -11.570 1.00 0.00 C ATOM 1404 C SER A 90 7.373 1.084 -12.045 1.00 0.00 C ATOM 1405 O SER A 90 7.756 1.274 -13.202 1.00 0.00 O ATOM 1406 CB SER A 90 5.962 3.218 -11.697 1.00 0.00 C ATOM 1407 OG SER A 90 4.683 3.644 -11.243 1.00 0.00 O ATOM 0 H SER A 90 6.139 1.945 -9.493 1.00 0.00 H new ATOM 0 HA SER A 90 5.312 1.268 -12.251 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.748 3.691 -11.109 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.114 3.520 -12.733 1.00 0.00 H new ATOM 0 HG SER A 90 4.617 4.619 -11.318 1.00 0.00 H new ATOM 1413 N THR A 91 8.036 0.311 -11.181 1.00 0.00 N ATOM 1414 CA THR A 91 9.240 -0.475 -11.443 1.00 0.00 C ATOM 1415 C THR A 91 8.951 -1.982 -11.253 1.00 0.00 C ATOM 1416 O THR A 91 9.611 -2.802 -11.890 1.00 0.00 O ATOM 1417 CB THR A 91 10.448 0.066 -10.625 1.00 0.00 C ATOM 1418 OG1 THR A 91 10.559 -0.458 -9.323 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.461 1.588 -10.421 1.00 0.00 C ATOM 0 H THR A 91 7.723 0.212 -10.215 1.00 0.00 H new ATOM 0 HA THR A 91 9.535 -0.363 -12.486 1.00 0.00 H new ATOM 0 HB THR A 91 11.272 -0.258 -11.261 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.123 0.148 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.339 1.870 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.492 2.085 -11.391 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.561 1.891 -9.887 1.00 0.00 H new ATOM 1427 N GLN A 92 7.879 -2.338 -10.510 1.00 0.00 N ATOM 1428 CA GLN A 92 7.462 -3.694 -10.144 1.00 0.00 C ATOM 1429 C GLN A 92 8.414 -4.291 -9.103 1.00 0.00 C ATOM 1430 O GLN A 92 8.801 -5.456 -9.201 1.00 0.00 O ATOM 1431 CB GLN A 92 7.254 -4.598 -11.383 1.00 0.00 C ATOM 1432 CG GLN A 92 6.199 -4.052 -12.354 1.00 0.00 C ATOM 1433 CD GLN A 92 4.816 -4.290 -11.772 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.301 -5.397 -11.886 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.222 -3.300 -11.121 1.00 0.00 N ATOM 0 H GLN A 92 7.247 -1.634 -10.130 1.00 0.00 H new ATOM 0 HA GLN A 92 6.481 -3.633 -9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.202 -4.707 -11.909 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.956 -5.593 -11.054 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.358 -2.987 -12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.289 -4.544 -13.322 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.680 -2.392 -11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.307 -3.446 -10.695 1.00 0.00 H new ATOM 1444 N GLN A 93 8.854 -3.475 -8.143 1.00 0.00 N ATOM 1445 CA GLN A 93 9.784 -3.936 -7.115 1.00 0.00 C ATOM 1446 C GLN A 93 9.056 -4.875 -6.137 1.00 0.00 C ATOM 1447 O GLN A 93 7.894 -4.626 -5.804 1.00 0.00 O ATOM 1448 CB GLN A 93 10.449 -2.760 -6.379 1.00 0.00 C ATOM 1449 CG GLN A 93 11.852 -2.484 -6.940 1.00 0.00 C ATOM 1450 CD GLN A 93 12.427 -1.166 -6.427 1.00 0.00 C ATOM 1451 OE1 GLN A 93 12.658 -0.963 -5.239 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.667 -0.227 -7.321 1.00 0.00 N ATOM 0 H GLN A 93 8.582 -2.496 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 93 10.586 -4.492 -7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.831 -1.868 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.516 -2.984 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.519 -3.301 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.808 -2.460 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.473 -0.400 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.046 0.673 -7.026 1.00 0.00 H new ATOM 1461 N PRO A 94 9.729 -5.932 -5.650 1.00 0.00 N ATOM 1462 CA PRO A 94 9.142 -6.903 -4.742 1.00 0.00 C ATOM 1463 C PRO A 94 8.909 -6.317 -3.343 1.00 0.00 C ATOM 1464 O PRO A 94 9.677 -5.485 -2.868 1.00 0.00 O ATOM 1465 CB PRO A 94 10.127 -8.077 -4.696 1.00 0.00 C ATOM 1466 CG PRO A 94 11.469 -7.406 -4.990 1.00 0.00 C ATOM 1467 CD PRO A 94 11.089 -6.310 -5.984 1.00 0.00 C ATOM 0 HA PRO A 94 8.158 -7.216 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.125 -8.568 -3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.884 -8.838 -5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.922 -6.995 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.187 -8.107 -5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.763 -5.457 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.154 -6.672 -7.010 1.00 0.00 H new ATOM 1475 N LEU A 95 7.918 -6.840 -2.618 1.00 0.00 N ATOM 1476 CA LEU A 95 7.546 -6.374 -1.284 1.00 0.00 C ATOM 1477 C LEU A 95 8.188 -7.170 -0.154 1.00 0.00 C ATOM 1478 O LEU A 95 8.252 -6.682 0.973 1.00 0.00 O ATOM 1479 CB LEU A 95 6.032 -6.440 -1.085 1.00 0.00 C ATOM 1480 CG LEU A 95 5.180 -5.678 -2.108 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.741 -5.729 -1.618 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.626 -4.235 -2.318 1.00 0.00 C ATOM 0 H LEU A 95 7.342 -7.614 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 95 7.911 -5.348 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.730 -7.487 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.800 -6.055 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 95 5.292 -6.154 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.099 -5.197 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.418 -6.767 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.674 -5.260 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.979 -3.758 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.563 -3.694 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.655 -4.221 -2.676 1.00 0.00 H new ATOM 1494 N THR A 96 8.648 -8.395 -0.391 1.00 0.00 N ATOM 1495 CA THR A 96 9.524 -9.085 0.538 1.00 0.00 C ATOM 1496 C THR A 96 10.379 -10.008 -0.315 1.00 0.00 C ATOM 1497 O THR A 96 9.904 -10.550 -1.320 1.00 0.00 O ATOM 1498 CB THR A 96 8.711 -9.803 1.641 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.405 -10.891 2.204 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.348 -10.325 1.180 1.00 0.00 C ATOM 0 H THR A 96 8.423 -8.931 -1.229 1.00 0.00 H new ATOM 0 HA THR A 96 10.170 -8.406 1.094 1.00 0.00 H new ATOM 0 HB THR A 96 8.557 -9.019 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.851 -11.310 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.845 -10.814 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.740 -9.492 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.488 -11.041 0.370 1.00 0.00 H new ATOM 1508 N LYS A 97 11.628 -10.213 0.107 1.00 0.00 N ATOM 1509 CA LYS A 97 12.571 -11.107 -0.559 1.00 0.00 C ATOM 1510 C LYS A 97 12.105 -12.553 -0.589 1.00 0.00 C ATOM 1511 O LYS A 97 12.675 -13.348 -1.331 1.00 0.00 O ATOM 1512 CB LYS A 97 13.932 -11.001 0.137 1.00 0.00 C ATOM 1513 CG LYS A 97 14.608 -9.641 -0.092 1.00 0.00 C ATOM 1514 CD LYS A 97 15.288 -9.534 -1.457 1.00 0.00 C ATOM 1515 CE LYS A 97 14.329 -9.107 -2.569 1.00 0.00 C ATOM 1516 NZ LYS A 97 15.036 -8.479 -3.697 1.00 0.00 N ATOM 0 H LYS A 97 12.016 -9.756 0.932 1.00 0.00 H new ATOM 0 HA LYS A 97 12.646 -10.791 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.802 -11.162 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.585 -11.793 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.863 -8.851 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.348 -9.473 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.106 -8.816 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.728 -10.497 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.778 -9.977 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.596 -8.408 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.375 -8.344 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.414 -7.557 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.819 -9.092 -4.001 1.00 0.00 H new ATOM 1530 N LYS A 98 11.103 -12.907 0.209 1.00 0.00 N ATOM 1531 CA LYS A 98 10.468 -14.203 0.135 1.00 0.00 C ATOM 1532 C LYS A 98 9.444 -14.130 -0.975 1.00 0.00 C ATOM 1533 O LYS A 98 9.627 -14.749 -2.021 1.00 0.00 O ATOM 1534 CB LYS A 98 9.817 -14.565 1.473 1.00 0.00 C ATOM 1535 CG LYS A 98 10.861 -14.739 2.583 1.00 0.00 C ATOM 1536 CD LYS A 98 11.021 -13.430 3.362 1.00 0.00 C ATOM 1537 CE LYS A 98 12.214 -13.420 4.323 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.212 -14.592 5.220 1.00 0.00 N ATOM 0 H LYS A 98 10.712 -12.295 0.926 1.00 0.00 H new ATOM 0 HA LYS A 98 11.199 -14.984 -0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.111 -13.785 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.246 -15.487 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.556 -15.539 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.817 -15.034 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.131 -12.609 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.109 -13.242 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.141 -13.404 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.192 -12.508 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.954 -14.479 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.286 -14.671 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.395 -15.453 4.666 1.00 0.00 H new ATOM 1552 N SER A 99 8.359 -13.399 -0.720 1.00 0.00 N ATOM 1553 CA SER A 99 7.109 -13.624 -1.415 1.00 0.00 C ATOM 1554 C SER A 99 7.088 -13.008 -2.818 1.00 0.00 C ATOM 1555 O SER A 99 6.244 -13.369 -3.640 1.00 0.00 O ATOM 1556 CB SER A 99 5.948 -13.110 -0.561 1.00 0.00 C ATOM 1557 OG SER A 99 6.164 -13.389 0.811 1.00 0.00 O ATOM 0 H SER A 99 8.329 -12.645 -0.033 1.00 0.00 H new ATOM 0 HA SER A 99 7.000 -14.698 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.835 -12.035 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.018 -13.575 -0.888 1.00 0.00 H new ATOM 0 HG SER A 99 5.410 -13.050 1.337 1.00 0.00 H new ATOM 1563 N GLY A 100 7.964 -12.034 -3.089 1.00 0.00 N ATOM 1564 CA GLY A 100 8.091 -11.383 -4.387 1.00 0.00 C ATOM 1565 C GLY A 100 6.837 -10.660 -4.872 1.00 0.00 C ATOM 1566 O GLY A 100 6.773 -10.340 -6.058 1.00 0.00 O ATOM 0 H GLY A 100 8.616 -11.672 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.910 -10.665 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.369 -12.133 -5.127 1.00 0.00 H new ATOM 1570 N VAL A 101 5.858 -10.394 -3.996 1.00 0.00 N ATOM 1571 CA VAL A 101 4.682 -9.586 -4.308 1.00 0.00 C ATOM 1572 C VAL A 101 5.133 -8.283 -4.953 1.00 0.00 C ATOM 1573 O VAL A 101 6.154 -7.765 -4.521 1.00 0.00 O ATOM 1574 CB VAL A 101 3.900 -9.298 -3.017 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.562 -8.612 -3.286 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.709 -10.530 -2.124 1.00 0.00 C ATOM 0 H VAL A 101 5.866 -10.742 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 101 4.032 -10.123 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 101 4.530 -8.604 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.049 -8.431 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.735 -7.663 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.945 -9.252 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.149 -10.250 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.159 -11.295 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.683 -10.922 -1.832 1.00 0.00 H new ATOM 1586 N VAL A 102 4.380 -7.710 -5.886 1.00 0.00 N ATOM 1587 CA VAL A 102 4.633 -6.371 -6.415 1.00 0.00 C ATOM 1588 C VAL A 102 3.335 -5.555 -6.270 1.00 0.00 C ATOM 1589 O VAL A 102 2.265 -6.137 -6.065 1.00 0.00 O ATOM 1590 CB VAL A 102 5.179 -6.477 -7.861 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.270 -7.549 -8.033 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.079 -6.613 -8.917 1.00 0.00 C ATOM 0 H VAL A 102 3.568 -8.166 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 102 5.406 -5.841 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 102 5.664 -5.517 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.604 -7.565 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.114 -7.316 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.866 -8.526 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.531 -6.682 -9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.495 -7.512 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.426 -5.741 -8.877 1.00 0.00 H new ATOM 1602 N LEU A 103 3.392 -4.221 -6.353 1.00 0.00 N ATOM 1603 CA LEU A 103 2.188 -3.406 -6.451 1.00 0.00 C ATOM 1604 C LEU A 103 1.773 -3.359 -7.918 1.00 0.00 C ATOM 1605 O LEU A 103 2.636 -3.233 -8.786 1.00 0.00 O ATOM 1606 CB LEU A 103 2.440 -1.983 -5.939 1.00 0.00 C ATOM 1607 CG LEU A 103 2.991 -1.881 -4.513 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.016 -0.412 -4.094 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.167 -2.669 -3.495 1.00 0.00 C ATOM 0 H LEU A 103 4.262 -3.688 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 103 1.401 -3.844 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.139 -1.491 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.504 -1.427 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 103 3.992 -2.312 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.407 -0.330 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.654 0.150 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.005 -0.007 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.608 -2.557 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.145 -2.290 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.159 -3.723 -3.771 1.00 0.00 H new ATOM 1621 N HIS A 104 0.472 -3.409 -8.212 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.004 -3.417 -9.596 1.00 0.00 C ATOM 1623 C HIS A 104 -1.274 -2.592 -9.755 1.00 0.00 C ATOM 1624 O HIS A 104 -1.366 -1.805 -10.697 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.244 -4.865 -10.054 1.00 0.00 C ATOM 1626 CG HIS A 104 0.444 -5.295 -11.326 1.00 0.00 C ATOM 1627 ND1 HIS A 104 0.887 -4.495 -12.355 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.680 -6.594 -11.685 1.00 0.00 C ATOM 1629 CE1 HIS A 104 1.397 -5.295 -13.305 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.279 -6.590 -12.954 1.00 0.00 N ATOM 0 H HIS A 104 -0.269 -3.444 -7.512 1.00 0.00 H new ATOM 0 HA HIS A 104 0.763 -2.962 -10.223 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.073 -5.533 -9.253 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.317 -5.008 -10.182 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.446 -7.468 -11.096 1.00 0.00 H new ATOM 0 HE1 HIS A 104 1.842 -4.947 -14.226 1.00 0.00 H new ATOM 0 HE2 HIS A 104 1.567 -7.402 -13.500 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.250 -2.767 -8.861 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.537 -2.088 -8.938 1.00 0.00 C ATOM 1640 C ARG A 105 -3.901 -1.494 -7.588 1.00 0.00 C ATOM 1641 O ARG A 105 -3.647 -2.099 -6.556 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.623 -3.067 -9.401 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.951 -2.384 -9.767 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.852 -1.732 -11.144 1.00 0.00 C ATOM 1645 NE ARG A 105 -7.057 -0.963 -11.483 1.00 0.00 N ATOM 1646 CZ ARG A 105 -7.351 -0.518 -12.705 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -6.564 -0.800 -13.740 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -8.440 0.218 -12.879 1.00 0.00 N ATOM 0 H ARG A 105 -2.164 -3.390 -8.058 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.464 -1.278 -9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.257 -3.619 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.804 -3.796 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.758 -3.117 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.199 -1.632 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.984 -1.074 -11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.691 -2.502 -11.898 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.714 -0.755 -10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.724 -1.363 -13.604 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.800 -0.453 -14.670 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.040 0.437 -12.084 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.678 0.565 -13.808 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.517 -0.320 -7.587 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.955 0.362 -6.378 1.00 0.00 C ATOM 1664 C ALA A 106 -6.479 0.357 -6.323 1.00 0.00 C ATOM 1665 O ALA A 106 -7.137 0.669 -7.318 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.398 1.785 -6.373 1.00 0.00 C ATOM 0 H ALA A 106 -4.730 0.194 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.581 -0.152 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.723 2.300 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.309 1.749 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.764 2.322 -7.248 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.036 0.014 -5.165 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.461 0.091 -4.870 1.00 0.00 C ATOM 1674 C VAL A 107 -8.781 1.543 -4.483 1.00 0.00 C ATOM 1675 O VAL A 107 -8.080 2.106 -3.652 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.791 -0.857 -3.699 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.303 -1.007 -3.494 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.223 -2.270 -3.877 1.00 0.00 C ATOM 0 H VAL A 107 -6.487 -0.337 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.055 -0.206 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.323 -0.385 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.492 -1.683 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.739 -0.032 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.754 -1.413 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.494 -2.882 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.634 -2.716 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.137 -2.218 -3.958 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.836 2.159 -5.026 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.311 3.466 -4.608 1.00 0.00 C ATOM 1690 C PRO A 108 -11.160 3.413 -3.332 1.00 0.00 C ATOM 1691 O PRO A 108 -12.279 2.899 -3.346 1.00 0.00 O ATOM 1692 CB PRO A 108 -11.123 3.958 -5.800 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.694 2.672 -6.413 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.695 1.585 -6.037 1.00 0.00 C ATOM 0 HA PRO A 108 -9.486 4.130 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.916 4.639 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -10.500 4.498 -6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.686 2.452 -6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.794 2.760 -7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.207 0.701 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -10.117 1.270 -6.906 1.00 0.00 H new ATOM 1702 N SER A 109 -10.681 4.021 -2.249 1.00 0.00 N ATOM 1703 CA SER A 109 -11.510 4.281 -1.073 1.00 0.00 C ATOM 1704 C SER A 109 -12.314 5.573 -1.250 1.00 0.00 C ATOM 1705 O SER A 109 -13.465 5.653 -0.809 1.00 0.00 O ATOM 1706 CB SER A 109 -10.632 4.394 0.174 1.00 0.00 C ATOM 1707 OG SER A 109 -11.417 4.181 1.334 1.00 0.00 O ATOM 0 H SER A 109 -9.718 4.345 -2.161 1.00 0.00 H new ATOM 0 HA SER A 109 -12.204 3.449 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.826 3.662 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.167 5.379 0.214 1.00 0.00 H new ATOM 0 HG SER A 109 -11.441 3.224 1.541 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.725 6.570 -1.910 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.217 7.937 -1.966 1.00 0.00 C ATOM 1715 C GLY A 110 -11.349 8.859 -1.104 1.00 0.00 C ATOM 1716 O GLY A 110 -10.570 8.380 -0.272 1.00 0.00 O ATOM 0 H GLY A 110 -10.862 6.438 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.215 8.288 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.250 7.972 -1.619 1.00 0.00 H new ATOM 1720 N PRO A 111 -11.461 10.186 -1.296 1.00 0.00 N ATOM 1721 CA PRO A 111 -10.554 11.141 -0.682 1.00 0.00 C ATOM 1722 C PRO A 111 -10.871 11.387 0.796 1.00 0.00 C ATOM 1723 O PRO A 111 -9.942 11.587 1.578 1.00 0.00 O ATOM 1724 CB PRO A 111 -10.701 12.419 -1.510 1.00 0.00 C ATOM 1725 CG PRO A 111 -12.128 12.343 -2.053 1.00 0.00 C ATOM 1726 CD PRO A 111 -12.341 10.844 -2.252 1.00 0.00 C ATOM 0 HA PRO A 111 -9.530 10.767 -0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.553 13.310 -0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.968 12.459 -2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.849 12.764 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.234 12.893 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -13.382 10.571 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -12.100 10.547 -3.273 1.00 0.00 H new ATOM 1734 N SER A 112 -12.147 11.455 1.190 1.00 0.00 N ATOM 1735 CA SER A 112 -12.511 11.517 2.599 1.00 0.00 C ATOM 1736 C SER A 112 -12.600 10.091 3.127 1.00 0.00 C ATOM 1737 O SER A 112 -13.003 9.180 2.397 1.00 0.00 O ATOM 1738 CB SER A 112 -13.845 12.238 2.800 1.00 0.00 C ATOM 1739 OG SER A 112 -13.922 12.758 4.117 1.00 0.00 O ATOM 0 H SER A 112 -12.941 11.468 0.549 1.00 0.00 H new ATOM 0 HA SER A 112 -11.754 12.081 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.944 13.046 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.671 11.548 2.624 1.00 0.00 H new ATOM 0 HG SER A 112 -14.778 13.219 4.237 1.00 0.00 H new ATOM 1745 N SER A 113 -12.278 9.920 4.406 1.00 0.00 N ATOM 1746 CA SER A 113 -12.237 8.620 5.039 1.00 0.00 C ATOM 1747 C SER A 113 -12.688 8.667 6.495 1.00 0.00 C ATOM 1748 O SER A 113 -12.839 9.747 7.074 1.00 0.00 O ATOM 1749 CB SER A 113 -10.824 8.082 4.868 1.00 0.00 C ATOM 1750 OG SER A 113 -9.786 8.974 5.230 1.00 0.00 O ATOM 0 H SER A 113 -12.038 10.690 5.031 1.00 0.00 H new ATOM 0 HA SER A 113 -12.947 7.943 4.564 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.724 7.175 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.686 7.795 3.825 1.00 0.00 H new ATOM 0 HG SER A 113 -8.918 8.541 5.088 1.00 0.00 H new ATOM 1756 N GLY A 114 -12.899 7.485 7.076 1.00 0.00 N ATOM 1757 CA GLY A 114 -13.637 7.279 8.311 1.00 0.00 C ATOM 1758 C GLY A 114 -15.073 6.984 7.941 1.00 0.00 C ATOM 1759 O GLY A 114 -15.273 6.095 7.088 1.00 0.00 O ATOM 0 H GLY A 114 -12.544 6.615 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.210 6.452 8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.579 8.164 8.944 1.00 0.00 H new TER 1763 GLY A 114