USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 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 20 HIS : no HD1:sc= -1.06 K(o=0.2,f=-1.3) USER MOD Set 1.2: A 109 SER OG : rot 66:sc= 1.26 USER MOD Set 2.1: A 92 GLN : amide:sc= 1.67 K(o=1.2,f=-0.96) USER MOD Set 2.2: A 104 HIS : no HD1:sc= -0.445 X(o=1.2,f=1.7) USER MOD Set 3.1: A 87 HIS : no HE2:sc= 0.277 K(o=3.2,f=0.31) USER MOD Set 3.2: A 91 THR OG1 : rot -93:sc= 1.7 USER MOD Set 3.3: A 93 GLN : amide:sc= 1.2 K(o=3.2,f=0.92) USER MOD Set 4.1: A 52 SER OG : rot 79:sc= 1.32 USER MOD Set 4.2: A 61 HIS : no HD1:sc= 1.02 K(o=2.3,f=-3) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.154 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.056 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.547 K(o=0.55,f=-0.027) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 35 SER OG : rot -43:sc= 0.611 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.167) USER MOD Single : A 47 GLN : amide:sc= 0.191 K(o=0.19,f=-2.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0468 USER MOD Single : A 65 GLN : amide:sc= 0.803 K(o=0.8,f=-0.0058) USER MOD Single : A 66 SER OG : rot 41:sc= 0.165 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 10:sc= 0.214 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00532 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -173:sc= 0.34 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 93:sc= 0.997 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.423 6.332 5.580 1.00 0.00 N ATOM 2 CA GLY A 1 28.930 4.965 5.800 1.00 0.00 C ATOM 3 C GLY A 1 27.603 4.790 5.092 1.00 0.00 C ATOM 4 O GLY A 1 27.009 5.768 4.647 1.00 0.00 O ATOM 0 H1 GLY A 1 30.352 6.295 5.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.753 6.850 4.977 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.514 6.820 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.653 4.241 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.813 4.776 6.867 1.00 0.00 H new ATOM 8 N SER A 2 27.121 3.556 4.987 1.00 0.00 N ATOM 9 CA SER A 2 25.862 3.236 4.324 1.00 0.00 C ATOM 10 C SER A 2 24.621 3.511 5.194 1.00 0.00 C ATOM 11 O SER A 2 23.530 3.042 4.873 1.00 0.00 O ATOM 12 CB SER A 2 25.943 1.795 3.824 1.00 0.00 C ATOM 13 OG SER A 2 27.008 1.677 2.891 1.00 0.00 O ATOM 0 H SER A 2 27.600 2.739 5.365 1.00 0.00 H new ATOM 0 HA SER A 2 25.726 3.905 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.102 1.116 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.002 1.508 3.356 1.00 0.00 H new ATOM 0 HG SER A 2 27.062 0.752 2.571 1.00 0.00 H new ATOM 19 N SER A 3 24.776 4.272 6.281 1.00 0.00 N ATOM 20 CA SER A 3 23.727 4.649 7.217 1.00 0.00 C ATOM 21 C SER A 3 22.564 5.345 6.499 1.00 0.00 C ATOM 22 O SER A 3 22.712 5.852 5.378 1.00 0.00 O ATOM 23 CB SER A 3 24.336 5.603 8.251 1.00 0.00 C ATOM 24 OG SER A 3 25.625 5.174 8.666 1.00 0.00 O ATOM 0 H SER A 3 25.684 4.658 6.540 1.00 0.00 H new ATOM 0 HA SER A 3 23.332 3.753 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.405 6.604 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.678 5.669 9.117 1.00 0.00 H new ATOM 0 HG SER A 3 25.984 5.806 9.323 1.00 0.00 H new ATOM 30 N GLY A 4 21.414 5.424 7.158 1.00 0.00 N ATOM 31 CA GLY A 4 20.226 6.053 6.626 1.00 0.00 C ATOM 32 C GLY A 4 19.103 6.059 7.647 1.00 0.00 C ATOM 33 O GLY A 4 18.214 5.210 7.590 1.00 0.00 O ATOM 0 H GLY A 4 21.286 5.043 8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.456 7.076 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.903 5.525 5.729 1.00 0.00 H new ATOM 37 N SER A 5 19.183 6.956 8.622 1.00 0.00 N ATOM 38 CA SER A 5 18.181 7.126 9.656 1.00 0.00 C ATOM 39 C SER A 5 17.347 8.304 9.183 1.00 0.00 C ATOM 40 O SER A 5 17.824 9.443 9.201 1.00 0.00 O ATOM 41 CB SER A 5 18.831 7.388 11.015 1.00 0.00 C ATOM 42 OG SER A 5 19.631 6.281 11.395 1.00 0.00 O ATOM 0 H SER A 5 19.969 7.600 8.714 1.00 0.00 H new ATOM 0 HA SER A 5 17.571 6.234 9.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.443 8.289 10.966 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.062 7.565 11.766 1.00 0.00 H new ATOM 0 HG SER A 5 20.044 6.459 12.266 1.00 0.00 H new ATOM 48 N SER A 6 16.164 8.009 8.656 1.00 0.00 N ATOM 49 CA SER A 6 15.231 8.992 8.142 1.00 0.00 C ATOM 50 C SER A 6 13.819 8.449 8.334 1.00 0.00 C ATOM 51 O SER A 6 13.638 7.247 8.547 1.00 0.00 O ATOM 52 CB SER A 6 15.476 9.181 6.636 1.00 0.00 C ATOM 53 OG SER A 6 16.837 9.432 6.321 1.00 0.00 O ATOM 0 H SER A 6 15.823 7.051 8.575 1.00 0.00 H new ATOM 0 HA SER A 6 15.359 9.941 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.145 8.288 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.867 10.010 6.276 1.00 0.00 H new ATOM 0 HG SER A 6 16.934 9.542 5.352 1.00 0.00 H new ATOM 59 N GLY A 7 12.815 9.321 8.248 1.00 0.00 N ATOM 60 CA GLY A 7 11.428 8.905 8.362 1.00 0.00 C ATOM 61 C GLY A 7 11.119 8.231 7.029 1.00 0.00 C ATOM 62 O GLY A 7 11.170 8.916 6.000 1.00 0.00 O ATOM 0 H GLY A 7 12.943 10.322 8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.287 8.218 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.771 9.757 8.537 1.00 0.00 H new ATOM 66 N GLU A 8 10.874 6.919 7.044 1.00 0.00 N ATOM 67 CA GLU A 8 10.576 6.053 5.903 1.00 0.00 C ATOM 68 C GLU A 8 9.527 6.653 4.975 1.00 0.00 C ATOM 69 O GLU A 8 9.651 6.549 3.754 1.00 0.00 O ATOM 70 CB GLU A 8 10.074 4.671 6.363 1.00 0.00 C ATOM 71 CG GLU A 8 10.865 4.082 7.534 1.00 0.00 C ATOM 72 CD GLU A 8 10.625 2.578 7.684 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.475 2.144 7.900 1.00 0.00 O ATOM 74 OE2 GLU A 8 11.620 1.824 7.545 1.00 0.00 O ATOM 0 H GLU A 8 10.879 6.396 7.920 1.00 0.00 H new ATOM 0 HA GLU A 8 11.515 5.950 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.026 4.753 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.121 3.980 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.929 4.267 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.581 4.589 8.456 1.00 0.00 H new ATOM 81 N VAL A 9 8.527 7.324 5.548 1.00 0.00 N ATOM 82 CA VAL A 9 7.443 7.945 4.807 1.00 0.00 C ATOM 83 C VAL A 9 7.967 8.874 3.702 1.00 0.00 C ATOM 84 O VAL A 9 7.411 8.927 2.607 1.00 0.00 O ATOM 85 CB VAL A 9 6.497 8.652 5.808 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.150 9.811 6.581 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.246 9.200 5.121 1.00 0.00 C ATOM 0 H VAL A 9 8.452 7.450 6.557 1.00 0.00 H new ATOM 0 HA VAL A 9 6.870 7.182 4.281 1.00 0.00 H new ATOM 0 HB VAL A 9 6.237 7.868 6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.420 10.252 7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.998 9.435 7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.495 10.569 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.610 9.688 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.537 9.922 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.698 8.381 4.655 1.00 0.00 H new ATOM 97 N GLN A 10 9.054 9.603 3.967 1.00 0.00 N ATOM 98 CA GLN A 10 9.638 10.536 3.014 1.00 0.00 C ATOM 99 C GLN A 10 10.298 9.858 1.813 1.00 0.00 C ATOM 100 O GLN A 10 10.549 10.531 0.814 1.00 0.00 O ATOM 101 CB GLN A 10 10.680 11.402 3.700 1.00 0.00 C ATOM 102 CG GLN A 10 10.066 12.305 4.785 1.00 0.00 C ATOM 103 CD GLN A 10 11.173 12.737 5.714 1.00 0.00 C ATOM 104 OE1 GLN A 10 11.607 13.886 5.754 1.00 0.00 O ATOM 105 NE2 GLN A 10 11.757 11.769 6.389 1.00 0.00 N ATOM 0 H GLN A 10 9.553 9.559 4.856 1.00 0.00 H new ATOM 0 HA GLN A 10 8.806 11.133 2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.441 10.764 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.182 12.021 2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.588 13.174 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.294 11.768 5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.385 10.820 6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.582 11.968 6.955 1.00 0.00 H new ATOM 114 N LYS A 11 10.654 8.573 1.894 1.00 0.00 N ATOM 115 CA LYS A 11 11.314 7.886 0.788 1.00 0.00 C ATOM 116 C LYS A 11 10.394 7.767 -0.425 1.00 0.00 C ATOM 117 O LYS A 11 9.175 7.647 -0.259 1.00 0.00 O ATOM 118 CB LYS A 11 11.741 6.472 1.221 1.00 0.00 C ATOM 119 CG LYS A 11 12.766 6.416 2.356 1.00 0.00 C ATOM 120 CD LYS A 11 14.147 6.867 1.880 1.00 0.00 C ATOM 121 CE LYS A 11 15.125 6.694 3.036 1.00 0.00 C ATOM 122 NZ LYS A 11 16.495 7.053 2.642 1.00 0.00 N ATOM 0 H LYS A 11 10.495 7.990 2.716 1.00 0.00 H new ATOM 0 HA LYS A 11 12.188 8.477 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.853 5.921 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.154 5.954 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.437 7.052 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.827 5.399 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.465 6.277 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.118 7.908 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.812 7.316 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.104 5.660 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.134 6.924 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.802 6.443 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.519 8.047 2.337 1.00 0.00 H new ATOM 136 N PRO A 12 10.937 7.805 -1.652 1.00 0.00 N ATOM 137 CA PRO A 12 10.134 7.644 -2.855 1.00 0.00 C ATOM 138 C PRO A 12 9.610 6.205 -2.828 1.00 0.00 C ATOM 139 O PRO A 12 10.255 5.317 -2.270 1.00 0.00 O ATOM 140 CB PRO A 12 11.076 7.931 -4.025 1.00 0.00 C ATOM 141 CG PRO A 12 12.444 7.567 -3.465 1.00 0.00 C ATOM 142 CD PRO A 12 12.343 7.951 -1.992 1.00 0.00 C ATOM 0 HA PRO A 12 9.276 8.311 -2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.826 7.331 -4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.031 8.976 -4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.658 6.505 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.242 8.114 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.966 7.305 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.683 8.974 -1.828 1.00 0.00 H new ATOM 150 N LEU A 13 8.465 5.941 -3.457 1.00 0.00 N ATOM 151 CA LEU A 13 7.877 4.601 -3.460 1.00 0.00 C ATOM 152 C LEU A 13 8.843 3.508 -3.940 1.00 0.00 C ATOM 153 O LEU A 13 8.813 2.410 -3.395 1.00 0.00 O ATOM 154 CB LEU A 13 6.582 4.627 -4.294 1.00 0.00 C ATOM 155 CG LEU A 13 6.038 3.258 -4.775 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.557 3.417 -5.109 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.719 2.767 -6.067 1.00 0.00 C ATOM 0 H LEU A 13 7.926 6.637 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 13 7.647 4.334 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.806 5.113 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.754 5.252 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 13 6.228 2.542 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.156 2.462 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.016 3.741 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.439 4.162 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.298 1.804 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.551 3.491 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.790 2.658 -5.895 1.00 0.00 H new ATOM 169 N HIS A 14 9.702 3.778 -4.929 1.00 0.00 N ATOM 170 CA HIS A 14 10.640 2.770 -5.446 1.00 0.00 C ATOM 171 C HIS A 14 11.735 2.371 -4.444 1.00 0.00 C ATOM 172 O HIS A 14 12.516 1.467 -4.729 1.00 0.00 O ATOM 173 CB HIS A 14 11.229 3.211 -6.788 1.00 0.00 C ATOM 174 CG HIS A 14 11.865 4.571 -6.758 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.058 4.906 -6.158 1.00 0.00 N ATOM 176 CD2 HIS A 14 11.331 5.699 -7.307 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.225 6.228 -6.328 1.00 0.00 C ATOM 178 NE2 HIS A 14 12.198 6.754 -7.014 1.00 0.00 N ATOM 0 H HIS A 14 9.769 4.686 -5.389 1.00 0.00 H new ATOM 0 HA HIS A 14 10.056 1.863 -5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.973 2.480 -7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.439 3.207 -7.539 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.409 5.765 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.071 6.791 -5.962 1.00 0.00 H new ATOM 0 HE2 HIS A 14 12.075 7.733 -7.271 1.00 0.00 H new ATOM 186 N GLU A 15 11.848 3.062 -3.308 1.00 0.00 N ATOM 187 CA GLU A 15 12.814 2.776 -2.248 1.00 0.00 C ATOM 188 C GLU A 15 12.094 2.052 -1.101 1.00 0.00 C ATOM 189 O GLU A 15 12.749 1.653 -0.136 1.00 0.00 O ATOM 190 CB GLU A 15 13.380 4.097 -1.692 1.00 0.00 C ATOM 191 CG GLU A 15 14.407 4.797 -2.590 1.00 0.00 C ATOM 192 CD GLU A 15 15.849 4.357 -2.386 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.241 3.920 -1.282 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.658 4.597 -3.309 1.00 0.00 O ATOM 0 H GLU A 15 11.251 3.861 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 15 13.619 2.162 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.551 4.782 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.843 3.897 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.134 4.623 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.344 5.872 -2.419 1.00 0.00 H new ATOM 201 N GLN A 16 10.764 1.907 -1.168 1.00 0.00 N ATOM 202 CA GLN A 16 9.980 1.281 -0.123 1.00 0.00 C ATOM 203 C GLN A 16 10.099 -0.227 -0.105 1.00 0.00 C ATOM 204 O GLN A 16 9.924 -0.903 -1.119 1.00 0.00 O ATOM 205 CB GLN A 16 8.504 1.678 -0.204 1.00 0.00 C ATOM 206 CG GLN A 16 8.296 3.186 -0.047 1.00 0.00 C ATOM 207 CD GLN A 16 8.689 3.755 1.315 1.00 0.00 C ATOM 208 OE1 GLN A 16 9.161 3.072 2.222 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.532 5.055 1.443 1.00 0.00 N ATOM 0 H GLN A 16 10.208 2.227 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 16 10.402 1.655 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.096 1.355 -1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.947 1.154 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.872 3.699 -0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.246 3.413 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.138 5.599 0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.804 5.519 2.310 1.00 0.00 H new ATOM 218 N LEU A 17 10.315 -0.753 1.094 1.00 0.00 N ATOM 219 CA LEU A 17 10.455 -2.167 1.386 1.00 0.00 C ATOM 220 C LEU A 17 9.273 -2.988 0.866 1.00 0.00 C ATOM 221 O LEU A 17 9.485 -4.105 0.400 1.00 0.00 O ATOM 222 CB LEU A 17 10.701 -2.375 2.893 1.00 0.00 C ATOM 223 CG LEU A 17 9.537 -2.174 3.888 1.00 0.00 C ATOM 224 CD1 LEU A 17 10.069 -2.470 5.298 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.941 -0.761 3.931 1.00 0.00 C ATOM 0 H LEU A 17 10.401 -0.173 1.928 1.00 0.00 H new ATOM 0 HA LEU A 17 11.327 -2.540 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.073 -3.391 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.504 -1.700 3.189 1.00 0.00 H new ATOM 0 HG LEU A 17 8.743 -2.841 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.268 -2.336 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.431 -3.497 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.886 -1.787 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.132 -0.729 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.715 -0.048 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.552 -0.500 2.947 1.00 0.00 H new ATOM 237 N TRP A 18 8.057 -2.438 0.894 1.00 0.00 N ATOM 238 CA TRP A 18 6.831 -3.089 0.443 1.00 0.00 C ATOM 239 C TRP A 18 6.552 -2.957 -1.056 1.00 0.00 C ATOM 240 O TRP A 18 5.506 -3.417 -1.531 1.00 0.00 O ATOM 241 CB TRP A 18 5.671 -2.544 1.281 1.00 0.00 C ATOM 242 CG TRP A 18 5.601 -1.054 1.505 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.797 -0.465 2.706 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.293 0.044 0.582 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.581 0.889 2.605 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.224 1.254 1.331 1.00 0.00 C ATOM 247 CE3 TRP A 18 5.066 0.166 -0.807 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.877 2.484 0.757 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.762 1.409 -1.403 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.633 2.567 -0.618 1.00 0.00 C ATOM 0 H TRP A 18 7.896 -1.494 1.244 1.00 0.00 H new ATOM 0 HA TRP A 18 6.952 -4.162 0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.740 -2.855 0.806 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.708 -3.028 2.257 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.081 -0.982 3.611 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.675 1.543 3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.127 -0.715 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.798 3.366 1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.627 1.470 -2.473 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.350 3.507 -1.069 1.00 0.00 H new ATOM 261 N TYR A 19 7.417 -2.283 -1.816 1.00 0.00 N ATOM 262 CA TYR A 19 7.230 -2.123 -3.246 1.00 0.00 C ATOM 263 C TYR A 19 7.873 -3.322 -3.946 1.00 0.00 C ATOM 264 O TYR A 19 9.048 -3.300 -4.315 1.00 0.00 O ATOM 265 CB TYR A 19 7.769 -0.772 -3.719 1.00 0.00 C ATOM 266 CG TYR A 19 7.581 -0.603 -5.212 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.290 -0.698 -5.764 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.691 -0.422 -6.053 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.111 -0.628 -7.154 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.518 -0.320 -7.444 1.00 0.00 C ATOM 271 CZ TYR A 19 7.225 -0.448 -8.004 1.00 0.00 C ATOM 272 OH TYR A 19 7.020 -0.403 -9.347 1.00 0.00 O ATOM 0 H TYR A 19 8.260 -1.838 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 19 6.171 -2.111 -3.503 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.257 0.032 -3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.827 -0.692 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.435 -0.825 -5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.682 -0.361 -5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.120 -0.712 -7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.370 -0.144 -8.084 1.00 0.00 H new ATOM 0 HH TYR A 19 7.877 -0.274 -9.805 1.00 0.00 H new ATOM 282 N HIS A 20 7.087 -4.382 -4.133 1.00 0.00 N ATOM 283 CA HIS A 20 7.533 -5.623 -4.763 1.00 0.00 C ATOM 284 C HIS A 20 7.698 -5.551 -6.291 1.00 0.00 C ATOM 285 O HIS A 20 8.221 -6.499 -6.871 1.00 0.00 O ATOM 286 CB HIS A 20 6.546 -6.747 -4.422 1.00 0.00 C ATOM 287 CG HIS A 20 6.532 -7.187 -2.978 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.251 -8.227 -2.437 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.760 -6.670 -1.979 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.902 -8.335 -1.144 1.00 0.00 C ATOM 291 NE2 HIS A 20 5.974 -7.422 -0.825 1.00 0.00 N ATOM 0 H HIS A 20 6.108 -4.402 -3.847 1.00 0.00 H new ATOM 0 HA HIS A 20 8.528 -5.816 -4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.542 -6.419 -4.693 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.778 -7.611 -5.044 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.096 -5.823 -2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.313 -9.059 -0.456 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.517 -7.302 0.079 1.00 0.00 H new ATOM 299 N GLY A 21 7.263 -4.485 -6.971 1.00 0.00 N ATOM 300 CA GLY A 21 7.393 -4.386 -8.426 1.00 0.00 C ATOM 301 C GLY A 21 6.108 -4.822 -9.129 1.00 0.00 C ATOM 302 O GLY A 21 5.019 -4.620 -8.599 1.00 0.00 O ATOM 0 H GLY A 21 6.817 -3.678 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.631 -3.359 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.223 -5.007 -8.762 1.00 0.00 H new ATOM 306 N ALA A 22 6.188 -5.362 -10.345 1.00 0.00 N ATOM 307 CA ALA A 22 5.038 -5.806 -11.145 1.00 0.00 C ATOM 308 C ALA A 22 4.587 -7.245 -10.851 1.00 0.00 C ATOM 309 O ALA A 22 3.875 -7.832 -11.673 1.00 0.00 O ATOM 310 CB ALA A 22 5.393 -5.651 -12.630 1.00 0.00 C ATOM 0 H ALA A 22 7.080 -5.509 -10.818 1.00 0.00 H new ATOM 0 HA ALA A 22 4.190 -5.178 -10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.551 -5.976 -13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.615 -4.605 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.266 -6.262 -12.861 1.00 0.00 H new ATOM 316 N ILE A 23 4.976 -7.804 -9.698 1.00 0.00 N ATOM 317 CA ILE A 23 4.663 -9.172 -9.284 1.00 0.00 C ATOM 318 C ILE A 23 3.228 -9.612 -9.621 1.00 0.00 C ATOM 319 O ILE A 23 2.275 -8.849 -9.424 1.00 0.00 O ATOM 320 CB ILE A 23 5.026 -9.429 -7.812 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.299 -8.482 -6.834 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.551 -9.343 -7.644 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.203 -9.099 -5.436 1.00 0.00 C ATOM 0 H ILE A 23 5.534 -7.299 -9.009 1.00 0.00 H new ATOM 0 HA ILE A 23 5.305 -9.812 -9.889 1.00 0.00 H new ATOM 0 HB ILE A 23 4.684 -10.432 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.831 -7.532 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.299 -8.266 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.813 -9.525 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.029 -10.093 -8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.894 -8.351 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.686 -8.409 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.649 -10.036 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.205 -9.291 -5.054 1.00 0.00 H new ATOM 335 N PRO A 24 3.057 -10.845 -10.127 1.00 0.00 N ATOM 336 CA PRO A 24 1.757 -11.359 -10.502 1.00 0.00 C ATOM 337 C PRO A 24 0.920 -11.723 -9.288 1.00 0.00 C ATOM 338 O PRO A 24 1.437 -11.955 -8.194 1.00 0.00 O ATOM 339 CB PRO A 24 2.044 -12.592 -11.357 1.00 0.00 C ATOM 340 CG PRO A 24 3.351 -13.117 -10.772 1.00 0.00 C ATOM 341 CD PRO A 24 4.087 -11.836 -10.392 1.00 0.00 C ATOM 0 HA PRO A 24 1.178 -10.610 -11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.244 -13.329 -11.284 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.147 -12.337 -12.412 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.179 -13.757 -9.907 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.912 -13.706 -11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.713 -11.992 -9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.744 -11.510 -11.198 1.00 0.00 H new ATOM 349 N ARG A 25 -0.385 -11.878 -9.507 1.00 0.00 N ATOM 350 CA ARG A 25 -1.315 -12.236 -8.441 1.00 0.00 C ATOM 351 C ARG A 25 -0.918 -13.511 -7.705 1.00 0.00 C ATOM 352 O ARG A 25 -1.083 -13.574 -6.489 1.00 0.00 O ATOM 353 CB ARG A 25 -2.747 -12.312 -8.979 1.00 0.00 C ATOM 354 CG ARG A 25 -3.029 -13.435 -9.991 1.00 0.00 C ATOM 355 CD ARG A 25 -4.519 -13.503 -10.339 1.00 0.00 C ATOM 356 NE ARG A 25 -5.016 -12.254 -10.930 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.252 -12.033 -11.369 1.00 0.00 C ATOM 358 NH1 ARG A 25 -7.141 -13.014 -11.406 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.581 -10.819 -11.777 1.00 0.00 N ATOM 0 H ARG A 25 -0.823 -11.760 -10.421 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.269 -11.441 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.425 -12.433 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.989 -11.358 -9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.448 -13.266 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.705 -14.390 -9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.689 -14.324 -11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.089 -13.727 -9.438 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.352 -11.484 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.881 -13.950 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.086 -12.833 -11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.891 -10.068 -11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.525 -10.633 -12.116 1.00 0.00 H new ATOM 373 N ALA A 26 -0.369 -14.485 -8.436 1.00 0.00 N ATOM 374 CA ALA A 26 0.061 -15.753 -7.880 1.00 0.00 C ATOM 375 C ALA A 26 1.117 -15.540 -6.796 1.00 0.00 C ATOM 376 O ALA A 26 1.113 -16.268 -5.810 1.00 0.00 O ATOM 377 CB ALA A 26 0.607 -16.635 -9.007 1.00 0.00 C ATOM 0 H ALA A 26 -0.213 -14.406 -9.441 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.790 -16.250 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.932 -17.591 -8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.175 -16.806 -9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.453 -16.137 -9.481 1.00 0.00 H new ATOM 383 N GLU A 27 1.999 -14.554 -6.971 1.00 0.00 N ATOM 384 CA GLU A 27 3.063 -14.244 -6.024 1.00 0.00 C ATOM 385 C GLU A 27 2.522 -13.341 -4.917 1.00 0.00 C ATOM 386 O GLU A 27 2.846 -13.534 -3.749 1.00 0.00 O ATOM 387 CB GLU A 27 4.239 -13.582 -6.758 1.00 0.00 C ATOM 388 CG GLU A 27 5.006 -14.602 -7.615 1.00 0.00 C ATOM 389 CD GLU A 27 6.124 -13.968 -8.443 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.940 -13.210 -7.864 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.167 -14.222 -9.672 1.00 0.00 O ATOM 0 H GLU A 27 1.991 -13.942 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 27 3.425 -15.164 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.868 -12.777 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.916 -13.131 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.432 -15.367 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.307 -15.105 -8.283 1.00 0.00 H new ATOM 398 N VAL A 28 1.675 -12.368 -5.265 1.00 0.00 N ATOM 399 CA VAL A 28 1.069 -11.446 -4.307 1.00 0.00 C ATOM 400 C VAL A 28 0.405 -12.250 -3.192 1.00 0.00 C ATOM 401 O VAL A 28 0.662 -11.988 -2.020 1.00 0.00 O ATOM 402 CB VAL A 28 0.057 -10.543 -5.020 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.852 -9.767 -4.055 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.726 -9.537 -5.955 1.00 0.00 C ATOM 0 H VAL A 28 1.390 -12.199 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 28 1.835 -10.807 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.553 -11.235 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.544 -9.148 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.416 -10.470 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.242 -9.132 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.036 -8.923 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.399 -8.899 -5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.294 -10.071 -6.717 1.00 0.00 H new ATOM 414 N ALA A 29 -0.424 -13.228 -3.566 1.00 0.00 N ATOM 415 CA ALA A 29 -1.169 -14.100 -2.674 1.00 0.00 C ATOM 416 C ALA A 29 -0.312 -14.879 -1.669 1.00 0.00 C ATOM 417 O ALA A 29 -0.879 -15.442 -0.731 1.00 0.00 O ATOM 418 CB ALA A 29 -1.938 -15.085 -3.549 1.00 0.00 C ATOM 0 H ALA A 29 -0.598 -13.438 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.817 -13.468 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.513 -15.761 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.615 -14.537 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.236 -15.661 -4.152 1.00 0.00 H new ATOM 424 N GLU A 30 1.005 -14.965 -1.870 1.00 0.00 N ATOM 425 CA GLU A 30 1.912 -15.681 -0.980 1.00 0.00 C ATOM 426 C GLU A 30 2.427 -14.767 0.133 1.00 0.00 C ATOM 427 O GLU A 30 2.664 -15.207 1.261 1.00 0.00 O ATOM 428 CB GLU A 30 3.165 -16.150 -1.756 1.00 0.00 C ATOM 429 CG GLU A 30 2.852 -16.995 -2.996 1.00 0.00 C ATOM 430 CD GLU A 30 4.052 -17.304 -3.898 1.00 0.00 C ATOM 431 OE1 GLU A 30 5.223 -16.992 -3.580 1.00 0.00 O ATOM 432 OE2 GLU A 30 3.820 -17.933 -4.958 1.00 0.00 O ATOM 0 H GLU A 30 1.474 -14.533 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 30 1.351 -16.520 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.739 -15.275 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.799 -16.729 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.410 -17.937 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.098 -16.477 -3.588 1.00 0.00 H new ATOM 439 N LEU A 31 2.606 -13.483 -0.182 1.00 0.00 N ATOM 440 CA LEU A 31 3.141 -12.466 0.683 1.00 0.00 C ATOM 441 C LEU A 31 2.206 -12.091 1.835 1.00 0.00 C ATOM 442 O LEU A 31 2.666 -12.018 2.971 1.00 0.00 O ATOM 443 CB LEU A 31 3.527 -11.306 -0.245 1.00 0.00 C ATOM 444 CG LEU A 31 4.617 -11.641 -1.285 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.557 -10.610 -2.417 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.993 -11.674 -0.612 1.00 0.00 C ATOM 0 H LEU A 31 2.363 -13.119 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 31 4.018 -12.818 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.634 -10.969 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.872 -10.471 0.365 1.00 0.00 H new ATOM 0 HG LEU A 31 4.443 -12.629 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.324 -10.838 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.575 -10.644 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.730 -9.613 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.755 -11.911 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.206 -10.700 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.998 -12.434 0.169 1.00 0.00 H new ATOM 458 N LEU A 32 0.926 -11.799 1.572 1.00 0.00 N ATOM 459 CA LEU A 32 -0.010 -11.438 2.642 1.00 0.00 C ATOM 460 C LEU A 32 -0.361 -12.702 3.417 1.00 0.00 C ATOM 461 O LEU A 32 -0.629 -13.745 2.807 1.00 0.00 O ATOM 462 CB LEU A 32 -1.315 -10.775 2.148 1.00 0.00 C ATOM 463 CG LEU A 32 -1.196 -9.822 0.944 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.459 -10.584 -0.356 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.210 -8.690 0.989 1.00 0.00 C ATOM 0 H LEU A 32 0.519 -11.806 0.637 1.00 0.00 H new ATOM 0 HA LEU A 32 0.492 -10.696 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.020 -11.565 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.750 -10.220 2.979 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.187 -9.412 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.373 -9.902 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.729 -11.387 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.463 -11.008 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.080 -8.050 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.218 -9.104 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.060 -8.103 1.895 1.00 0.00 H new ATOM 477 N VAL A 33 -0.438 -12.586 4.739 1.00 0.00 N ATOM 478 CA VAL A 33 -0.764 -13.684 5.636 1.00 0.00 C ATOM 479 C VAL A 33 -1.756 -13.278 6.715 1.00 0.00 C ATOM 480 O VAL A 33 -2.644 -14.070 7.031 1.00 0.00 O ATOM 481 CB VAL A 33 0.514 -14.247 6.293 1.00 0.00 C ATOM 482 CG1 VAL A 33 1.273 -15.111 5.291 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.478 -13.197 6.877 1.00 0.00 C ATOM 0 H VAL A 33 -0.271 -11.705 5.225 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.234 -14.456 5.027 1.00 0.00 H new ATOM 0 HB VAL A 33 0.157 -14.827 7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.174 -15.506 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.639 -15.938 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.549 -14.508 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.341 -13.699 7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.810 -12.527 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.965 -12.621 7.647 1.00 0.00 H new ATOM 493 N HIS A 34 -1.690 -12.049 7.233 1.00 0.00 N ATOM 494 CA HIS A 34 -2.566 -11.593 8.302 1.00 0.00 C ATOM 495 C HIS A 34 -3.394 -10.365 7.933 1.00 0.00 C ATOM 496 O HIS A 34 -3.086 -9.623 7.000 1.00 0.00 O ATOM 497 CB HIS A 34 -1.710 -11.414 9.566 1.00 0.00 C ATOM 498 CG HIS A 34 -1.068 -12.706 10.041 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.194 -12.854 10.574 1.00 0.00 N ATOM 500 CD2 HIS A 34 -1.624 -13.958 9.979 1.00 0.00 C ATOM 501 CE1 HIS A 34 0.372 -14.159 10.848 1.00 0.00 C ATOM 502 NE2 HIS A 34 -0.723 -14.869 10.531 1.00 0.00 N ATOM 0 H HIS A 34 -1.024 -11.344 6.918 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.330 -12.346 8.493 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.930 -10.679 9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.332 -11.010 10.364 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.595 -14.198 9.572 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.274 -14.579 11.267 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.867 -15.870 10.666 1.00 0.00 H new ATOM 510 N SER A 35 -4.485 -10.165 8.673 1.00 0.00 N ATOM 511 CA SER A 35 -5.406 -9.061 8.479 1.00 0.00 C ATOM 512 C SER A 35 -4.650 -7.751 8.688 1.00 0.00 C ATOM 513 O SER A 35 -4.052 -7.559 9.753 1.00 0.00 O ATOM 514 CB SER A 35 -6.566 -9.193 9.472 1.00 0.00 C ATOM 515 OG SER A 35 -7.657 -8.406 9.072 1.00 0.00 O ATOM 0 H SER A 35 -4.753 -10.783 9.439 1.00 0.00 H new ATOM 0 HA SER A 35 -5.816 -9.073 7.469 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.872 -10.237 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.237 -8.888 10.465 1.00 0.00 H new ATOM 0 HG SER A 35 -7.335 -7.534 8.763 1.00 0.00 H new ATOM 521 N GLY A 36 -4.674 -6.853 7.700 1.00 0.00 N ATOM 522 CA GLY A 36 -3.997 -5.577 7.790 1.00 0.00 C ATOM 523 C GLY A 36 -2.727 -5.540 6.970 1.00 0.00 C ATOM 524 O GLY A 36 -2.208 -4.438 6.772 1.00 0.00 O ATOM 0 H GLY A 36 -5.166 -6.999 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.668 -4.788 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.759 -5.367 8.833 1.00 0.00 H new ATOM 528 N ASP A 37 -2.239 -6.702 6.527 1.00 0.00 N ATOM 529 CA ASP A 37 -1.041 -6.824 5.712 1.00 0.00 C ATOM 530 C ASP A 37 -1.339 -6.179 4.375 1.00 0.00 C ATOM 531 O ASP A 37 -2.371 -6.495 3.781 1.00 0.00 O ATOM 532 CB ASP A 37 -0.689 -8.291 5.402 1.00 0.00 C ATOM 533 CG ASP A 37 0.075 -9.037 6.486 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.563 -8.401 7.453 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.248 -10.257 6.291 1.00 0.00 O ATOM 0 H ASP A 37 -2.679 -7.599 6.733 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.217 -6.364 6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.614 -8.831 5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.099 -8.317 4.486 1.00 0.00 H new ATOM 540 N PHE A 38 -0.450 -5.308 3.903 1.00 0.00 N ATOM 541 CA PHE A 38 -0.564 -4.633 2.625 1.00 0.00 C ATOM 542 C PHE A 38 0.793 -4.530 1.910 1.00 0.00 C ATOM 543 O PHE A 38 1.855 -4.515 2.534 1.00 0.00 O ATOM 544 CB PHE A 38 -1.184 -3.240 2.857 1.00 0.00 C ATOM 545 CG PHE A 38 -0.246 -2.164 3.368 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.003 -2.027 4.745 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.385 -1.293 2.456 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.901 -1.054 5.204 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.276 -0.313 2.923 1.00 0.00 C ATOM 550 CZ PHE A 38 1.537 -0.194 4.295 1.00 0.00 C ATOM 0 H PHE A 38 0.391 -5.049 4.418 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.211 -5.216 1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.618 -2.898 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.004 -3.345 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.510 -2.669 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.183 -1.380 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.107 -0.968 6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.761 0.351 2.223 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.226 0.557 4.652 1.00 0.00 H new ATOM 560 N LEU A 39 0.755 -4.438 0.578 1.00 0.00 N ATOM 561 CA LEU A 39 1.914 -4.309 -0.312 1.00 0.00 C ATOM 562 C LEU A 39 1.534 -3.516 -1.560 1.00 0.00 C ATOM 563 O LEU A 39 0.348 -3.426 -1.888 1.00 0.00 O ATOM 564 CB LEU A 39 2.526 -5.684 -0.643 1.00 0.00 C ATOM 565 CG LEU A 39 1.923 -6.589 -1.755 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.434 -6.807 -1.540 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.155 -6.127 -3.204 1.00 0.00 C ATOM 0 H LEU A 39 -0.127 -4.452 0.065 1.00 0.00 H new ATOM 0 HA LEU A 39 2.694 -3.749 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.570 -5.513 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.519 -6.265 0.279 1.00 0.00 H new ATOM 0 HG LEU A 39 2.479 -7.520 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.041 -7.443 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.272 -7.288 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.081 -5.846 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.690 -6.835 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.714 -5.140 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.226 -6.078 -3.403 1.00 0.00 H new ATOM 579 N VAL A 40 2.497 -2.951 -2.289 1.00 0.00 N ATOM 580 CA VAL A 40 2.198 -2.170 -3.491 1.00 0.00 C ATOM 581 C VAL A 40 2.871 -2.808 -4.692 1.00 0.00 C ATOM 582 O VAL A 40 4.026 -3.234 -4.600 1.00 0.00 O ATOM 583 CB VAL A 40 2.624 -0.706 -3.291 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.418 0.162 -4.540 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.824 -0.053 -2.153 1.00 0.00 C ATOM 0 H VAL A 40 3.491 -3.019 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 40 1.124 -2.168 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 40 3.688 -0.750 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.738 1.183 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.006 -0.241 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.363 0.162 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.143 0.982 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.761 -0.079 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.999 -0.598 -1.226 1.00 0.00 H new ATOM 595 N ARG A 41 2.157 -2.856 -5.823 1.00 0.00 N ATOM 596 CA ARG A 41 2.686 -3.425 -7.053 1.00 0.00 C ATOM 597 C ARG A 41 2.286 -2.564 -8.250 1.00 0.00 C ATOM 598 O ARG A 41 1.416 -1.698 -8.128 1.00 0.00 O ATOM 599 CB ARG A 41 2.225 -4.889 -7.167 1.00 0.00 C ATOM 600 CG ARG A 41 0.706 -5.000 -7.326 1.00 0.00 C ATOM 601 CD ARG A 41 0.298 -6.469 -7.398 1.00 0.00 C ATOM 602 NE ARG A 41 -1.105 -6.636 -7.810 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.565 -6.463 -9.056 1.00 0.00 C ATOM 604 NH1 ARG A 41 -0.772 -6.013 -10.028 1.00 0.00 N ATOM 605 NH2 ARG A 41 -2.840 -6.742 -9.300 1.00 0.00 N ATOM 0 H ARG A 41 1.204 -2.502 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 41 3.776 -3.429 -7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.714 -5.358 -8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.538 -5.438 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.207 -4.516 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.387 -4.480 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.946 -6.990 -8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.447 -6.934 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.778 -6.904 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.204 -5.794 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.141 -5.888 -10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.441 -7.078 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.218 -6.620 -10.239 1.00 0.00 H new ATOM 619 N GLU A 42 2.926 -2.787 -9.389 1.00 0.00 N ATOM 620 CA GLU A 42 2.702 -2.098 -10.659 1.00 0.00 C ATOM 621 C GLU A 42 1.632 -2.881 -11.445 1.00 0.00 C ATOM 622 O GLU A 42 1.594 -4.114 -11.367 1.00 0.00 O ATOM 623 CB GLU A 42 4.079 -2.028 -11.370 1.00 0.00 C ATOM 624 CG GLU A 42 4.118 -1.563 -12.836 1.00 0.00 C ATOM 625 CD GLU A 42 5.464 -1.853 -13.511 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.466 -1.138 -13.256 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.531 -2.772 -14.359 1.00 0.00 O ATOM 0 H GLU A 42 3.658 -3.494 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 42 2.325 -1.081 -10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.718 -1.361 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.528 -3.020 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.323 -2.059 -13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.917 -0.493 -12.879 1.00 0.00 H new ATOM 634 N SER A 43 0.715 -2.193 -12.138 1.00 0.00 N ATOM 635 CA SER A 43 -0.326 -2.808 -12.956 1.00 0.00 C ATOM 636 C SER A 43 0.356 -3.191 -14.267 1.00 0.00 C ATOM 637 O SER A 43 0.774 -2.314 -15.024 1.00 0.00 O ATOM 638 CB SER A 43 -1.494 -1.833 -13.184 1.00 0.00 C ATOM 639 OG SER A 43 -2.482 -2.330 -14.076 1.00 0.00 O ATOM 0 H SER A 43 0.680 -1.174 -12.142 1.00 0.00 H new ATOM 0 HA SER A 43 -0.761 -3.682 -12.471 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.962 -1.608 -12.225 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.102 -0.894 -13.575 1.00 0.00 H new ATOM 0 HG SER A 43 -3.195 -1.666 -14.177 1.00 0.00 H new ATOM 645 N GLN A 44 0.461 -4.493 -14.536 1.00 0.00 N ATOM 646 CA GLN A 44 1.072 -5.088 -15.719 1.00 0.00 C ATOM 647 C GLN A 44 0.692 -4.319 -16.991 1.00 0.00 C ATOM 648 O GLN A 44 -0.455 -4.393 -17.439 1.00 0.00 O ATOM 649 CB GLN A 44 0.634 -6.564 -15.780 1.00 0.00 C ATOM 650 CG GLN A 44 1.186 -7.362 -16.969 1.00 0.00 C ATOM 651 CD GLN A 44 0.589 -8.774 -17.050 1.00 0.00 C ATOM 652 OE1 GLN A 44 0.180 -9.388 -16.063 1.00 0.00 O ATOM 653 NE2 GLN A 44 0.473 -9.321 -18.247 1.00 0.00 N ATOM 0 H GLN A 44 0.100 -5.199 -13.895 1.00 0.00 H new ATOM 0 HA GLN A 44 2.159 -5.032 -15.653 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.943 -7.056 -14.858 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.455 -6.602 -15.812 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.973 -6.826 -17.894 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.270 -7.433 -16.884 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.808 -8.821 -19.071 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.048 -10.243 -18.347 1.00 0.00 H new ATOM 662 N GLY A 45 1.637 -3.571 -17.565 1.00 0.00 N ATOM 663 CA GLY A 45 1.459 -2.797 -18.786 1.00 0.00 C ATOM 664 C GLY A 45 1.254 -1.291 -18.628 1.00 0.00 C ATOM 665 O GLY A 45 1.267 -0.601 -19.652 1.00 0.00 O ATOM 0 H GLY A 45 2.576 -3.488 -17.176 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.333 -2.956 -19.418 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.600 -3.202 -19.322 1.00 0.00 H new ATOM 669 N LYS A 46 1.037 -0.741 -17.430 1.00 0.00 N ATOM 670 CA LYS A 46 0.844 0.704 -17.239 1.00 0.00 C ATOM 671 C LYS A 46 1.510 1.176 -15.951 1.00 0.00 C ATOM 672 O LYS A 46 2.105 0.377 -15.225 1.00 0.00 O ATOM 673 CB LYS A 46 -0.649 1.076 -17.336 1.00 0.00 C ATOM 674 CG LYS A 46 -1.513 0.589 -16.164 1.00 0.00 C ATOM 675 CD LYS A 46 -3.023 0.553 -16.470 1.00 0.00 C ATOM 676 CE LYS A 46 -3.842 1.846 -16.311 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.350 2.983 -17.115 1.00 0.00 N ATOM 0 H LYS A 46 0.990 -1.281 -16.566 1.00 0.00 H new ATOM 0 HA LYS A 46 1.341 1.240 -18.048 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.735 2.160 -17.406 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.052 0.664 -18.261 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.187 -0.411 -15.877 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.342 1.239 -15.306 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.144 0.210 -17.498 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.472 -0.204 -15.827 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.877 1.642 -16.587 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.843 2.134 -15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.045 3.756 -17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.444 3.316 -16.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.214 2.678 -18.100 1.00 0.00 H new ATOM 691 N GLN A 47 1.413 2.467 -15.655 1.00 0.00 N ATOM 692 CA GLN A 47 2.000 3.088 -14.474 1.00 0.00 C ATOM 693 C GLN A 47 0.937 3.370 -13.394 1.00 0.00 C ATOM 694 O GLN A 47 0.962 4.416 -12.747 1.00 0.00 O ATOM 695 CB GLN A 47 2.838 4.304 -14.897 1.00 0.00 C ATOM 696 CG GLN A 47 2.035 5.404 -15.604 1.00 0.00 C ATOM 697 CD GLN A 47 1.988 5.198 -17.115 1.00 0.00 C ATOM 698 OE1 GLN A 47 1.087 4.553 -17.658 1.00 0.00 O ATOM 699 NE2 GLN A 47 2.962 5.743 -17.815 1.00 0.00 N ATOM 0 H GLN A 47 0.910 3.129 -16.246 1.00 0.00 H new ATOM 0 HA GLN A 47 2.689 2.397 -13.989 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.315 4.728 -14.013 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.636 3.969 -15.560 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.019 5.422 -15.209 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.479 6.375 -15.384 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.695 6.272 -17.343 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.983 5.636 -18.829 1.00 0.00 H new ATOM 708 N GLU A 48 -0.072 2.503 -13.292 1.00 0.00 N ATOM 709 CA GLU A 48 -1.167 2.588 -12.338 1.00 0.00 C ATOM 710 C GLU A 48 -0.852 1.618 -11.207 1.00 0.00 C ATOM 711 O GLU A 48 -0.980 0.406 -11.375 1.00 0.00 O ATOM 712 CB GLU A 48 -2.481 2.227 -13.041 1.00 0.00 C ATOM 713 CG GLU A 48 -3.681 2.284 -12.113 1.00 0.00 C ATOM 714 CD GLU A 48 -4.055 3.700 -11.697 1.00 0.00 C ATOM 715 OE1 GLU A 48 -3.333 4.303 -10.877 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.094 4.207 -12.182 1.00 0.00 O ATOM 0 H GLU A 48 -0.147 1.688 -13.901 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.278 3.595 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.640 2.910 -13.876 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.399 1.224 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.535 1.820 -12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.470 1.695 -11.221 1.00 0.00 H new ATOM 723 N TYR A 49 -0.403 2.125 -10.065 1.00 0.00 N ATOM 724 CA TYR A 49 -0.053 1.255 -8.957 1.00 0.00 C ATOM 725 C TYR A 49 -1.295 0.634 -8.334 1.00 0.00 C ATOM 726 O TYR A 49 -2.391 1.194 -8.407 1.00 0.00 O ATOM 727 CB TYR A 49 0.725 2.034 -7.910 1.00 0.00 C ATOM 728 CG TYR A 49 2.115 2.499 -8.311 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.101 1.552 -8.643 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.445 3.870 -8.289 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.404 1.968 -8.963 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.750 4.288 -8.611 1.00 0.00 C ATOM 733 CZ TYR A 49 4.742 3.340 -8.942 1.00 0.00 C ATOM 734 OH TYR A 49 6.004 3.729 -9.283 1.00 0.00 O ATOM 0 H TYR A 49 -0.275 3.121 -9.886 1.00 0.00 H new ATOM 0 HA TYR A 49 0.572 0.448 -9.341 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.139 2.909 -7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.816 1.413 -7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.855 0.500 -8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.695 4.601 -8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.152 1.235 -9.227 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.994 5.340 -8.605 1.00 0.00 H new ATOM 0 HH TYR A 49 6.074 4.704 -9.219 1.00 0.00 H new ATOM 744 N VAL A 50 -1.106 -0.485 -7.640 1.00 0.00 N ATOM 745 CA VAL A 50 -2.162 -1.235 -6.985 1.00 0.00 C ATOM 746 C VAL A 50 -1.792 -1.469 -5.531 1.00 0.00 C ATOM 747 O VAL A 50 -0.638 -1.775 -5.218 1.00 0.00 O ATOM 748 CB VAL A 50 -2.368 -2.574 -7.719 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.598 -3.293 -7.157 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.533 -2.367 -9.227 1.00 0.00 C ATOM 0 H VAL A 50 -0.184 -0.904 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.094 -0.671 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.480 -3.185 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.737 -4.239 -7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.453 -3.485 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.480 -2.668 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.676 -3.332 -9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.400 -1.734 -9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.640 -1.888 -9.628 1.00 0.00 H new ATOM 760 N LEU A 51 -2.795 -1.356 -4.666 1.00 0.00 N ATOM 761 CA LEU A 51 -2.718 -1.542 -3.230 1.00 0.00 C ATOM 762 C LEU A 51 -3.445 -2.854 -2.941 1.00 0.00 C ATOM 763 O LEU A 51 -4.666 -2.925 -3.082 1.00 0.00 O ATOM 764 CB LEU A 51 -3.420 -0.348 -2.558 1.00 0.00 C ATOM 765 CG LEU A 51 -3.065 -0.063 -1.092 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.600 0.323 -0.849 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.904 1.123 -0.630 1.00 0.00 C ATOM 0 H LEU A 51 -3.738 -1.118 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.697 -1.589 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.198 0.546 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.496 -0.509 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.255 -0.989 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.443 0.505 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.951 -0.488 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.364 1.227 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.672 1.349 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.678 1.991 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.962 0.878 -0.721 1.00 0.00 H new ATOM 779 N SER A 52 -2.729 -3.947 -2.682 1.00 0.00 N ATOM 780 CA SER A 52 -3.363 -5.219 -2.376 1.00 0.00 C ATOM 781 C SER A 52 -3.177 -5.452 -0.876 1.00 0.00 C ATOM 782 O SER A 52 -2.046 -5.381 -0.398 1.00 0.00 O ATOM 783 CB SER A 52 -2.747 -6.298 -3.271 1.00 0.00 C ATOM 784 OG SER A 52 -3.411 -7.537 -3.134 1.00 0.00 O ATOM 0 H SER A 52 -1.709 -3.973 -2.679 1.00 0.00 H new ATOM 0 HA SER A 52 -4.433 -5.239 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.791 -5.976 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.694 -6.421 -3.019 1.00 0.00 H new ATOM 0 HG SER A 52 -4.243 -7.521 -3.651 1.00 0.00 H new ATOM 790 N VAL A 53 -4.248 -5.667 -0.115 1.00 0.00 N ATOM 791 CA VAL A 53 -4.166 -5.945 1.330 1.00 0.00 C ATOM 792 C VAL A 53 -4.974 -7.205 1.639 1.00 0.00 C ATOM 793 O VAL A 53 -5.724 -7.657 0.779 1.00 0.00 O ATOM 794 CB VAL A 53 -4.566 -4.751 2.227 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.461 -3.393 1.558 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.949 -4.825 2.832 1.00 0.00 C ATOM 0 H VAL A 53 -5.202 -5.655 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.118 -6.115 1.576 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.820 -4.845 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.761 -2.617 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.431 -3.220 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.115 -3.365 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.127 -3.939 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.692 -4.873 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.026 -5.716 3.455 1.00 0.00 H new ATOM 806 N LEU A 54 -4.850 -7.781 2.836 1.00 0.00 N ATOM 807 CA LEU A 54 -5.580 -8.970 3.263 1.00 0.00 C ATOM 808 C LEU A 54 -6.387 -8.615 4.505 1.00 0.00 C ATOM 809 O LEU A 54 -5.950 -7.784 5.302 1.00 0.00 O ATOM 810 CB LEU A 54 -4.580 -10.098 3.548 1.00 0.00 C ATOM 811 CG LEU A 54 -5.212 -11.416 4.027 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.124 -12.024 2.955 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.101 -12.408 4.362 1.00 0.00 C ATOM 0 H LEU A 54 -4.221 -7.421 3.553 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.263 -9.313 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.008 -10.294 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.873 -9.755 4.303 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.818 -11.205 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.553 -12.954 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.925 -11.323 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.543 -12.227 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.541 -13.345 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.497 -12.592 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.470 -11.996 5.150 1.00 0.00 H new ATOM 825 N TRP A 55 -7.571 -9.218 4.666 1.00 0.00 N ATOM 826 CA TRP A 55 -8.401 -8.952 5.833 1.00 0.00 C ATOM 827 C TRP A 55 -9.229 -10.172 6.209 1.00 0.00 C ATOM 828 O TRP A 55 -9.015 -10.775 7.258 1.00 0.00 O ATOM 829 CB TRP A 55 -9.275 -7.723 5.582 1.00 0.00 C ATOM 830 CG TRP A 55 -9.955 -7.146 6.786 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.231 -7.373 7.171 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.414 -6.191 7.748 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.530 -6.585 8.266 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.446 -5.834 8.663 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.154 -5.585 7.934 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.246 -4.899 9.689 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.931 -4.679 8.987 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.975 -4.325 9.857 1.00 0.00 C ATOM 0 H TRP A 55 -7.968 -9.887 4.006 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.754 -8.738 6.684 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.656 -6.947 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.038 -7.987 4.850 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -11.912 -8.064 6.696 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.441 -6.562 8.724 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.347 -5.821 7.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.060 -4.623 10.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.949 -4.252 9.127 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.801 -3.615 10.652 1.00 0.00 H new ATOM 849 N ASP A 56 -10.127 -10.587 5.314 1.00 0.00 N ATOM 850 CA ASP A 56 -11.027 -11.718 5.526 1.00 0.00 C ATOM 851 C ASP A 56 -10.636 -12.941 4.696 1.00 0.00 C ATOM 852 O ASP A 56 -11.478 -13.561 4.048 1.00 0.00 O ATOM 853 CB ASP A 56 -12.460 -11.250 5.240 1.00 0.00 C ATOM 854 CG ASP A 56 -13.474 -12.250 5.791 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.392 -12.541 7.008 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.391 -12.662 5.041 1.00 0.00 O ATOM 0 H ASP A 56 -10.250 -10.138 4.407 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.953 -12.049 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.625 -10.271 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.603 -11.134 4.166 1.00 0.00 H new ATOM 861 N GLY A 57 -9.340 -13.253 4.624 1.00 0.00 N ATOM 862 CA GLY A 57 -8.820 -14.386 3.856 1.00 0.00 C ATOM 863 C GLY A 57 -8.894 -14.159 2.340 1.00 0.00 C ATOM 864 O GLY A 57 -8.435 -14.989 1.551 1.00 0.00 O ATOM 0 H GLY A 57 -8.614 -12.720 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.784 -14.568 4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.384 -15.283 4.113 1.00 0.00 H new ATOM 868 N LEU A 58 -9.432 -13.010 1.931 1.00 0.00 N ATOM 869 CA LEU A 58 -9.641 -12.555 0.573 1.00 0.00 C ATOM 870 C LEU A 58 -8.814 -11.280 0.421 1.00 0.00 C ATOM 871 O LEU A 58 -9.126 -10.298 1.104 1.00 0.00 O ATOM 872 CB LEU A 58 -11.151 -12.310 0.410 1.00 0.00 C ATOM 873 CG LEU A 58 -11.635 -12.034 -1.024 1.00 0.00 C ATOM 874 CD1 LEU A 58 -13.165 -12.057 -1.008 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.173 -10.689 -1.589 1.00 0.00 C ATOM 0 H LEU A 58 -9.758 -12.320 2.607 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.332 -13.266 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.684 -13.181 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.432 -11.464 1.037 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.205 -12.802 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.542 -11.864 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.511 -13.035 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.533 -11.289 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.555 -10.570 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.551 -9.882 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.084 -10.656 -1.606 1.00 0.00 H new ATOM 887 N PRO A 59 -7.756 -11.268 -0.407 1.00 0.00 N ATOM 888 CA PRO A 59 -6.949 -10.080 -0.581 1.00 0.00 C ATOM 889 C PRO A 59 -7.746 -8.997 -1.316 1.00 0.00 C ATOM 890 O PRO A 59 -8.151 -9.156 -2.472 1.00 0.00 O ATOM 891 CB PRO A 59 -5.676 -10.509 -1.301 1.00 0.00 C ATOM 892 CG PRO A 59 -6.071 -11.794 -2.019 1.00 0.00 C ATOM 893 CD PRO A 59 -7.273 -12.350 -1.248 1.00 0.00 C ATOM 0 HA PRO A 59 -6.671 -9.627 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.339 -9.747 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.859 -10.679 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.331 -11.597 -3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.247 -12.507 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.051 -12.687 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.984 -13.211 -0.645 1.00 0.00 H new ATOM 901 N ARG A 60 -8.085 -7.931 -0.601 1.00 0.00 N ATOM 902 CA ARG A 60 -8.824 -6.788 -1.101 1.00 0.00 C ATOM 903 C ARG A 60 -7.854 -5.968 -1.950 1.00 0.00 C ATOM 904 O ARG A 60 -6.834 -5.493 -1.449 1.00 0.00 O ATOM 905 CB ARG A 60 -9.343 -5.948 0.071 1.00 0.00 C ATOM 906 CG ARG A 60 -10.291 -6.635 1.065 1.00 0.00 C ATOM 907 CD ARG A 60 -11.705 -6.831 0.513 1.00 0.00 C ATOM 908 NE ARG A 60 -12.619 -7.297 1.573 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.612 -8.180 1.433 1.00 0.00 C ATOM 910 NH1 ARG A 60 -14.032 -8.546 0.224 1.00 0.00 N ATOM 911 NH2 ARG A 60 -14.147 -8.693 2.527 1.00 0.00 N ATOM 0 H ARG A 60 -7.840 -7.840 0.385 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.684 -7.104 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.482 -5.577 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.857 -5.078 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.878 -7.605 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.343 -6.041 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.071 -5.893 0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.686 -7.555 -0.302 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.479 -6.907 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.595 -8.151 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.791 -9.221 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.800 -8.412 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.907 -9.370 2.454 1.00 0.00 H new ATOM 925 N HIS A 61 -8.124 -5.858 -3.244 1.00 0.00 N ATOM 926 CA HIS A 61 -7.318 -5.100 -4.185 1.00 0.00 C ATOM 927 C HIS A 61 -7.984 -3.739 -4.363 1.00 0.00 C ATOM 928 O HIS A 61 -9.127 -3.690 -4.832 1.00 0.00 O ATOM 929 CB HIS A 61 -7.261 -5.818 -5.539 1.00 0.00 C ATOM 930 CG HIS A 61 -6.803 -7.250 -5.486 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.629 -7.719 -4.944 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.458 -8.315 -6.043 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.562 -9.032 -5.195 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.651 -9.446 -5.876 1.00 0.00 N ATOM 0 H HIS A 61 -8.931 -6.306 -3.677 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.300 -4.996 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.253 -5.787 -5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.593 -5.264 -6.198 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.424 -8.287 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.747 -9.673 -4.893 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.846 -10.392 -6.203 1.00 0.00 H new ATOM 942 N PHE A 62 -7.321 -2.654 -3.970 1.00 0.00 N ATOM 943 CA PHE A 62 -7.837 -1.306 -4.112 1.00 0.00 C ATOM 944 C PHE A 62 -7.054 -0.629 -5.235 1.00 0.00 C ATOM 945 O PHE A 62 -5.845 -0.824 -5.400 1.00 0.00 O ATOM 946 CB PHE A 62 -7.789 -0.536 -2.791 1.00 0.00 C ATOM 947 CG PHE A 62 -8.514 -1.224 -1.648 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.864 -2.205 -0.879 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.839 -0.872 -1.335 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.507 -2.777 0.229 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.493 -1.461 -0.239 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.822 -2.407 0.556 1.00 0.00 C ATOM 0 H PHE A 62 -6.398 -2.693 -3.539 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.894 -1.326 -4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.747 -0.385 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.225 0.452 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.865 -2.520 -1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.358 -0.144 -1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.988 -3.506 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.512 -1.187 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.314 -2.846 1.412 1.00 0.00 H new ATOM 962 N ILE A 63 -7.786 0.120 -6.051 1.00 0.00 N ATOM 963 CA ILE A 63 -7.279 0.854 -7.202 1.00 0.00 C ATOM 964 C ILE A 63 -6.893 2.230 -6.673 1.00 0.00 C ATOM 965 O ILE A 63 -7.773 2.977 -6.235 1.00 0.00 O ATOM 966 CB ILE A 63 -8.378 0.904 -8.290 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.813 -0.522 -8.717 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.952 1.696 -9.542 1.00 0.00 C ATOM 969 CD1 ILE A 63 -10.306 -0.585 -9.045 1.00 0.00 C ATOM 0 H ILE A 63 -8.791 0.237 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.411 0.389 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.219 1.426 -7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.236 -0.833 -9.588 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.586 -1.226 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.765 1.694 -10.268 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.718 2.723 -9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.071 1.231 -9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.571 -1.600 -9.340 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.884 -0.300 -8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.528 0.100 -9.863 1.00 0.00 H new ATOM 981 N ILE A 64 -5.597 2.539 -6.616 1.00 0.00 N ATOM 982 CA ILE A 64 -5.145 3.839 -6.130 1.00 0.00 C ATOM 983 C ILE A 64 -5.640 4.877 -7.146 1.00 0.00 C ATOM 984 O ILE A 64 -5.396 4.713 -8.345 1.00 0.00 O ATOM 985 CB ILE A 64 -3.611 3.848 -5.947 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.184 2.700 -4.997 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.174 5.220 -5.403 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.675 2.600 -4.774 1.00 0.00 C ATOM 0 H ILE A 64 -4.847 1.909 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.550 4.073 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.120 3.684 -6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.674 2.840 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.543 1.755 -5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.092 5.232 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.463 6.000 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.658 5.402 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.461 1.772 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.177 2.427 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.309 3.529 -4.337 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.381 5.897 -6.700 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.912 6.944 -7.572 1.00 0.00 C ATOM 1002 C GLN A 65 -5.857 8.044 -7.736 1.00 0.00 C ATOM 1003 O GLN A 65 -5.087 8.301 -6.809 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.210 7.522 -6.989 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.262 6.458 -6.623 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.739 5.653 -7.831 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -10.222 6.215 -8.806 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -9.688 4.333 -7.791 1.00 0.00 N ATOM 0 H GLN A 65 -6.629 6.018 -5.718 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.144 6.519 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.969 8.101 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.644 8.214 -7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.841 5.778 -5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.118 6.946 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.286 3.862 -6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.050 3.785 -8.571 1.00 0.00 H new ATOM 1017 N SER A 66 -5.837 8.723 -8.884 1.00 0.00 N ATOM 1018 CA SER A 66 -4.901 9.792 -9.210 1.00 0.00 C ATOM 1019 C SER A 66 -5.663 10.792 -10.078 1.00 0.00 C ATOM 1020 O SER A 66 -5.858 10.540 -11.269 1.00 0.00 O ATOM 1021 CB SER A 66 -3.667 9.180 -9.890 1.00 0.00 C ATOM 1022 OG SER A 66 -3.966 8.324 -10.987 1.00 0.00 O ATOM 0 H SER A 66 -6.498 8.534 -9.638 1.00 0.00 H new ATOM 0 HA SER A 66 -4.526 10.322 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.022 9.986 -10.239 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.100 8.617 -9.149 1.00 0.00 H new ATOM 0 HG SER A 66 -4.690 8.715 -11.519 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.119 11.911 -9.506 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.913 12.890 -10.275 1.00 0.00 C ATOM 1030 C LEU A 67 -6.793 14.341 -9.837 1.00 0.00 C ATOM 1031 O LEU A 67 -7.375 15.224 -10.471 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.396 12.493 -10.138 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.908 12.580 -8.677 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.801 13.803 -8.451 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -9.640 11.295 -8.296 1.00 0.00 C ATOM 0 H LEU A 67 -5.959 12.164 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.522 12.852 -11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.001 13.143 -10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.531 11.476 -10.506 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.039 12.697 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.136 13.822 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.237 14.710 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.667 13.748 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.994 11.369 -7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.490 11.149 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.959 10.448 -8.385 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.082 14.613 -8.753 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.926 15.963 -8.218 1.00 0.00 C ATOM 1049 C ASP A 68 -4.464 16.185 -7.849 1.00 0.00 C ATOM 1050 O ASP A 68 -4.155 16.940 -6.935 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.850 16.095 -6.997 1.00 0.00 C ATOM 1052 CG ASP A 68 -7.441 17.495 -6.868 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.851 18.348 -6.171 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -8.559 17.683 -7.413 1.00 0.00 O ATOM 0 H ASP A 68 -5.592 13.899 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.201 16.721 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.658 15.368 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.291 15.854 -6.093 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.547 15.479 -8.525 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.102 15.502 -8.272 1.00 0.00 C ATOM 1061 C ASN A 69 -1.821 14.962 -6.859 1.00 0.00 C ATOM 1062 O ASN A 69 -0.696 15.068 -6.374 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.453 16.881 -8.525 1.00 0.00 C ATOM 1064 CG ASN A 69 -1.200 17.115 -10.001 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -2.132 17.331 -10.769 1.00 0.00 O ATOM 1066 ND2 ASN A 69 0.041 17.041 -10.443 1.00 0.00 N ATOM 0 H ASN A 69 -3.802 14.854 -9.290 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.625 14.845 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.102 17.666 -8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.512 16.947 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.237 17.164 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.805 16.861 -9.791 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.822 14.385 -6.190 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.768 13.834 -4.852 1.00 0.00 C ATOM 1075 C LEU A 70 -3.471 12.494 -4.914 1.00 0.00 C ATOM 1076 O LEU A 70 -4.608 12.434 -5.393 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.518 14.732 -3.847 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.683 15.865 -3.236 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.632 17.102 -4.139 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.255 16.306 -1.898 1.00 0.00 C ATOM 0 H LEU A 70 -3.749 14.289 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.732 13.752 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.382 15.168 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.900 14.107 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.679 15.459 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.030 17.876 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.187 16.835 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.643 17.477 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.643 17.110 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.276 16.662 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.256 15.463 -1.207 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.809 11.434 -4.469 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.408 10.108 -4.469 1.00 0.00 C ATOM 1094 C TYR A 71 -4.353 10.039 -3.293 1.00 0.00 C ATOM 1095 O TYR A 71 -3.987 10.499 -2.214 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.348 9.020 -4.290 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.296 9.093 -5.360 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.617 8.695 -6.666 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.037 9.640 -5.063 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.695 8.895 -7.699 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.903 9.818 -6.086 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.555 9.487 -7.418 1.00 0.00 C ATOM 1103 OH TYR A 71 1.407 9.738 -8.443 1.00 0.00 O ATOM 0 H TYR A 71 -1.857 11.468 -4.104 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.916 9.944 -5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.880 9.124 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.824 8.040 -4.313 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.572 8.236 -6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.206 9.922 -4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.939 8.597 -8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.886 10.205 -5.861 1.00 0.00 H new ATOM 0 HH TYR A 71 2.226 10.148 -8.095 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.566 9.545 -3.516 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.579 9.386 -2.484 1.00 0.00 C ATOM 1115 C ARG A 72 -7.388 8.135 -2.802 1.00 0.00 C ATOM 1116 O ARG A 72 -7.147 7.482 -3.822 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.443 10.647 -2.292 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.504 10.935 -3.369 1.00 0.00 C ATOM 1119 CD ARG A 72 -7.944 11.514 -4.673 1.00 0.00 C ATOM 1120 NE ARG A 72 -7.242 12.782 -4.439 1.00 0.00 N ATOM 1121 CZ ARG A 72 -7.790 13.964 -4.130 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -9.099 14.175 -4.226 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -6.990 14.945 -3.740 1.00 0.00 N ATOM 0 H ARG A 72 -5.877 9.238 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.096 9.256 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.949 10.568 -1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.778 11.508 -2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.035 10.010 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.237 11.632 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.261 10.797 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.757 11.672 -5.381 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.226 12.760 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.715 13.426 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.488 15.086 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.984 14.790 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.380 15.856 -3.498 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.338 7.806 -1.939 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.220 6.655 -2.079 1.00 0.00 C ATOM 1139 C LEU A 73 -10.552 6.960 -1.402 1.00 0.00 C ATOM 1140 O LEU A 73 -11.599 6.511 -1.873 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.537 5.416 -1.481 1.00 0.00 C ATOM 1142 CG LEU A 73 -9.113 4.067 -1.937 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -8.998 3.842 -3.446 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -8.347 2.961 -1.210 1.00 0.00 C ATOM 0 H LEU A 73 -8.523 8.349 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.420 6.448 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.478 5.446 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.604 5.473 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.176 4.058 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.423 2.872 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.541 4.627 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.948 3.867 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.735 1.989 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.289 3.025 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.471 3.080 -0.134 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.543 7.748 -0.324 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.729 8.161 0.409 1.00 0.00 C ATOM 1158 C GLU A 74 -11.867 9.668 0.204 1.00 0.00 C ATOM 1159 O GLU A 74 -12.743 10.062 -0.563 1.00 0.00 O ATOM 1160 CB GLU A 74 -11.695 7.711 1.877 1.00 0.00 C ATOM 1161 CG GLU A 74 -12.884 8.324 2.632 1.00 0.00 C ATOM 1162 CD GLU A 74 -13.091 7.710 4.010 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -12.329 8.022 4.951 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -14.090 6.975 4.183 1.00 0.00 O ATOM 0 H GLU A 74 -9.681 8.124 0.070 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.625 7.670 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.736 6.623 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.758 8.020 2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.726 9.397 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.790 8.192 2.041 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.001 10.483 0.816 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.053 11.932 0.688 1.00 0.00 C ATOM 1173 C GLY A 75 -9.661 12.542 0.722 1.00 0.00 C ATOM 1174 O GLY A 75 -9.175 12.998 -0.310 1.00 0.00 O ATOM 0 H GLY A 75 -10.245 10.149 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.546 12.199 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.654 12.349 1.496 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.029 12.559 1.900 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.689 13.120 2.076 1.00 0.00 C ATOM 1180 C GLU A 76 -6.709 12.412 1.140 1.00 0.00 C ATOM 1181 O GLU A 76 -6.790 11.192 0.971 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.216 12.986 3.538 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.126 13.747 4.514 1.00 0.00 C ATOM 1184 CD GLU A 76 -7.516 13.937 5.908 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -6.425 14.546 6.022 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -8.202 13.654 6.918 1.00 0.00 O ATOM 0 H GLU A 76 -9.434 12.184 2.758 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.725 14.181 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.190 11.932 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.197 13.363 3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.358 14.725 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.070 13.210 4.611 1.00 0.00 H new ATOM 1193 N GLY A 77 -5.796 13.154 0.512 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.816 12.584 -0.382 1.00 0.00 C ATOM 1195 C GLY A 77 -3.450 13.169 -0.091 1.00 0.00 C ATOM 1196 O GLY A 77 -3.323 14.075 0.740 1.00 0.00 O ATOM 0 H GLY A 77 -5.724 14.166 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.790 11.501 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.094 12.785 -1.416 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.436 12.683 -0.809 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.067 13.153 -0.619 1.00 0.00 C ATOM 1202 C PHE A 78 -0.267 13.261 -1.912 1.00 0.00 C ATOM 1203 O PHE A 78 -0.565 12.554 -2.879 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.342 12.210 0.346 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.705 12.429 1.799 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.869 11.843 2.320 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.087 13.254 2.620 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.235 12.061 3.655 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.262 13.455 3.962 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.416 12.848 4.480 1.00 0.00 C ATOM 0 H PHE A 78 -2.539 11.965 -1.526 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.137 14.162 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.572 11.180 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.734 12.339 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.486 11.221 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.966 13.733 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.142 11.626 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.355 14.075 4.595 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.676 12.987 5.519 1.00 0.00 H new ATOM 1220 N PRO A 79 0.815 14.068 -1.909 1.00 0.00 N ATOM 1221 CA PRO A 79 1.691 14.278 -3.061 1.00 0.00 C ATOM 1222 C PRO A 79 2.470 13.028 -3.469 1.00 0.00 C ATOM 1223 O PRO A 79 3.115 13.044 -4.522 1.00 0.00 O ATOM 1224 CB PRO A 79 2.685 15.377 -2.645 1.00 0.00 C ATOM 1225 CG PRO A 79 2.656 15.353 -1.120 1.00 0.00 C ATOM 1226 CD PRO A 79 1.230 14.934 -0.811 1.00 0.00 C ATOM 0 HA PRO A 79 1.083 14.548 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.685 15.174 -3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.387 16.351 -3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.381 14.647 -0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.890 16.330 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.176 14.408 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.577 15.803 -0.732 1.00 0.00 H new ATOM 1234 N SER A 80 2.472 11.988 -2.637 1.00 0.00 N ATOM 1235 CA SER A 80 3.173 10.738 -2.882 1.00 0.00 C ATOM 1236 C SER A 80 2.375 9.590 -2.264 1.00 0.00 C ATOM 1237 O SER A 80 1.452 9.816 -1.481 1.00 0.00 O ATOM 1238 CB SER A 80 4.587 10.848 -2.301 1.00 0.00 C ATOM 1239 OG SER A 80 5.399 11.675 -3.108 1.00 0.00 O ATOM 0 H SER A 80 1.970 11.996 -1.749 1.00 0.00 H new ATOM 0 HA SER A 80 3.264 10.536 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.539 11.253 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.032 9.856 -2.226 1.00 0.00 H new ATOM 0 HG SER A 80 4.843 12.127 -3.777 1.00 0.00 H new ATOM 1245 N ILE A 81 2.724 8.360 -2.628 1.00 0.00 N ATOM 1246 CA ILE A 81 2.059 7.160 -2.152 1.00 0.00 C ATOM 1247 C ILE A 81 2.400 6.850 -0.686 1.00 0.00 C ATOM 1248 O ILE A 81 1.463 6.725 0.104 1.00 0.00 O ATOM 1249 CB ILE A 81 2.383 5.953 -3.063 1.00 0.00 C ATOM 1250 CG1 ILE A 81 2.040 6.228 -4.546 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.715 4.673 -2.513 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.550 6.283 -4.873 1.00 0.00 C ATOM 0 H ILE A 81 3.491 8.170 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 81 0.986 7.348 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 81 3.461 5.791 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.494 7.175 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.501 5.453 -5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.951 3.831 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.087 4.471 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.635 4.813 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.418 6.481 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.087 5.329 -4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.080 7.079 -4.295 1.00 0.00 H new ATOM 1264 N PRO A 82 3.686 6.722 -0.276 1.00 0.00 N ATOM 1265 CA PRO A 82 4.016 6.393 1.111 1.00 0.00 C ATOM 1266 C PRO A 82 3.426 7.394 2.103 1.00 0.00 C ATOM 1267 O PRO A 82 3.065 7.026 3.219 1.00 0.00 O ATOM 1268 CB PRO A 82 5.541 6.308 1.197 1.00 0.00 C ATOM 1269 CG PRO A 82 6.048 6.993 -0.066 1.00 0.00 C ATOM 1270 CD PRO A 82 4.908 6.845 -1.062 1.00 0.00 C ATOM 0 HA PRO A 82 3.570 5.439 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.914 6.806 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.876 5.272 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.281 8.042 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.960 6.523 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.858 7.709 -1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.054 5.967 -1.692 1.00 0.00 H new ATOM 1278 N LEU A 83 3.291 8.649 1.670 1.00 0.00 N ATOM 1279 CA LEU A 83 2.738 9.763 2.422 1.00 0.00 C ATOM 1280 C LEU A 83 1.300 9.423 2.841 1.00 0.00 C ATOM 1281 O LEU A 83 0.944 9.612 4.003 1.00 0.00 O ATOM 1282 CB LEU A 83 2.802 11.028 1.539 1.00 0.00 C ATOM 1283 CG LEU A 83 4.127 11.813 1.491 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.350 12.606 2.778 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.354 10.934 1.252 1.00 0.00 C ATOM 0 H LEU A 83 3.583 8.924 0.732 1.00 0.00 H new ATOM 0 HA LEU A 83 3.310 9.951 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.550 10.736 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.022 11.710 1.877 1.00 0.00 H new ATOM 0 HG LEU A 83 4.021 12.485 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.293 13.149 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.533 13.314 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.383 11.922 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.249 11.556 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.440 10.203 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.250 10.415 0.299 1.00 0.00 H new ATOM 1297 N LEU A 84 0.474 8.941 1.902 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.912 8.559 2.173 1.00 0.00 C ATOM 1299 C LEU A 84 -0.922 7.296 3.025 1.00 0.00 C ATOM 1300 O LEU A 84 -1.628 7.242 4.026 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.698 8.393 0.852 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.177 7.945 0.946 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.300 6.426 1.102 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.994 8.711 1.996 1.00 0.00 C ATOM 0 H LEU A 84 0.753 8.806 0.930 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.416 9.346 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.669 9.345 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.167 7.669 0.234 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.629 8.213 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.353 6.151 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.847 5.934 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.788 6.111 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.019 8.340 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.550 8.564 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.994 9.773 1.753 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.137 6.284 2.654 1.00 0.00 N ATOM 1317 CA ILE A 85 -0.051 5.023 3.384 1.00 0.00 C ATOM 1318 C ILE A 85 0.232 5.294 4.861 1.00 0.00 C ATOM 1319 O ILE A 85 -0.407 4.668 5.704 1.00 0.00 O ATOM 1320 CB ILE A 85 0.981 4.088 2.690 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.300 3.118 1.703 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.832 3.239 3.650 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.547 3.834 0.653 1.00 0.00 C ATOM 0 H ILE A 85 0.462 6.319 1.829 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.003 4.492 3.359 1.00 0.00 H new ATOM 0 HB ILE A 85 1.643 4.784 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.063 2.523 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.331 2.425 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.521 2.620 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.398 3.895 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.180 2.599 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.000 3.099 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.331 4.408 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.085 4.507 0.073 1.00 0.00 H new ATOM 1335 N ASP A 86 1.141 6.223 5.175 1.00 0.00 N ATOM 1336 CA ASP A 86 1.470 6.556 6.554 1.00 0.00 C ATOM 1337 C ASP A 86 0.274 7.193 7.246 1.00 0.00 C ATOM 1338 O ASP A 86 -0.007 6.857 8.392 1.00 0.00 O ATOM 1339 CB ASP A 86 2.692 7.465 6.655 1.00 0.00 C ATOM 1340 CG ASP A 86 3.237 7.440 8.083 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.588 6.326 8.540 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.429 8.506 8.702 1.00 0.00 O ATOM 0 H ASP A 86 1.663 6.759 4.482 1.00 0.00 H new ATOM 0 HA ASP A 86 1.721 5.624 7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.461 7.135 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.423 8.484 6.376 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.464 8.074 6.561 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.645 8.712 7.132 1.00 0.00 C ATOM 1349 C HIS A 87 -2.653 7.634 7.533 1.00 0.00 C ATOM 1350 O HIS A 87 -3.252 7.736 8.604 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.243 9.722 6.143 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.606 10.265 6.510 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.868 11.268 7.416 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.796 9.937 5.911 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -5.180 11.554 7.345 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.787 10.761 6.449 1.00 0.00 N ATOM 0 H HIS A 87 -0.258 8.360 5.604 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.369 9.271 8.026 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.552 10.559 6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.312 9.248 5.164 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.188 11.715 8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.941 9.177 5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.676 12.316 7.928 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.842 6.584 6.724 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.783 5.501 7.036 1.00 0.00 C ATOM 1366 C LEU A 88 -3.241 4.687 8.184 1.00 0.00 C ATOM 1367 O LEU A 88 -3.956 4.416 9.143 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.041 4.578 5.842 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.220 5.111 5.027 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.852 6.422 4.364 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.665 4.097 3.983 1.00 0.00 C ATOM 0 H LEU A 88 -2.350 6.461 5.839 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.734 5.964 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.151 4.519 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.254 3.567 6.190 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.053 5.283 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.701 6.789 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.588 7.154 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.002 6.268 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.505 4.501 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.838 3.887 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.971 3.176 4.478 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.979 4.288 8.082 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.301 3.525 9.123 1.00 0.00 C ATOM 1385 C LEU A 89 -1.379 4.278 10.461 1.00 0.00 C ATOM 1386 O LEU A 89 -1.468 3.643 11.510 1.00 0.00 O ATOM 1387 CB LEU A 89 0.162 3.357 8.707 1.00 0.00 C ATOM 1388 CG LEU A 89 0.495 2.083 7.915 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.924 2.189 7.377 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.406 0.817 8.776 1.00 0.00 C ATOM 0 H LEU A 89 -1.394 4.486 7.270 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.775 2.552 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.450 4.220 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.779 3.374 9.606 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.236 2.002 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.168 1.289 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.003 3.058 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.619 2.296 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.651 -0.054 8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.110 0.890 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.606 0.714 9.168 1.00 0.00 H new ATOM 1402 N SER A 90 -1.404 5.609 10.445 1.00 0.00 N ATOM 1403 CA SER A 90 -1.478 6.458 11.615 1.00 0.00 C ATOM 1404 C SER A 90 -2.931 6.592 12.105 1.00 0.00 C ATOM 1405 O SER A 90 -3.225 6.200 13.237 1.00 0.00 O ATOM 1406 CB SER A 90 -0.825 7.802 11.249 1.00 0.00 C ATOM 1407 OG SER A 90 -0.521 8.564 12.393 1.00 0.00 O ATOM 0 H SER A 90 -1.372 6.141 9.575 1.00 0.00 H new ATOM 0 HA SER A 90 -0.937 6.026 12.456 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.087 7.620 10.680 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.496 8.368 10.603 1.00 0.00 H new ATOM 0 HG SER A 90 -0.106 9.410 12.122 1.00 0.00 H new ATOM 1413 N THR A 91 -3.846 7.129 11.287 1.00 0.00 N ATOM 1414 CA THR A 91 -5.266 7.348 11.613 1.00 0.00 C ATOM 1415 C THR A 91 -6.091 6.078 11.802 1.00 0.00 C ATOM 1416 O THR A 91 -7.135 6.127 12.449 1.00 0.00 O ATOM 1417 CB THR A 91 -5.960 8.148 10.492 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.810 7.507 9.242 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.438 9.572 10.355 1.00 0.00 C ATOM 0 H THR A 91 -3.611 7.435 10.343 1.00 0.00 H new ATOM 0 HA THR A 91 -5.235 7.881 12.563 1.00 0.00 H new ATOM 0 HB THR A 91 -7.010 8.192 10.781 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.026 7.870 8.780 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.969 10.078 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.599 10.110 11.289 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.372 9.549 10.129 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.629 4.950 11.264 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.298 3.654 11.317 1.00 0.00 C ATOM 1429 C GLN A 92 -7.699 3.717 10.673 1.00 0.00 C ATOM 1430 O GLN A 92 -8.593 2.954 11.034 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.281 3.095 12.751 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.878 2.707 13.245 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.355 1.491 12.489 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.843 0.383 12.688 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.395 1.678 11.600 1.00 0.00 N ATOM 0 H GLN A 92 -4.743 4.914 10.760 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.743 2.938 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.702 3.839 13.427 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.928 2.219 12.798 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.195 3.546 13.110 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.910 2.491 14.313 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.008 2.611 11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.041 0.890 11.058 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.902 4.643 9.729 1.00 0.00 N ATOM 1445 CA GLN A 93 -9.175 4.803 9.040 1.00 0.00 C ATOM 1446 C GLN A 93 -9.429 3.633 8.078 1.00 0.00 C ATOM 1447 O GLN A 93 -8.482 3.140 7.453 1.00 0.00 O ATOM 1448 CB GLN A 93 -9.200 6.135 8.261 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.167 6.194 7.121 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.070 7.558 6.448 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.441 7.715 5.285 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.514 8.533 7.138 1.00 0.00 N ATOM 0 H GLN A 93 -7.184 5.300 9.425 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.965 4.813 9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.197 6.287 7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.014 6.956 8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.188 5.924 7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.425 5.447 6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.217 8.372 8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.381 9.449 6.710 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.690 3.209 7.893 1.00 0.00 N ATOM 1462 CA PRO A 94 -11.005 2.140 6.971 1.00 0.00 C ATOM 1463 C PRO A 94 -10.969 2.707 5.547 1.00 0.00 C ATOM 1464 O PRO A 94 -11.575 3.744 5.267 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.396 1.653 7.368 1.00 0.00 C ATOM 1466 CG PRO A 94 -13.057 2.895 7.965 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.890 3.683 8.566 1.00 0.00 C ATOM 0 HA PRO A 94 -10.300 1.309 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.950 1.279 6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.344 0.840 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.580 3.474 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.793 2.630 8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.024 4.754 8.414 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.823 3.520 9.642 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.312 1.992 4.629 1.00 0.00 N ATOM 1476 CA LEU A 95 -10.178 2.391 3.219 1.00 0.00 C ATOM 1477 C LEU A 95 -11.534 2.703 2.585 1.00 0.00 C ATOM 1478 O LEU A 95 -11.630 3.623 1.772 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.474 1.317 2.383 1.00 0.00 C ATOM 1480 CG LEU A 95 -8.020 1.053 2.823 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.779 -0.454 2.917 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.035 1.694 1.846 1.00 0.00 C ATOM 0 H LEU A 95 -9.851 1.108 4.844 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.568 3.294 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.040 0.388 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.479 1.621 1.336 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.860 1.502 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.751 -0.639 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.463 -0.887 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.951 -0.911 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.015 1.496 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.184 1.274 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.203 2.770 1.814 1.00 0.00 H new ATOM 1494 N THR A 96 -12.552 1.898 2.885 1.00 0.00 N ATOM 1495 CA THR A 96 -13.925 2.051 2.419 1.00 0.00 C ATOM 1496 C THR A 96 -14.811 1.409 3.480 1.00 0.00 C ATOM 1497 O THR A 96 -14.439 0.391 4.066 1.00 0.00 O ATOM 1498 CB THR A 96 -14.188 1.416 1.036 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.245 0.428 0.664 1.00 0.00 O ATOM 1500 CG2 THR A 96 -14.207 2.475 -0.060 1.00 0.00 C ATOM 0 H THR A 96 -12.434 1.084 3.488 1.00 0.00 H new ATOM 0 HA THR A 96 -14.140 3.111 2.283 1.00 0.00 H new ATOM 0 HB THR A 96 -15.161 0.934 1.138 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.476 0.071 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.394 1.999 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.996 3.198 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.245 2.986 -0.089 1.00 0.00 H new ATOM 1508 N LYS A 97 -16.011 1.941 3.710 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.926 1.400 4.706 1.00 0.00 C ATOM 1510 C LYS A 97 -17.268 -0.051 4.384 1.00 0.00 C ATOM 1511 O LYS A 97 -17.307 -0.876 5.296 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.173 2.295 4.800 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.293 1.728 5.688 1.00 0.00 C ATOM 1514 CD LYS A 97 -18.891 1.490 7.148 1.00 0.00 C ATOM 1515 CE LYS A 97 -18.726 2.807 7.908 1.00 0.00 C ATOM 1516 NZ LYS A 97 -18.912 2.619 9.359 1.00 0.00 N ATOM 0 H LYS A 97 -16.372 2.755 3.212 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.448 1.398 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.878 3.270 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.567 2.456 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.139 2.414 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.635 0.785 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.648 0.878 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.957 0.930 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.734 3.217 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.448 3.535 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.794 3.531 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.867 2.251 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.206 1.943 9.715 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.493 -0.389 3.111 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.830 -1.762 2.727 1.00 0.00 C ATOM 1532 C LYS A 98 -16.730 -2.730 3.139 1.00 0.00 C ATOM 1533 O LYS A 98 -17.006 -3.689 3.864 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.121 -1.857 1.221 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.335 -1.028 0.787 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.655 -1.489 1.412 1.00 0.00 C ATOM 1537 CE LYS A 98 -21.783 -0.546 0.998 1.00 0.00 C ATOM 1538 NZ LYS A 98 -23.026 -0.880 1.714 1.00 0.00 N ATOM 0 H LYS A 98 -17.448 0.267 2.331 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.738 -2.047 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.244 -1.523 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.288 -2.901 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.164 0.015 1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.423 -1.071 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.883 -2.506 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.566 -1.509 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.500 0.485 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -21.946 -0.616 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -23.782 -0.229 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -23.304 -1.857 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.871 -0.791 2.739 1.00 0.00 H new ATOM 1552 N SER A 99 -15.500 -2.471 2.696 1.00 0.00 N ATOM 1553 CA SER A 99 -14.356 -3.302 3.018 1.00 0.00 C ATOM 1554 C SER A 99 -14.120 -3.314 4.532 1.00 0.00 C ATOM 1555 O SER A 99 -13.925 -4.388 5.098 1.00 0.00 O ATOM 1556 CB SER A 99 -13.135 -2.791 2.242 1.00 0.00 C ATOM 1557 OG SER A 99 -12.980 -3.528 1.046 1.00 0.00 O ATOM 0 H SER A 99 -15.275 -1.673 2.101 1.00 0.00 H new ATOM 0 HA SER A 99 -14.541 -4.334 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.256 -1.732 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.239 -2.884 2.855 1.00 0.00 H new ATOM 0 HG SER A 99 -12.142 -3.270 0.609 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.158 -2.160 5.203 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.946 -2.007 6.644 1.00 0.00 C ATOM 1565 C GLY A 100 -12.492 -2.238 7.074 1.00 0.00 C ATOM 1566 O GLY A 100 -12.159 -2.012 8.233 1.00 0.00 O ATOM 0 H GLY A 100 -14.345 -1.271 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.251 -1.004 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.590 -2.708 7.175 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.649 -2.667 6.138 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.236 -2.987 6.215 1.00 0.00 C ATOM 1572 C VAL A 101 -9.411 -1.749 6.552 1.00 0.00 C ATOM 1573 O VAL A 101 -9.682 -0.670 6.009 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.865 -3.559 4.832 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.384 -3.842 4.605 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.682 -4.819 4.499 1.00 0.00 C ATOM 0 H VAL A 101 -11.991 -2.815 5.189 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.027 -3.706 7.007 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.121 -2.747 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.239 -4.241 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.816 -2.918 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.036 -4.570 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.392 -5.192 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.490 -5.586 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.744 -4.573 4.494 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.373 -1.942 7.364 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.424 -0.944 7.849 1.00 0.00 C ATOM 1588 C VAL A 102 -6.000 -1.479 7.585 1.00 0.00 C ATOM 1589 O VAL A 102 -5.826 -2.672 7.321 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.697 -0.711 9.358 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.841 0.425 9.929 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.175 -0.387 9.647 1.00 0.00 C ATOM 0 H VAL A 102 -8.158 -2.871 7.727 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.529 0.013 7.338 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.433 -1.651 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.065 0.553 10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.785 0.181 9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.063 1.350 9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.311 -0.233 10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.461 0.518 9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.801 -1.217 9.317 1.00 0.00 H new ATOM 1602 N LEU A 103 -4.979 -0.613 7.590 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.578 -0.987 7.375 1.00 0.00 C ATOM 1604 C LEU A 103 -2.926 -1.102 8.738 1.00 0.00 C ATOM 1605 O LEU A 103 -2.969 -0.145 9.510 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.796 0.052 6.547 1.00 0.00 C ATOM 1607 CG LEU A 103 -2.997 -0.008 5.020 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.449 0.219 4.594 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.123 1.055 4.342 1.00 0.00 C ATOM 0 H LEU A 103 -5.108 0.387 7.747 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.558 -1.923 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.077 1.047 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.734 -0.070 6.758 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.713 -1.014 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.522 0.164 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.083 -0.548 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.777 1.202 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.267 1.010 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.405 2.043 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.075 0.868 4.576 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.320 -2.251 9.031 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.641 -2.478 10.304 1.00 0.00 C ATOM 1623 C HIS A 104 -0.135 -2.590 10.083 1.00 0.00 C ATOM 1624 O HIS A 104 0.633 -2.077 10.897 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.216 -3.702 11.029 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.608 -3.468 11.569 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -3.922 -2.761 12.711 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.784 -3.934 11.045 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.259 -2.786 12.852 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.823 -3.505 11.870 1.00 0.00 N ATOM 0 H HIS A 104 -2.286 -3.048 8.395 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.817 -1.622 10.955 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.236 -4.548 10.342 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.554 -3.975 11.851 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.888 -4.529 10.150 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.803 -2.295 13.646 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.817 -3.700 11.750 1.00 0.00 H new ATOM 1638 N ARG A 105 0.306 -3.231 8.994 1.00 0.00 N ATOM 1639 CA ARG A 105 1.724 -3.386 8.687 1.00 0.00 C ATOM 1640 C ARG A 105 1.881 -3.757 7.221 1.00 0.00 C ATOM 1641 O ARG A 105 0.966 -4.334 6.638 1.00 0.00 O ATOM 1642 CB ARG A 105 2.332 -4.489 9.579 1.00 0.00 C ATOM 1643 CG ARG A 105 3.867 -4.507 9.566 1.00 0.00 C ATOM 1644 CD ARG A 105 4.432 -3.271 10.275 1.00 0.00 C ATOM 1645 NE ARG A 105 5.889 -3.176 10.166 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.776 -3.721 11.001 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.444 -4.681 11.855 1.00 0.00 N ATOM 1648 NH2 ARG A 105 8.028 -3.299 11.003 1.00 0.00 N ATOM 0 H ARG A 105 -0.314 -3.655 8.304 1.00 0.00 H new ATOM 0 HA ARG A 105 2.246 -2.449 8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.986 -4.349 10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.962 -5.459 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.229 -5.410 10.057 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.226 -4.538 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.980 -2.375 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.151 -3.301 11.328 1.00 0.00 H new ATOM 0 HE ARG A 105 6.260 -2.644 9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.484 -5.025 11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.148 -5.075 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.317 -2.556 10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.706 -3.716 11.641 1.00 0.00 H new ATOM 1662 N ALA A 106 3.011 -3.393 6.619 1.00 0.00 N ATOM 1663 CA ALA A 106 3.289 -3.697 5.229 1.00 0.00 C ATOM 1664 C ALA A 106 4.145 -4.960 5.143 1.00 0.00 C ATOM 1665 O ALA A 106 4.907 -5.249 6.074 1.00 0.00 O ATOM 1666 CB ALA A 106 4.040 -2.525 4.603 1.00 0.00 C ATOM 0 H ALA A 106 3.757 -2.878 7.087 1.00 0.00 H new ATOM 0 HA ALA A 106 2.354 -3.861 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.253 -2.746 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.428 -1.625 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.976 -2.365 5.138 1.00 0.00 H new ATOM 1672 N VAL A 107 4.078 -5.707 4.043 1.00 0.00 N ATOM 1673 CA VAL A 107 4.868 -6.911 3.851 1.00 0.00 C ATOM 1674 C VAL A 107 6.082 -6.470 3.021 1.00 0.00 C ATOM 1675 O VAL A 107 5.881 -5.857 1.973 1.00 0.00 O ATOM 1676 CB VAL A 107 4.003 -7.961 3.142 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.841 -9.123 2.630 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.923 -8.545 4.066 1.00 0.00 C ATOM 0 H VAL A 107 3.467 -5.488 3.256 1.00 0.00 H new ATOM 0 HA VAL A 107 5.206 -7.371 4.779 1.00 0.00 H new ATOM 0 HB VAL A 107 3.532 -7.436 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.195 -9.847 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.582 -8.753 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.347 -9.603 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.337 -9.283 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.397 -9.021 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.268 -7.745 4.411 1.00 0.00 H new ATOM 1688 N PRO A 108 7.325 -6.723 3.462 1.00 0.00 N ATOM 1689 CA PRO A 108 8.511 -6.316 2.723 1.00 0.00 C ATOM 1690 C PRO A 108 8.910 -7.335 1.645 1.00 0.00 C ATOM 1691 O PRO A 108 8.635 -8.533 1.754 1.00 0.00 O ATOM 1692 CB PRO A 108 9.598 -6.237 3.797 1.00 0.00 C ATOM 1693 CG PRO A 108 9.230 -7.395 4.724 1.00 0.00 C ATOM 1694 CD PRO A 108 7.702 -7.417 4.685 1.00 0.00 C ATOM 0 HA PRO A 108 8.348 -5.380 2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.596 -6.356 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.585 -5.280 4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.653 -8.337 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.603 -7.233 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.326 -8.440 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.282 -6.922 5.561 1.00 0.00 H new ATOM 1702 N SER A 109 9.675 -6.879 0.656 1.00 0.00 N ATOM 1703 CA SER A 109 10.176 -7.692 -0.444 1.00 0.00 C ATOM 1704 C SER A 109 11.537 -8.314 -0.087 1.00 0.00 C ATOM 1705 O SER A 109 11.947 -9.289 -0.724 1.00 0.00 O ATOM 1706 CB SER A 109 10.238 -6.816 -1.709 1.00 0.00 C ATOM 1707 OG SER A 109 10.037 -7.578 -2.883 1.00 0.00 O ATOM 0 H SER A 109 9.971 -5.905 0.598 1.00 0.00 H new ATOM 0 HA SER A 109 9.504 -8.528 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.480 -6.035 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.206 -6.318 -1.760 1.00 0.00 H new ATOM 0 HG SER A 109 9.121 -7.926 -2.894 1.00 0.00 H new ATOM 1713 N GLY A 110 12.228 -7.807 0.943 1.00 0.00 N ATOM 1714 CA GLY A 110 13.529 -8.301 1.369 1.00 0.00 C ATOM 1715 C GLY A 110 13.510 -8.856 2.797 1.00 0.00 C ATOM 1716 O GLY A 110 13.307 -8.075 3.735 1.00 0.00 O ATOM 0 H GLY A 110 11.886 -7.029 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.859 -9.082 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.258 -7.493 1.307 1.00 0.00 H new ATOM 1720 N PRO A 111 13.752 -10.168 2.983 1.00 0.00 N ATOM 1721 CA PRO A 111 13.779 -10.840 4.279 1.00 0.00 C ATOM 1722 C PRO A 111 14.967 -10.425 5.161 1.00 0.00 C ATOM 1723 O PRO A 111 15.061 -10.895 6.298 1.00 0.00 O ATOM 1724 CB PRO A 111 13.794 -12.340 3.964 1.00 0.00 C ATOM 1725 CG PRO A 111 14.482 -12.405 2.604 1.00 0.00 C ATOM 1726 CD PRO A 111 14.002 -11.129 1.924 1.00 0.00 C ATOM 0 HA PRO A 111 12.908 -10.557 4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 111 14.341 -12.904 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 111 12.786 -12.753 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 111 15.567 -12.429 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 111 14.192 -13.295 2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.753 -10.754 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.097 -11.314 1.346 1.00 0.00 H new ATOM 1734 N SER A 112 15.886 -9.578 4.674 1.00 0.00 N ATOM 1735 CA SER A 112 17.026 -9.103 5.452 1.00 0.00 C ATOM 1736 C SER A 112 16.527 -8.319 6.669 1.00 0.00 C ATOM 1737 O SER A 112 17.234 -8.264 7.674 1.00 0.00 O ATOM 1738 CB SER A 112 17.919 -8.204 4.575 1.00 0.00 C ATOM 1739 OG SER A 112 19.018 -7.643 5.271 1.00 0.00 O ATOM 0 H SER A 112 15.854 -9.205 3.725 1.00 0.00 H new ATOM 0 HA SER A 112 17.611 -9.957 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.292 -8.788 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.313 -7.398 4.160 1.00 0.00 H new ATOM 0 HG SER A 112 19.543 -7.087 4.659 1.00 0.00 H new ATOM 1745 N SER A 113 15.345 -7.706 6.556 1.00 0.00 N ATOM 1746 CA SER A 113 14.661 -6.904 7.555 1.00 0.00 C ATOM 1747 C SER A 113 14.497 -7.713 8.851 1.00 0.00 C ATOM 1748 O SER A 113 13.634 -8.590 8.928 1.00 0.00 O ATOM 1749 CB SER A 113 13.317 -6.446 6.959 1.00 0.00 C ATOM 1750 OG SER A 113 13.479 -5.976 5.617 1.00 0.00 O ATOM 0 H SER A 113 14.805 -7.767 5.693 1.00 0.00 H new ATOM 0 HA SER A 113 15.238 -6.017 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.609 -7.274 6.974 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.894 -5.653 7.576 1.00 0.00 H new ATOM 0 HG SER A 113 13.320 -6.713 4.991 1.00 0.00 H new ATOM 1756 N GLY A 114 15.328 -7.434 9.854 1.00 0.00 N ATOM 1757 CA GLY A 114 15.336 -8.096 11.144 1.00 0.00 C ATOM 1758 C GLY A 114 16.615 -7.787 11.897 1.00 0.00 C ATOM 1759 O GLY A 114 17.570 -7.226 11.308 1.00 0.00 O ATOM 0 H GLY A 114 16.042 -6.709 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 114 14.476 -7.772 11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 114 15.240 -9.173 11.006 1.00 0.00 H new TER 1763 GLY A 114