USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 836 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 97:sc= -0.231 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= -0.105 USER MOD Set 2.2: A 106 SER OG : rot -157:sc= 0.319 USER MOD Set 3.1: A 17 SER OG : rot 165:sc= -1.8 USER MOD Set 3.2: A 69 THR OG1 : rot 180:sc= 0.65 USER MOD Set 3.3: A 82 GLN : amide:sc= 0.0286 X(o=-0.72,f=-0.8) USER MOD Set 3.4: A 84 ASN :FLIP amide:sc= 0.406! X(o=-1,f=-0.72!) USER MOD Set 4.1: A 7 SER OG : rot -67:sc= 0.855 USER MOD Set 4.2: A 21 SER OG : rot -86:sc= 2.02 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -168:sc= -0.067 (180deg=-0.246) USER MOD Single : A 3 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.7!) USER MOD Single : A 5 GLN : amide:sc= 1.09 K(o=1.1,f=-0.19) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot -50:sc= -1.72 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -53:sc= 0.737 USER MOD Single : A 31 THR OG1 : rot -11:sc= 0.16 USER MOD Single : A 34 MET CE :methyl 173:sc= -3.9! (180deg=-4.06!) USER MOD Single : A 39 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 63:sc= 1.08 USER MOD Single : A 52 ASN :FLIP amide:sc= -4.64! C(o=-7!,f=-4.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.33) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= -0.463 (180deg=-0.825) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -150:sc= -0.646 USER MOD Single : A 83 MET CE :methyl 172:sc= -11.3! (180deg=-11.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 94 TYR OH : rot 19:sc= -0.32 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.049) USER MOD Single : A 111 THR OG1 : rot 110:sc= -1.04 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.817 F(o=-2.3,f=-0.82) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 14.505 14.109 1.981 1.00 0.00 N ATOM 2 CA GLN A 1 15.302 13.218 1.098 1.00 0.00 C ATOM 3 C GLN A 1 14.433 12.119 0.495 1.00 0.00 C ATOM 4 O GLN A 1 14.704 11.632 -0.603 1.00 0.00 O ATOM 5 CB GLN A 1 16.435 12.602 1.921 1.00 0.00 C ATOM 6 CG GLN A 1 17.682 13.469 1.985 1.00 0.00 C ATOM 7 CD GLN A 1 18.960 12.658 1.889 1.00 0.00 C ATOM 8 OE1 GLN A 1 19.652 12.688 0.872 1.00 0.00 O ATOM 9 NE2 GLN A 1 19.278 11.928 2.952 1.00 0.00 N ATOM 0 H1 GLN A 1 15.062 14.956 2.214 1.00 0.00 H new ATOM 0 H2 GLN A 1 13.632 14.393 1.491 1.00 0.00 H new ATOM 0 H3 GLN A 1 14.262 13.603 2.857 1.00 0.00 H new ATOM 0 HA GLN A 1 15.711 13.803 0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 1 16.078 12.418 2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 1 16.697 11.634 1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 1 17.656 14.197 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 1 17.682 14.031 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 1 18.674 11.934 3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 1 20.126 11.362 2.946 1.00 0.00 H new ATOM 20 N VAL A 2 13.389 11.731 1.220 1.00 0.00 N ATOM 21 CA VAL A 2 12.480 10.689 0.758 1.00 0.00 C ATOM 22 C VAL A 2 11.101 11.265 0.448 1.00 0.00 C ATOM 23 O VAL A 2 10.720 12.309 0.978 1.00 0.00 O ATOM 24 CB VAL A 2 12.332 9.551 1.795 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.024 8.288 1.307 1.00 0.00 C ATOM 26 CG2 VAL A 2 12.878 9.968 3.155 1.00 0.00 C ATOM 0 H VAL A 2 13.151 12.123 2.131 1.00 0.00 H new ATOM 0 HA VAL A 2 12.916 10.276 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 2 11.269 9.342 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.908 7.499 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.576 7.968 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.084 8.490 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.760 9.147 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.935 10.217 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.331 10.839 3.515 1.00 0.00 H new ATOM 36 N GLN A 3 10.357 10.577 -0.412 1.00 0.00 N ATOM 37 CA GLN A 3 9.020 11.020 -0.793 1.00 0.00 C ATOM 38 C GLN A 3 8.152 9.836 -1.207 1.00 0.00 C ATOM 39 O GLN A 3 8.630 8.705 -1.296 1.00 0.00 O ATOM 40 CB GLN A 3 9.103 12.031 -1.938 1.00 0.00 C ATOM 41 CG GLN A 3 9.944 11.554 -3.110 1.00 0.00 C ATOM 42 CD GLN A 3 10.802 12.656 -3.699 1.00 0.00 C ATOM 43 OE1 GLN A 3 11.026 13.689 -3.068 1.00 0.00 O ATOM 44 NE2 GLN A 3 11.288 12.440 -4.916 1.00 0.00 N ATOM 0 H GLN A 3 10.657 9.710 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 3 8.562 11.498 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.095 12.252 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.520 12.964 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.585 10.735 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.288 11.156 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.077 11.569 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.873 13.145 -5.364 1.00 0.00 H new ATOM 53 N LEU A 4 6.875 10.104 -1.461 1.00 0.00 N ATOM 54 CA LEU A 4 5.941 9.059 -1.867 1.00 0.00 C ATOM 55 C LEU A 4 4.762 9.649 -2.637 1.00 0.00 C ATOM 56 O LEU A 4 4.194 10.665 -2.237 1.00 0.00 O ATOM 57 CB LEU A 4 5.436 8.294 -0.641 1.00 0.00 C ATOM 58 CG LEU A 4 6.428 7.289 -0.047 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.114 7.875 1.179 1.00 0.00 C ATOM 60 CD2 LEU A 4 5.724 5.987 0.305 1.00 0.00 C ATOM 0 H LEU A 4 6.463 11.035 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 4 6.470 8.369 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.166 9.014 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.524 7.763 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 4 7.190 7.075 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.815 7.147 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.654 8.779 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.365 8.120 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.445 5.286 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.940 6.183 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.282 5.558 -0.594 1.00 0.00 H new ATOM 72 N GLN A 5 4.402 9.007 -3.746 1.00 0.00 N ATOM 73 CA GLN A 5 3.291 9.474 -4.572 1.00 0.00 C ATOM 74 C GLN A 5 2.535 8.301 -5.193 1.00 0.00 C ATOM 75 O GLN A 5 3.136 7.414 -5.798 1.00 0.00 O ATOM 76 CB GLN A 5 3.805 10.402 -5.674 1.00 0.00 C ATOM 77 CG GLN A 5 2.704 10.953 -6.566 1.00 0.00 C ATOM 78 CD GLN A 5 2.965 10.702 -8.039 1.00 0.00 C ATOM 79 OE1 GLN A 5 3.993 11.113 -8.578 1.00 0.00 O ATOM 80 NE2 GLN A 5 2.033 10.024 -8.698 1.00 0.00 N ATOM 0 H GLN A 5 4.861 8.165 -4.093 1.00 0.00 H new ATOM 0 HA GLN A 5 2.603 10.024 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.341 11.233 -5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.523 9.859 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.754 10.498 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.606 12.025 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.196 9.702 -8.211 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.154 9.825 -9.691 1.00 0.00 H new ATOM 89 N GLU A 6 1.213 8.308 -5.038 1.00 0.00 N ATOM 90 CA GLU A 6 0.363 7.247 -5.581 1.00 0.00 C ATOM 91 C GLU A 6 -0.056 7.563 -7.013 1.00 0.00 C ATOM 92 O GLU A 6 0.073 8.698 -7.472 1.00 0.00 O ATOM 93 CB GLU A 6 -0.887 7.059 -4.712 1.00 0.00 C ATOM 94 CG GLU A 6 -0.722 7.540 -3.279 1.00 0.00 C ATOM 95 CD GLU A 6 -1.193 8.968 -3.088 1.00 0.00 C ATOM 96 OE1 GLU A 6 -2.237 9.331 -3.669 1.00 0.00 O ATOM 97 OE2 GLU A 6 -0.515 9.723 -2.361 1.00 0.00 O ATOM 0 H GLU A 6 0.704 9.038 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 6 0.943 6.324 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.719 7.593 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.154 6.002 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.282 6.884 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.327 7.466 -2.993 1.00 0.00 H new ATOM 104 N SER A 7 -0.564 6.553 -7.713 1.00 0.00 N ATOM 105 CA SER A 7 -1.009 6.728 -9.091 1.00 0.00 C ATOM 106 C SER A 7 -1.776 5.502 -9.578 1.00 0.00 C ATOM 107 O SER A 7 -1.205 4.423 -9.736 1.00 0.00 O ATOM 108 CB SER A 7 0.187 7.003 -10.007 1.00 0.00 C ATOM 109 OG SER A 7 0.720 5.801 -10.534 1.00 0.00 O ATOM 0 H SER A 7 -0.677 5.607 -7.349 1.00 0.00 H new ATOM 0 HA SER A 7 -1.681 7.585 -9.123 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.121 7.656 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.960 7.532 -9.450 1.00 0.00 H new ATOM 0 HG SER A 7 1.126 5.278 -9.811 1.00 0.00 H new ATOM 115 N GLY A 8 -3.073 5.677 -9.814 1.00 0.00 N ATOM 116 CA GLY A 8 -3.897 4.577 -10.282 1.00 0.00 C ATOM 117 C GLY A 8 -5.139 4.375 -9.434 1.00 0.00 C ATOM 118 O GLY A 8 -6.146 3.853 -9.911 1.00 0.00 O ATOM 0 H GLY A 8 -3.568 6.560 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.193 4.764 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.307 3.660 -10.280 1.00 0.00 H new ATOM 122 N GLY A 9 -5.066 4.787 -8.171 1.00 0.00 N ATOM 123 CA GLY A 9 -6.188 4.639 -7.272 1.00 0.00 C ATOM 124 C GLY A 9 -7.470 5.221 -7.828 1.00 0.00 C ATOM 125 O GLY A 9 -7.464 6.275 -8.465 1.00 0.00 O ATOM 0 H GLY A 9 -4.242 5.223 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.338 3.581 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.955 5.126 -6.325 1.00 0.00 H new ATOM 129 N GLY A 10 -8.570 4.527 -7.581 1.00 0.00 N ATOM 130 CA GLY A 10 -9.861 4.977 -8.056 1.00 0.00 C ATOM 131 C GLY A 10 -10.988 4.073 -7.605 1.00 0.00 C ATOM 132 O GLY A 10 -10.769 3.103 -6.879 1.00 0.00 O ATOM 0 H GLY A 10 -8.591 3.653 -7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.045 5.989 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.849 5.023 -9.145 1.00 0.00 H new ATOM 136 N LEU A 11 -12.198 4.403 -8.030 1.00 0.00 N ATOM 137 CA LEU A 11 -13.377 3.638 -7.671 1.00 0.00 C ATOM 138 C LEU A 11 -13.375 2.266 -8.338 1.00 0.00 C ATOM 139 O LEU A 11 -12.995 2.129 -9.501 1.00 0.00 O ATOM 140 CB LEU A 11 -14.631 4.408 -8.067 1.00 0.00 C ATOM 141 CG LEU A 11 -14.700 5.808 -7.472 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.639 6.864 -8.566 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.956 5.977 -6.629 1.00 0.00 C ATOM 0 H LEU A 11 -12.388 5.205 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.367 3.486 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.674 4.482 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.509 3.844 -7.751 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.835 5.942 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.690 7.856 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.704 6.763 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.479 6.731 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.983 6.985 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.836 5.817 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.949 5.251 -5.816 1.00 0.00 H new ATOM 155 N VAL A 12 -13.803 1.254 -7.592 1.00 0.00 N ATOM 156 CA VAL A 12 -13.852 -0.110 -8.107 1.00 0.00 C ATOM 157 C VAL A 12 -14.985 -0.901 -7.459 1.00 0.00 C ATOM 158 O VAL A 12 -15.042 -1.033 -6.238 1.00 0.00 O ATOM 159 CB VAL A 12 -12.521 -0.847 -7.874 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.193 -0.908 -6.390 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.565 -2.244 -8.477 1.00 0.00 C ATOM 0 H VAL A 12 -14.121 1.352 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.032 -0.038 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.730 -0.288 -8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.248 -1.433 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.109 0.104 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.986 -1.439 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.614 -2.747 -8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.369 -2.815 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.744 -2.172 -9.550 1.00 0.00 H new ATOM 171 N GLN A 13 -15.884 -1.425 -8.286 1.00 0.00 N ATOM 172 CA GLN A 13 -17.014 -2.201 -7.794 1.00 0.00 C ATOM 173 C GLN A 13 -16.548 -3.413 -6.995 1.00 0.00 C ATOM 174 O GLN A 13 -15.572 -4.071 -7.356 1.00 0.00 O ATOM 175 CB GLN A 13 -17.891 -2.645 -8.957 1.00 0.00 C ATOM 176 CG GLN A 13 -19.117 -1.771 -9.164 1.00 0.00 C ATOM 177 CD GLN A 13 -19.429 -1.544 -10.630 1.00 0.00 C ATOM 178 OE1 GLN A 13 -19.095 -0.502 -11.193 1.00 0.00 O ATOM 179 NE2 GLN A 13 -20.074 -2.522 -11.255 1.00 0.00 N ATOM 0 H GLN A 13 -15.851 -1.326 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.596 -1.563 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.296 -2.644 -9.870 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.212 -3.673 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.976 -2.236 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.960 -0.809 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -20.331 -3.369 -10.748 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.312 -2.426 -12.242 1.00 0.00 H new ATOM 188 N ALA A 14 -17.253 -3.701 -5.905 1.00 0.00 N ATOM 189 CA ALA A 14 -16.921 -4.827 -5.047 1.00 0.00 C ATOM 190 C ALA A 14 -16.831 -6.123 -5.844 1.00 0.00 C ATOM 191 O ALA A 14 -17.501 -6.288 -6.864 1.00 0.00 O ATOM 192 CB ALA A 14 -17.949 -4.962 -3.934 1.00 0.00 C ATOM 0 H ALA A 14 -18.063 -3.164 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.943 -4.636 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.689 -5.809 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.960 -4.050 -3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.936 -5.124 -4.368 1.00 0.00 H new ATOM 198 N GLY A 15 -15.996 -7.040 -5.370 1.00 0.00 N ATOM 199 CA GLY A 15 -15.828 -8.313 -6.047 1.00 0.00 C ATOM 200 C GLY A 15 -14.882 -8.230 -7.232 1.00 0.00 C ATOM 201 O GLY A 15 -14.606 -9.238 -7.882 1.00 0.00 O ATOM 0 H GLY A 15 -15.432 -6.925 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.450 -9.049 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.800 -8.669 -6.388 1.00 0.00 H new ATOM 205 N GLY A 16 -14.381 -7.030 -7.515 1.00 0.00 N ATOM 206 CA GLY A 16 -13.469 -6.852 -8.628 1.00 0.00 C ATOM 207 C GLY A 16 -12.023 -6.767 -8.183 1.00 0.00 C ATOM 208 O GLY A 16 -11.659 -7.286 -7.128 1.00 0.00 O ATOM 0 H GLY A 16 -14.591 -6.179 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.584 -7.683 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.734 -5.944 -9.169 1.00 0.00 H new ATOM 212 N SER A 17 -11.194 -6.112 -8.990 1.00 0.00 N ATOM 213 CA SER A 17 -9.781 -5.964 -8.673 1.00 0.00 C ATOM 214 C SER A 17 -9.274 -4.579 -9.050 1.00 0.00 C ATOM 215 O SER A 17 -9.605 -4.051 -10.112 1.00 0.00 O ATOM 216 CB SER A 17 -8.964 -7.029 -9.398 1.00 0.00 C ATOM 217 OG SER A 17 -7.856 -7.444 -8.618 1.00 0.00 O ATOM 0 H SER A 17 -11.478 -5.676 -9.867 1.00 0.00 H new ATOM 0 HA SER A 17 -9.664 -6.090 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.597 -7.888 -9.621 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.613 -6.635 -10.352 1.00 0.00 H new ATOM 0 HG SER A 17 -7.495 -8.280 -8.981 1.00 0.00 H new ATOM 223 N LEU A 18 -8.462 -3.997 -8.174 1.00 0.00 N ATOM 224 CA LEU A 18 -7.901 -2.679 -8.413 1.00 0.00 C ATOM 225 C LEU A 18 -6.399 -2.686 -8.146 1.00 0.00 C ATOM 226 O LEU A 18 -5.915 -3.440 -7.303 1.00 0.00 O ATOM 227 CB LEU A 18 -8.597 -1.642 -7.534 1.00 0.00 C ATOM 228 CG LEU A 18 -8.171 -0.205 -7.800 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.862 0.336 -9.042 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.467 0.674 -6.594 1.00 0.00 C ATOM 0 H LEU A 18 -8.179 -4.421 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.064 -2.413 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.674 -1.722 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.400 -1.879 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.095 -0.193 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.545 1.364 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.595 -0.277 -9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.942 0.309 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.155 1.697 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.537 0.656 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.922 0.299 -5.728 1.00 0.00 H new ATOM 242 N ARG A 19 -5.663 -1.856 -8.878 1.00 0.00 N ATOM 243 CA ARG A 19 -4.215 -1.790 -8.721 1.00 0.00 C ATOM 244 C ARG A 19 -3.749 -0.371 -8.415 1.00 0.00 C ATOM 245 O ARG A 19 -4.045 0.566 -9.158 1.00 0.00 O ATOM 246 CB ARG A 19 -3.526 -2.297 -9.989 1.00 0.00 C ATOM 247 CG ARG A 19 -2.008 -2.278 -9.908 1.00 0.00 C ATOM 248 CD ARG A 19 -1.427 -1.032 -10.558 1.00 0.00 C ATOM 249 NE ARG A 19 -1.483 -1.094 -12.019 1.00 0.00 N ATOM 250 CZ ARG A 19 -2.430 -0.515 -12.757 1.00 0.00 C ATOM 251 NH1 ARG A 19 -3.417 0.163 -12.184 1.00 0.00 N ATOM 252 NH2 ARG A 19 -2.390 -0.618 -14.079 1.00 0.00 N ATOM 0 H ARG A 19 -6.043 -1.223 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.943 -2.425 -7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.858 -3.316 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.844 -1.686 -10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.698 -2.322 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.606 -3.165 -10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.974 -0.155 -10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.392 -0.908 -10.241 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.751 -1.613 -12.503 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.457 0.245 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.136 0.602 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.636 -1.139 -14.527 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.113 -0.176 -14.647 1.00 0.00 H new ATOM 266 N LEU A 20 -3.005 -0.223 -7.323 1.00 0.00 N ATOM 267 CA LEU A 20 -2.480 1.078 -6.927 1.00 0.00 C ATOM 268 C LEU A 20 -0.960 1.067 -6.970 1.00 0.00 C ATOM 269 O LEU A 20 -0.326 0.091 -6.566 1.00 0.00 O ATOM 270 CB LEU A 20 -2.955 1.456 -5.523 1.00 0.00 C ATOM 271 CG LEU A 20 -4.353 0.963 -5.156 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.704 1.366 -3.731 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.381 1.503 -6.141 1.00 0.00 C ATOM 0 H LEU A 20 -2.753 -0.988 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.855 1.821 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.245 1.059 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.934 2.542 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.364 -0.125 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.704 1.006 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.982 0.929 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.678 2.452 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.372 1.143 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.371 2.593 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.136 1.160 -7.146 1.00 0.00 H new ATOM 285 N SER A 21 -0.381 2.151 -7.464 1.00 0.00 N ATOM 286 CA SER A 21 1.067 2.260 -7.562 1.00 0.00 C ATOM 287 C SER A 21 1.574 3.488 -6.819 1.00 0.00 C ATOM 288 O SER A 21 1.043 4.587 -6.977 1.00 0.00 O ATOM 289 CB SER A 21 1.495 2.322 -9.027 1.00 0.00 C ATOM 290 OG SER A 21 1.312 3.622 -9.558 1.00 0.00 O ATOM 0 H SER A 21 -0.891 2.967 -7.803 1.00 0.00 H new ATOM 0 HA SER A 21 1.504 1.375 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.543 2.034 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.917 1.604 -9.608 1.00 0.00 H new ATOM 0 HG SER A 21 0.393 3.716 -9.884 1.00 0.00 H new ATOM 296 N CYS A 22 2.611 3.294 -6.012 1.00 0.00 N ATOM 297 CA CYS A 22 3.197 4.390 -5.249 1.00 0.00 C ATOM 298 C CYS A 22 4.712 4.405 -5.403 1.00 0.00 C ATOM 299 O CYS A 22 5.373 3.381 -5.249 1.00 0.00 O ATOM 300 CB CYS A 22 2.823 4.282 -3.769 1.00 0.00 C ATOM 301 SG CYS A 22 3.267 5.746 -2.778 1.00 0.00 S ATOM 0 H CYS A 22 3.062 2.390 -5.869 1.00 0.00 H new ATOM 0 HA CYS A 22 2.796 5.324 -5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.749 4.115 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.315 3.407 -3.344 1.00 0.00 H new ATOM 306 N ALA A 23 5.255 5.573 -5.710 1.00 0.00 N ATOM 307 CA ALA A 23 6.693 5.719 -5.890 1.00 0.00 C ATOM 308 C ALA A 23 7.374 6.114 -4.586 1.00 0.00 C ATOM 309 O ALA A 23 6.715 6.518 -3.628 1.00 0.00 O ATOM 310 CB ALA A 23 6.988 6.744 -6.974 1.00 0.00 C ATOM 0 H ALA A 23 4.723 6.434 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 23 7.094 4.754 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.066 6.843 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.543 6.418 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.566 7.707 -6.688 1.00 0.00 H new ATOM 316 N ALA A 24 8.697 5.993 -4.557 1.00 0.00 N ATOM 317 CA ALA A 24 9.472 6.336 -3.372 1.00 0.00 C ATOM 318 C ALA A 24 10.917 6.660 -3.740 1.00 0.00 C ATOM 319 O ALA A 24 11.250 6.806 -4.916 1.00 0.00 O ATOM 320 CB ALA A 24 9.422 5.199 -2.363 1.00 0.00 C ATOM 0 H ALA A 24 9.255 5.659 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 24 9.031 7.225 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.005 5.468 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.388 5.016 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.837 4.296 -2.811 1.00 0.00 H new ATOM 326 N SER A 25 11.771 6.771 -2.727 1.00 0.00 N ATOM 327 CA SER A 25 13.180 7.077 -2.948 1.00 0.00 C ATOM 328 C SER A 25 13.966 5.810 -3.273 1.00 0.00 C ATOM 329 O SER A 25 13.544 4.703 -2.938 1.00 0.00 O ATOM 330 CB SER A 25 13.775 7.759 -1.715 1.00 0.00 C ATOM 331 OG SER A 25 14.124 6.809 -0.723 1.00 0.00 O ATOM 0 H SER A 25 11.513 6.654 -1.747 1.00 0.00 H new ATOM 0 HA SER A 25 13.251 7.755 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.658 8.330 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.056 8.469 -1.306 1.00 0.00 H new ATOM 0 HG SER A 25 13.366 6.209 -0.564 1.00 0.00 H new ATOM 337 N GLY A 26 15.109 5.981 -3.928 1.00 0.00 N ATOM 338 CA GLY A 26 15.934 4.842 -4.287 1.00 0.00 C ATOM 339 C GLY A 26 17.141 4.691 -3.382 1.00 0.00 C ATOM 340 O GLY A 26 17.418 3.600 -2.882 1.00 0.00 O ATOM 0 H GLY A 26 15.479 6.887 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.333 3.934 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.269 4.951 -5.319 1.00 0.00 H new ATOM 344 N ARG A 27 17.861 5.788 -3.170 1.00 0.00 N ATOM 345 CA ARG A 27 19.043 5.776 -2.321 1.00 0.00 C ATOM 346 C ARG A 27 18.660 5.602 -0.854 1.00 0.00 C ATOM 347 O ARG A 27 18.570 6.576 -0.106 1.00 0.00 O ATOM 348 CB ARG A 27 19.830 7.072 -2.505 1.00 0.00 C ATOM 349 CG ARG A 27 20.577 7.149 -3.827 1.00 0.00 C ATOM 350 CD ARG A 27 20.640 8.575 -4.350 1.00 0.00 C ATOM 351 NE ARG A 27 21.690 9.351 -3.695 1.00 0.00 N ATOM 352 CZ ARG A 27 22.978 9.277 -4.022 1.00 0.00 C ATOM 353 NH1 ARG A 27 23.378 8.466 -4.994 1.00 0.00 N ATOM 354 NH2 ARG A 27 23.869 10.016 -3.375 1.00 0.00 N ATOM 0 H ARG A 27 17.644 6.698 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 27 19.666 4.931 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.144 7.916 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 27 20.544 7.173 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.588 6.763 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.084 6.512 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.818 8.559 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.678 9.062 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 27 21.421 9.986 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.697 7.895 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.366 8.414 -5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.567 10.641 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.856 9.960 -3.625 1.00 0.00 H new ATOM 368 N THR A 28 18.433 4.356 -0.449 1.00 0.00 N ATOM 369 CA THR A 28 18.057 4.058 0.928 1.00 0.00 C ATOM 370 C THR A 28 18.863 2.882 1.474 1.00 0.00 C ATOM 371 O THR A 28 19.067 1.883 0.785 1.00 0.00 O ATOM 372 CB THR A 28 16.561 3.748 1.015 1.00 0.00 C ATOM 373 OG1 THR A 28 16.076 3.267 -0.226 1.00 0.00 O ATOM 374 CG2 THR A 28 15.723 4.946 1.402 1.00 0.00 C ATOM 0 H THR A 28 18.503 3.538 -1.054 1.00 0.00 H new ATOM 0 HA THR A 28 18.276 4.937 1.534 1.00 0.00 H new ATOM 0 HB THR A 28 16.467 2.993 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.118 3.073 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.673 4.657 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.040 5.311 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.852 5.735 0.661 1.00 0.00 H new ATOM 382 N GLY A 29 19.315 3.010 2.717 1.00 0.00 N ATOM 383 CA GLY A 29 20.088 1.955 3.339 1.00 0.00 C ATOM 384 C GLY A 29 19.815 1.841 4.824 1.00 0.00 C ATOM 385 O GLY A 29 20.691 1.457 5.599 1.00 0.00 O ATOM 0 H GLY A 29 19.158 3.829 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.858 1.006 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.150 2.144 3.181 1.00 0.00 H new ATOM 389 N SER A 30 18.594 2.182 5.219 1.00 0.00 N ATOM 390 CA SER A 30 18.194 2.126 6.618 1.00 0.00 C ATOM 391 C SER A 30 16.919 1.306 6.786 1.00 0.00 C ATOM 392 O SER A 30 15.992 1.718 7.485 1.00 0.00 O ATOM 393 CB SER A 30 17.971 3.540 7.148 1.00 0.00 C ATOM 394 OG SER A 30 17.633 3.524 8.524 1.00 0.00 O ATOM 0 H SER A 30 17.861 2.502 4.586 1.00 0.00 H new ATOM 0 HA SER A 30 18.991 1.645 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.873 4.133 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.175 4.022 6.581 1.00 0.00 H new ATOM 0 HG SER A 30 16.874 2.921 8.667 1.00 0.00 H new ATOM 400 N THR A 31 16.873 0.149 6.136 1.00 0.00 N ATOM 401 CA THR A 31 15.704 -0.720 6.210 1.00 0.00 C ATOM 402 C THR A 31 14.450 0.032 5.777 1.00 0.00 C ATOM 403 O THR A 31 13.360 -0.201 6.299 1.00 0.00 O ATOM 404 CB THR A 31 15.526 -1.261 7.631 1.00 0.00 C ATOM 405 OG1 THR A 31 14.919 -0.291 8.464 1.00 0.00 O ATOM 406 CG2 THR A 31 16.826 -1.678 8.284 1.00 0.00 C ATOM 0 H THR A 31 17.630 -0.209 5.553 1.00 0.00 H new ATOM 0 HA THR A 31 15.860 -1.559 5.533 1.00 0.00 H new ATOM 0 HB THR A 31 14.894 -2.143 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.901 0.572 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 31 16.625 -2.051 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.295 -2.464 7.692 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.495 -0.820 8.343 1.00 0.00 H new ATOM 414 N TYR A 32 14.619 0.940 4.822 1.00 0.00 N ATOM 415 CA TYR A 32 13.511 1.739 4.316 1.00 0.00 C ATOM 416 C TYR A 32 12.535 0.879 3.520 1.00 0.00 C ATOM 417 O TYR A 32 12.555 0.872 2.290 1.00 0.00 O ATOM 418 CB TYR A 32 14.043 2.871 3.439 1.00 0.00 C ATOM 419 CG TYR A 32 12.987 3.861 3.001 1.00 0.00 C ATOM 420 CD1 TYR A 32 12.629 4.929 3.815 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.355 3.733 1.771 1.00 0.00 C ATOM 422 CE1 TYR A 32 11.669 5.839 3.415 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.396 4.640 1.363 1.00 0.00 C ATOM 424 CZ TYR A 32 11.057 5.691 2.188 1.00 0.00 C ATOM 425 OH TYR A 32 10.102 6.596 1.786 1.00 0.00 O ATOM 0 H TYR A 32 15.517 1.141 4.382 1.00 0.00 H new ATOM 0 HA TYR A 32 12.978 2.161 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.821 3.404 3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.512 2.441 2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.109 5.050 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.618 2.910 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.399 6.662 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.915 4.526 0.403 1.00 0.00 H new ATOM 0 HH TYR A 32 9.771 6.349 0.897 1.00 0.00 H new ATOM 435 N ASP A 33 11.678 0.162 4.238 1.00 0.00 N ATOM 436 CA ASP A 33 10.683 -0.700 3.612 1.00 0.00 C ATOM 437 C ASP A 33 9.543 0.135 3.038 1.00 0.00 C ATOM 438 O ASP A 33 9.544 1.360 3.159 1.00 0.00 O ATOM 439 CB ASP A 33 10.135 -1.702 4.630 1.00 0.00 C ATOM 440 CG ASP A 33 11.214 -2.612 5.184 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.203 -2.866 4.465 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.070 -3.070 6.337 1.00 0.00 O ATOM 0 H ASP A 33 11.653 0.161 5.258 1.00 0.00 H new ATOM 0 HA ASP A 33 11.161 -1.247 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.663 -1.161 5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.360 -2.307 4.159 1.00 0.00 H new ATOM 447 N MET A 34 8.571 -0.525 2.416 1.00 0.00 N ATOM 448 CA MET A 34 7.435 0.183 1.835 1.00 0.00 C ATOM 449 C MET A 34 6.165 -0.657 1.900 1.00 0.00 C ATOM 450 O MET A 34 6.161 -1.823 1.511 1.00 0.00 O ATOM 451 CB MET A 34 7.735 0.574 0.386 1.00 0.00 C ATOM 452 CG MET A 34 8.025 2.056 0.210 1.00 0.00 C ATOM 453 SD MET A 34 7.052 2.809 -1.109 1.00 0.00 S ATOM 454 CE MET A 34 5.394 2.354 -0.608 1.00 0.00 C ATOM 0 H MET A 34 8.546 -1.538 2.302 1.00 0.00 H new ATOM 0 HA MET A 34 7.271 1.087 2.421 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.591 -0.001 0.032 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.886 0.300 -0.240 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.821 2.575 1.147 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.085 2.191 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.670 2.850 -1.254 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.273 1.274 -0.690 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.229 2.660 0.425 1.00 0.00 H new ATOM 464 N GLY A 35 5.088 -0.053 2.392 1.00 0.00 N ATOM 465 CA GLY A 35 3.825 -0.760 2.498 1.00 0.00 C ATOM 466 C GLY A 35 2.630 0.170 2.442 1.00 0.00 C ATOM 467 O GLY A 35 2.740 1.354 2.761 1.00 0.00 O ATOM 0 H GLY A 35 5.067 0.913 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.752 -1.489 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.803 -1.318 3.434 1.00 0.00 H new ATOM 471 N TRP A 36 1.484 -0.367 2.031 1.00 0.00 N ATOM 472 CA TRP A 36 0.267 0.419 1.931 1.00 0.00 C ATOM 473 C TRP A 36 -0.482 0.447 3.252 1.00 0.00 C ATOM 474 O TRP A 36 -0.325 -0.436 4.097 1.00 0.00 O ATOM 475 CB TRP A 36 -0.634 -0.141 0.840 1.00 0.00 C ATOM 476 CG TRP A 36 -0.150 0.148 -0.548 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.769 -0.566 -1.261 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.563 1.229 -1.393 1.00 0.00 C ATOM 479 NE1 TRP A 36 0.954 0.004 -2.498 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.147 1.108 -2.602 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.465 2.287 -1.244 1.00 0.00 C ATOM 482 CZ2 TRP A 36 -0.017 2.005 -3.656 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.627 3.176 -2.290 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.906 3.030 -3.483 1.00 0.00 C ATOM 0 H TRP A 36 1.377 -1.345 1.762 1.00 0.00 H new ATOM 0 HA TRP A 36 0.550 1.440 1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.718 -1.220 0.969 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.635 0.273 0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.277 -1.450 -0.905 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.588 -0.338 -3.220 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.025 2.407 -0.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.538 1.895 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.321 3.997 -2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.055 3.741 -4.282 1.00 0.00 H new ATOM 495 N PHE A 37 -1.290 1.481 3.420 1.00 0.00 N ATOM 496 CA PHE A 37 -2.066 1.666 4.625 1.00 0.00 C ATOM 497 C PHE A 37 -3.461 2.182 4.290 1.00 0.00 C ATOM 498 O PHE A 37 -3.801 2.363 3.121 1.00 0.00 O ATOM 499 CB PHE A 37 -1.348 2.661 5.528 1.00 0.00 C ATOM 500 CG PHE A 37 -0.411 2.021 6.508 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.733 1.372 6.075 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.675 2.070 7.868 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.596 0.782 6.979 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.184 1.483 8.776 1.00 0.00 C ATOM 505 CZ PHE A 37 1.321 0.837 8.331 1.00 0.00 C ATOM 0 H PHE A 37 -1.423 2.213 2.722 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.169 0.709 5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.788 3.362 4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.090 3.242 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.953 1.326 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.563 2.573 8.222 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.485 0.278 6.628 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.033 1.529 9.833 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.994 0.376 9.039 1.00 0.00 H new ATOM 515 N ARG A 38 -4.262 2.425 5.319 1.00 0.00 N ATOM 516 CA ARG A 38 -5.616 2.930 5.125 1.00 0.00 C ATOM 517 C ARG A 38 -6.015 3.874 6.255 1.00 0.00 C ATOM 518 O ARG A 38 -5.440 3.831 7.343 1.00 0.00 O ATOM 519 CB ARG A 38 -6.618 1.781 5.030 1.00 0.00 C ATOM 520 CG ARG A 38 -5.997 0.432 4.697 1.00 0.00 C ATOM 521 CD ARG A 38 -7.005 -0.698 4.842 1.00 0.00 C ATOM 522 NE ARG A 38 -8.318 -0.336 4.312 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.453 -0.936 4.665 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.441 -1.935 5.540 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.604 -0.537 4.140 1.00 0.00 N ATOM 0 H ARG A 38 -3.999 2.281 6.294 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.629 3.485 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.149 1.699 5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.360 2.024 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.613 0.449 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.147 0.249 5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.636 -1.582 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.101 -0.965 5.894 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.368 0.422 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.559 -2.247 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.314 -2.390 5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.619 0.229 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.474 -0.996 4.410 1.00 0.00 H new ATOM 539 N GLN A 39 -7.002 4.727 5.992 1.00 0.00 N ATOM 540 CA GLN A 39 -7.472 5.679 6.992 1.00 0.00 C ATOM 541 C GLN A 39 -8.860 6.210 6.643 1.00 0.00 C ATOM 542 O GLN A 39 -9.297 6.133 5.495 1.00 0.00 O ATOM 543 CB GLN A 39 -6.485 6.843 7.121 1.00 0.00 C ATOM 544 CG GLN A 39 -5.976 7.052 8.538 1.00 0.00 C ATOM 545 CD GLN A 39 -7.001 7.716 9.435 1.00 0.00 C ATOM 546 OE1 GLN A 39 -7.957 8.329 8.959 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.806 7.598 10.743 1.00 0.00 N ATOM 0 H GLN A 39 -7.490 4.778 5.098 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.538 5.156 7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.636 6.664 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.968 7.758 6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.695 6.089 8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.074 7.663 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.000 7.081 11.094 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.462 8.025 11.397 1.00 0.00 H new ATOM 556 N ALA A 40 -9.543 6.751 7.647 1.00 0.00 N ATOM 557 CA ALA A 40 -10.880 7.301 7.461 1.00 0.00 C ATOM 558 C ALA A 40 -11.221 8.276 8.585 1.00 0.00 C ATOM 559 O ALA A 40 -10.669 8.185 9.682 1.00 0.00 O ATOM 560 CB ALA A 40 -11.908 6.182 7.399 1.00 0.00 C ATOM 0 H ALA A 40 -9.190 6.820 8.601 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.901 7.845 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.902 6.608 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.676 5.521 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.884 5.614 8.329 1.00 0.00 H new ATOM 566 N PRO A 41 -12.134 9.229 8.330 1.00 0.00 N ATOM 567 CA PRO A 41 -12.533 10.219 9.334 1.00 0.00 C ATOM 568 C PRO A 41 -13.285 9.592 10.494 1.00 0.00 C ATOM 569 O PRO A 41 -14.128 8.715 10.306 1.00 0.00 O ATOM 570 CB PRO A 41 -13.431 11.184 8.558 1.00 0.00 C ATOM 571 CG PRO A 41 -13.939 10.388 7.405 1.00 0.00 C ATOM 572 CD PRO A 41 -12.843 9.420 7.052 1.00 0.00 C ATOM 0 HA PRO A 41 -11.671 10.706 9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.250 11.548 9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.874 12.058 8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.855 9.860 7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.176 11.034 6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.243 8.481 6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.184 9.822 6.283 1.00 0.00 H new ATOM 580 N GLY A 42 -12.950 10.033 11.702 1.00 0.00 N ATOM 581 CA GLY A 42 -13.579 9.489 12.885 1.00 0.00 C ATOM 582 C GLY A 42 -13.124 8.068 13.157 1.00 0.00 C ATOM 583 O GLY A 42 -13.580 7.434 14.109 1.00 0.00 O ATOM 0 H GLY A 42 -12.254 10.757 11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.344 10.117 13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.662 9.508 12.763 1.00 0.00 H new ATOM 587 N LYS A 43 -12.228 7.562 12.308 1.00 0.00 N ATOM 588 CA LYS A 43 -11.719 6.211 12.446 1.00 0.00 C ATOM 589 C LYS A 43 -10.222 6.214 12.740 1.00 0.00 C ATOM 590 O LYS A 43 -9.606 7.272 12.872 1.00 0.00 O ATOM 591 CB LYS A 43 -11.993 5.451 11.156 1.00 0.00 C ATOM 592 CG LYS A 43 -12.235 3.963 11.355 1.00 0.00 C ATOM 593 CD LYS A 43 -13.565 3.526 10.760 1.00 0.00 C ATOM 594 CE LYS A 43 -14.298 2.562 11.680 1.00 0.00 C ATOM 595 NZ LYS A 43 -15.354 3.248 12.473 1.00 0.00 N ATOM 0 H LYS A 43 -11.843 8.077 11.516 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.222 5.726 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.863 5.888 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.147 5.584 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.426 3.397 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.219 3.731 12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.188 4.401 10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.394 3.050 9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.748 1.766 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.584 2.091 12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.830 2.557 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.921 3.991 13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.049 3.676 11.829 1.00 0.00 H new ATOM 609 N GLU A 44 -9.641 5.022 12.831 1.00 0.00 N ATOM 610 CA GLU A 44 -8.216 4.881 13.097 1.00 0.00 C ATOM 611 C GLU A 44 -7.491 4.374 11.854 1.00 0.00 C ATOM 612 O GLU A 44 -8.108 3.792 10.962 1.00 0.00 O ATOM 613 CB GLU A 44 -7.982 3.922 14.267 1.00 0.00 C ATOM 614 CG GLU A 44 -8.911 4.157 15.448 1.00 0.00 C ATOM 615 CD GLU A 44 -8.335 5.130 16.458 1.00 0.00 C ATOM 616 OE1 GLU A 44 -7.413 5.889 16.093 1.00 0.00 O ATOM 617 OE2 GLU A 44 -8.806 5.132 17.615 1.00 0.00 O ATOM 0 H GLU A 44 -10.138 4.138 12.724 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.818 5.861 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.108 2.898 13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.950 4.019 14.604 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.865 4.539 15.085 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.115 3.206 15.940 1.00 0.00 H new ATOM 624 N ARG A 45 -6.182 4.600 11.795 1.00 0.00 N ATOM 625 CA ARG A 45 -5.391 4.162 10.650 1.00 0.00 C ATOM 626 C ARG A 45 -5.032 2.683 10.763 1.00 0.00 C ATOM 627 O ARG A 45 -4.766 2.177 11.853 1.00 0.00 O ATOM 628 CB ARG A 45 -4.123 5.019 10.508 1.00 0.00 C ATOM 629 CG ARG A 45 -2.971 4.605 11.417 1.00 0.00 C ATOM 630 CD ARG A 45 -1.625 4.894 10.771 1.00 0.00 C ATOM 631 NE ARG A 45 -0.643 5.378 11.738 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.179 4.652 12.753 1.00 0.00 C ATOM 633 NH1 ARG A 45 -0.601 3.407 12.935 1.00 0.00 N ATOM 634 NH2 ARG A 45 0.712 5.172 13.586 1.00 0.00 N ATOM 0 H ARG A 45 -5.650 5.080 12.521 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.997 4.292 9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.785 4.975 9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.378 6.058 10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.044 5.138 12.365 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.047 3.541 11.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.249 3.988 10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.754 5.636 9.983 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.292 6.329 11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.284 3.002 12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.242 2.856 13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.041 6.128 13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.068 4.616 14.364 1.00 0.00 H new ATOM 648 N GLU A 46 -5.025 1.998 9.626 1.00 0.00 N ATOM 649 CA GLU A 46 -4.696 0.580 9.586 1.00 0.00 C ATOM 650 C GLU A 46 -3.875 0.259 8.342 1.00 0.00 C ATOM 651 O GLU A 46 -4.132 0.798 7.267 1.00 0.00 O ATOM 652 CB GLU A 46 -5.975 -0.257 9.607 1.00 0.00 C ATOM 653 CG GLU A 46 -6.799 -0.147 8.333 1.00 0.00 C ATOM 654 CD GLU A 46 -7.915 -1.172 8.270 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.660 -2.299 7.797 1.00 0.00 O ATOM 656 OE2 GLU A 46 -9.044 -0.846 8.694 1.00 0.00 O ATOM 0 H GLU A 46 -5.244 2.404 8.716 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.101 0.335 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.712 -1.302 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.588 0.053 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.226 0.854 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.145 -0.273 7.470 1.00 0.00 H new ATOM 663 N SER A 47 -2.888 -0.616 8.489 1.00 0.00 N ATOM 664 CA SER A 47 -2.041 -0.993 7.375 1.00 0.00 C ATOM 665 C SER A 47 -2.714 -2.048 6.515 1.00 0.00 C ATOM 666 O SER A 47 -3.766 -2.581 6.867 1.00 0.00 O ATOM 667 CB SER A 47 -0.696 -1.513 7.878 1.00 0.00 C ATOM 668 OG SER A 47 0.254 -1.577 6.828 1.00 0.00 O ATOM 0 H SER A 47 -2.658 -1.075 9.370 1.00 0.00 H new ATOM 0 HA SER A 47 -1.873 -0.105 6.766 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.324 -0.862 8.669 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.826 -2.503 8.315 1.00 0.00 H new ATOM 0 HG SER A 47 0.426 -0.674 6.487 1.00 0.00 H new ATOM 674 N VAL A 48 -2.093 -2.339 5.387 1.00 0.00 N ATOM 675 CA VAL A 48 -2.619 -3.333 4.456 1.00 0.00 C ATOM 676 C VAL A 48 -1.551 -4.343 4.053 1.00 0.00 C ATOM 677 O VAL A 48 -1.630 -5.516 4.414 1.00 0.00 O ATOM 678 CB VAL A 48 -3.193 -2.678 3.188 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.111 -3.645 2.456 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.926 -1.388 3.527 1.00 0.00 C ATOM 0 H VAL A 48 -1.221 -1.902 5.088 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.421 -3.851 4.982 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.362 -2.428 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.507 -3.164 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.549 -4.535 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.935 -3.930 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.323 -0.944 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.746 -1.605 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.235 -0.690 3.999 1.00 0.00 H new ATOM 690 N ALA A 49 -0.556 -3.888 3.299 1.00 0.00 N ATOM 691 CA ALA A 49 0.516 -4.768 2.852 1.00 0.00 C ATOM 692 C ALA A 49 1.843 -4.029 2.773 1.00 0.00 C ATOM 693 O ALA A 49 1.948 -2.985 2.133 1.00 0.00 O ATOM 694 CB ALA A 49 0.169 -5.380 1.503 1.00 0.00 C ATOM 0 H ALA A 49 -0.470 -2.921 2.986 1.00 0.00 H new ATOM 0 HA ALA A 49 0.622 -5.567 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.979 -6.035 1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.751 -5.957 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.031 -4.587 0.768 1.00 0.00 H new ATOM 700 N ALA A 50 2.856 -4.579 3.431 1.00 0.00 N ATOM 701 CA ALA A 50 4.178 -3.970 3.438 1.00 0.00 C ATOM 702 C ALA A 50 5.247 -4.957 2.992 1.00 0.00 C ATOM 703 O ALA A 50 5.170 -6.146 3.283 1.00 0.00 O ATOM 704 CB ALA A 50 4.495 -3.430 4.820 1.00 0.00 C ATOM 0 H ALA A 50 2.786 -5.445 3.966 1.00 0.00 H new ATOM 0 HA ALA A 50 4.174 -3.144 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.486 -2.976 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.754 -2.680 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.473 -4.245 5.543 1.00 0.00 H new ATOM 710 N ILE A 51 6.248 -4.450 2.286 1.00 0.00 N ATOM 711 CA ILE A 51 7.338 -5.285 1.798 1.00 0.00 C ATOM 712 C ILE A 51 8.687 -4.741 2.249 1.00 0.00 C ATOM 713 O ILE A 51 8.862 -3.528 2.398 1.00 0.00 O ATOM 714 CB ILE A 51 7.325 -5.388 0.259 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.318 -6.453 -0.212 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.645 -4.040 -0.372 1.00 0.00 C ATOM 717 CD1 ILE A 51 8.430 -6.555 -1.719 1.00 0.00 C ATOM 0 H ILE A 51 6.328 -3.464 2.038 1.00 0.00 H new ATOM 0 HA ILE A 51 7.189 -6.279 2.220 1.00 0.00 H new ATOM 0 HB ILE A 51 6.325 -5.683 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.301 -6.230 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.016 -7.421 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.631 -4.134 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.900 -3.307 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.633 -3.712 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.151 -7.330 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.457 -6.809 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.762 -5.599 -2.125 1.00 0.00 H new ATOM 729 N ASN A 52 9.639 -5.643 2.459 1.00 0.00 N ATOM 730 CA ASN A 52 10.975 -5.249 2.887 1.00 0.00 C ATOM 731 C ASN A 52 11.935 -5.218 1.708 1.00 0.00 C ATOM 732 O ASN A 52 11.627 -5.710 0.622 1.00 0.00 O ATOM 733 CB ASN A 52 11.497 -6.200 3.967 1.00 0.00 C ATOM 734 CG ASN A 52 12.916 -5.893 4.407 1.00 0.00 C ATOM 735 OD1 ASN A 52 13.890 -6.463 3.706 1.00 0.00 O flip ATOM 736 ND2 ASN A 52 13.135 -5.152 5.365 1.00 0.00 N flip ATOM 0 H ASN A 52 9.511 -6.648 2.340 1.00 0.00 H new ATOM 0 HA ASN A 52 10.911 -4.245 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.837 -6.151 4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.454 -7.222 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.357 -4.735 5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.095 -4.955 5.648 1.00 0.00 H new ATOM 743 N TRP A 53 13.097 -4.635 1.939 1.00 0.00 N ATOM 744 CA TRP A 53 14.121 -4.528 0.912 1.00 0.00 C ATOM 745 C TRP A 53 15.068 -5.723 0.967 1.00 0.00 C ATOM 746 O TRP A 53 16.177 -5.626 1.491 1.00 0.00 O ATOM 747 CB TRP A 53 14.901 -3.226 1.083 1.00 0.00 C ATOM 748 CG TRP A 53 15.260 -2.577 -0.216 1.00 0.00 C ATOM 749 CD1 TRP A 53 16.481 -2.583 -0.818 1.00 0.00 C ATOM 750 CD2 TRP A 53 14.391 -1.828 -1.072 1.00 0.00 C ATOM 751 NE1 TRP A 53 16.429 -1.883 -1.999 1.00 0.00 N ATOM 752 CE2 TRP A 53 15.155 -1.409 -2.178 1.00 0.00 C ATOM 753 CE3 TRP A 53 13.041 -1.471 -1.012 1.00 0.00 C ATOM 754 CZ2 TRP A 53 14.613 -0.651 -3.214 1.00 0.00 C ATOM 755 CZ3 TRP A 53 12.504 -0.719 -2.041 1.00 0.00 C ATOM 756 CH2 TRP A 53 13.289 -0.317 -3.129 1.00 0.00 C ATOM 0 H TRP A 53 13.358 -4.225 2.836 1.00 0.00 H new ATOM 0 HA TRP A 53 13.633 -4.523 -0.063 1.00 0.00 H new ATOM 0 HB2 TRP A 53 14.308 -2.531 1.677 1.00 0.00 H new ATOM 0 HB3 TRP A 53 15.813 -3.428 1.645 1.00 0.00 H new ATOM 0 HD1 TRP A 53 17.362 -3.068 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 53 17.211 -1.739 -2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 53 12.428 -1.777 -0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 15.216 -0.339 -4.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 11.462 -0.437 -2.005 1.00 0.00 H new ATOM 0 HH2 TRP A 53 12.840 0.269 -3.917 1.00 0.00 H new ATOM 767 N ASP A 54 14.618 -6.850 0.422 1.00 0.00 N ATOM 768 CA ASP A 54 15.416 -8.071 0.405 1.00 0.00 C ATOM 769 C ASP A 54 15.684 -8.574 1.821 1.00 0.00 C ATOM 770 O ASP A 54 16.654 -8.170 2.462 1.00 0.00 O ATOM 771 CB ASP A 54 16.740 -7.834 -0.327 1.00 0.00 C ATOM 772 CG ASP A 54 16.568 -7.799 -1.833 1.00 0.00 C ATOM 773 OD1 ASP A 54 15.831 -6.920 -2.327 1.00 0.00 O ATOM 774 OD2 ASP A 54 17.170 -8.651 -2.520 1.00 0.00 O ATOM 0 H ASP A 54 13.701 -6.942 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 54 14.848 -8.834 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.174 -6.892 0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.445 -8.622 -0.062 1.00 0.00 H new ATOM 779 N SER A 55 14.819 -9.464 2.299 1.00 0.00 N ATOM 780 CA SER A 55 14.959 -10.032 3.636 1.00 0.00 C ATOM 781 C SER A 55 14.100 -11.284 3.783 1.00 0.00 C ATOM 782 O SER A 55 14.611 -12.404 3.772 1.00 0.00 O ATOM 783 CB SER A 55 14.570 -9.004 4.699 1.00 0.00 C ATOM 784 OG SER A 55 14.627 -9.566 5.999 1.00 0.00 O ATOM 0 H SER A 55 14.012 -9.808 1.779 1.00 0.00 H new ATOM 0 HA SER A 55 16.004 -10.307 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.239 -8.146 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.563 -8.637 4.502 1.00 0.00 H new ATOM 0 HG SER A 55 14.375 -8.888 6.660 1.00 0.00 H new ATOM 790 N ALA A 56 12.790 -11.087 3.911 1.00 0.00 N ATOM 791 CA ALA A 56 11.862 -12.197 4.048 1.00 0.00 C ATOM 792 C ALA A 56 10.901 -12.235 2.868 1.00 0.00 C ATOM 793 O ALA A 56 11.055 -13.048 1.958 1.00 0.00 O ATOM 794 CB ALA A 56 11.095 -12.088 5.358 1.00 0.00 C ATOM 0 H ALA A 56 12.351 -10.166 3.922 1.00 0.00 H new ATOM 0 HA ALA A 56 12.432 -13.126 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.404 -12.926 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.796 -12.106 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.535 -11.153 5.375 1.00 0.00 H new ATOM 800 N ARG A 57 9.922 -11.337 2.885 1.00 0.00 N ATOM 801 CA ARG A 57 8.937 -11.249 1.811 1.00 0.00 C ATOM 802 C ARG A 57 8.066 -9.995 1.980 1.00 0.00 C ATOM 803 O ARG A 57 8.509 -8.885 1.679 1.00 0.00 O ATOM 804 CB ARG A 57 8.070 -12.520 1.761 1.00 0.00 C ATOM 805 CG ARG A 57 8.541 -13.564 0.756 1.00 0.00 C ATOM 806 CD ARG A 57 8.803 -12.956 -0.614 1.00 0.00 C ATOM 807 NE ARG A 57 7.764 -12.002 -0.998 1.00 0.00 N ATOM 808 CZ ARG A 57 7.910 -11.094 -1.960 1.00 0.00 C ATOM 809 NH1 ARG A 57 9.048 -11.013 -2.638 1.00 0.00 N ATOM 810 NH2 ARG A 57 6.914 -10.265 -2.244 1.00 0.00 N ATOM 0 H ARG A 57 9.789 -10.657 3.633 1.00 0.00 H new ATOM 0 HA ARG A 57 9.468 -11.168 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.051 -12.971 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.045 -12.237 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.452 -14.037 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.789 -14.348 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.771 -12.455 -0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.859 -13.750 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 57 6.875 -12.034 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.816 -11.649 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.154 -10.315 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.038 -10.324 -1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.025 -9.569 -2.981 1.00 0.00 H new ATOM 824 N THR A 58 6.831 -10.168 2.460 1.00 0.00 N ATOM 825 CA THR A 58 5.924 -9.047 2.653 1.00 0.00 C ATOM 826 C THR A 58 5.180 -9.167 3.979 1.00 0.00 C ATOM 827 O THR A 58 5.443 -10.068 4.776 1.00 0.00 O ATOM 828 CB THR A 58 4.924 -8.979 1.500 1.00 0.00 C ATOM 829 OG1 THR A 58 5.389 -9.721 0.387 1.00 0.00 O ATOM 830 CG2 THR A 58 4.646 -7.569 1.027 1.00 0.00 C ATOM 0 H THR A 58 6.442 -11.075 2.720 1.00 0.00 H new ATOM 0 HA THR A 58 6.515 -8.131 2.673 1.00 0.00 H new ATOM 0 HB THR A 58 4.000 -9.399 1.897 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.734 -9.666 -0.340 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.928 -7.595 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.236 -6.983 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.573 -7.111 0.683 1.00 0.00 H new ATOM 838 N TYR A 59 4.253 -8.246 4.204 1.00 0.00 N ATOM 839 CA TYR A 59 3.462 -8.225 5.426 1.00 0.00 C ATOM 840 C TYR A 59 2.010 -7.870 5.118 1.00 0.00 C ATOM 841 O TYR A 59 1.648 -6.695 5.070 1.00 0.00 O ATOM 842 CB TYR A 59 4.052 -7.212 6.407 1.00 0.00 C ATOM 843 CG TYR A 59 3.192 -6.968 7.628 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.229 -7.834 8.714 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.340 -5.873 7.692 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.441 -7.614 9.828 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.550 -5.646 8.802 1.00 0.00 C ATOM 848 CZ TYR A 59 1.604 -6.519 9.867 1.00 0.00 C ATOM 849 OH TYR A 59 0.818 -6.297 10.974 1.00 0.00 O ATOM 0 H TYR A 59 4.029 -7.497 3.549 1.00 0.00 H new ATOM 0 HA TYR A 59 3.487 -9.217 5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.033 -7.562 6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.206 -6.266 5.888 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.884 -8.692 8.687 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.294 -5.187 6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.481 -8.297 10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.894 -4.789 8.835 1.00 0.00 H new ATOM 0 HH TYR A 59 0.288 -5.483 10.841 1.00 0.00 H new ATOM 859 N TYR A 60 1.186 -8.892 4.906 1.00 0.00 N ATOM 860 CA TYR A 60 -0.222 -8.689 4.599 1.00 0.00 C ATOM 861 C TYR A 60 -1.001 -8.286 5.847 1.00 0.00 C ATOM 862 O TYR A 60 -0.548 -8.499 6.971 1.00 0.00 O ATOM 863 CB TYR A 60 -0.816 -9.967 4.007 1.00 0.00 C ATOM 864 CG TYR A 60 -0.408 -10.225 2.573 1.00 0.00 C ATOM 865 CD1 TYR A 60 0.928 -10.183 2.191 1.00 0.00 C ATOM 866 CD2 TYR A 60 -1.359 -10.513 1.603 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.303 -10.420 0.882 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.991 -10.752 0.292 1.00 0.00 C ATOM 869 CZ TYR A 60 0.340 -10.704 -0.063 1.00 0.00 C ATOM 870 OH TYR A 60 0.710 -10.941 -1.367 1.00 0.00 O ATOM 0 H TYR A 60 1.472 -9.870 4.942 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.299 -7.882 3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.511 -10.815 4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.903 -9.910 4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.685 -9.962 2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.403 -10.551 1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.345 -10.383 0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.743 -10.975 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.088 -11.127 -1.905 1.00 0.00 H new ATOM 880 N ALA A 61 -2.178 -7.702 5.640 1.00 0.00 N ATOM 881 CA ALA A 61 -3.022 -7.270 6.746 1.00 0.00 C ATOM 882 C ALA A 61 -4.255 -8.158 6.875 1.00 0.00 C ATOM 883 O ALA A 61 -4.655 -8.828 5.921 1.00 0.00 O ATOM 884 CB ALA A 61 -3.433 -5.817 6.559 1.00 0.00 C ATOM 0 H ALA A 61 -2.568 -7.518 4.716 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.445 -7.358 7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.063 -5.507 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.543 -5.189 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.988 -5.713 5.626 1.00 0.00 H new ATOM 890 N SER A 62 -4.856 -8.160 8.059 1.00 0.00 N ATOM 891 CA SER A 62 -6.040 -8.968 8.307 1.00 0.00 C ATOM 892 C SER A 62 -7.234 -8.424 7.536 1.00 0.00 C ATOM 893 O SER A 62 -7.315 -7.227 7.261 1.00 0.00 O ATOM 894 CB SER A 62 -6.356 -9.009 9.803 1.00 0.00 C ATOM 895 OG SER A 62 -7.560 -9.714 10.052 1.00 0.00 O ATOM 0 H SER A 62 -4.542 -7.612 8.860 1.00 0.00 H new ATOM 0 HA SER A 62 -5.837 -9.982 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.535 -9.486 10.338 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.440 -7.993 10.188 1.00 0.00 H new ATOM 0 HG SER A 62 -7.738 -9.727 11.016 1.00 0.00 H new ATOM 901 N SER A 63 -8.148 -9.324 7.173 1.00 0.00 N ATOM 902 CA SER A 63 -9.344 -8.967 6.410 1.00 0.00 C ATOM 903 C SER A 63 -9.057 -9.001 4.911 1.00 0.00 C ATOM 904 O SER A 63 -9.978 -8.971 4.094 1.00 0.00 O ATOM 905 CB SER A 63 -9.873 -7.586 6.813 1.00 0.00 C ATOM 906 OG SER A 63 -9.756 -7.383 8.211 1.00 0.00 O ATOM 0 H SER A 63 -8.081 -10.317 7.398 1.00 0.00 H new ATOM 0 HA SER A 63 -10.112 -9.705 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.319 -6.812 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.917 -7.492 6.515 1.00 0.00 H new ATOM 0 HG SER A 63 -8.936 -6.881 8.401 1.00 0.00 H new ATOM 912 N VAL A 64 -7.775 -9.070 4.553 1.00 0.00 N ATOM 913 CA VAL A 64 -7.378 -9.115 3.151 1.00 0.00 C ATOM 914 C VAL A 64 -6.054 -9.859 2.965 1.00 0.00 C ATOM 915 O VAL A 64 -5.433 -9.774 1.906 1.00 0.00 O ATOM 916 CB VAL A 64 -7.251 -7.698 2.555 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.536 -6.912 2.767 1.00 0.00 C ATOM 918 CG2 VAL A 64 -6.063 -6.962 3.159 1.00 0.00 C ATOM 0 H VAL A 64 -6.998 -9.096 5.214 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.164 -9.654 2.623 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.080 -7.793 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.427 -5.915 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.363 -7.428 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.740 -6.829 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.993 -5.965 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.197 -6.879 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.147 -7.515 2.949 1.00 0.00 H new ATOM 928 N ARG A 65 -5.623 -10.585 3.995 1.00 0.00 N ATOM 929 CA ARG A 65 -4.387 -11.330 3.937 1.00 0.00 C ATOM 930 C ARG A 65 -4.578 -12.614 3.152 1.00 0.00 C ATOM 931 O ARG A 65 -4.763 -13.693 3.715 1.00 0.00 O ATOM 932 CB ARG A 65 -3.894 -11.622 5.350 1.00 0.00 C ATOM 933 CG ARG A 65 -2.837 -12.707 5.423 1.00 0.00 C ATOM 934 CD ARG A 65 -1.681 -12.307 6.325 1.00 0.00 C ATOM 935 NE ARG A 65 -0.428 -12.941 5.923 1.00 0.00 N ATOM 936 CZ ARG A 65 0.774 -12.511 6.299 1.00 0.00 C ATOM 937 NH1 ARG A 65 0.890 -11.447 7.085 1.00 0.00 N ATOM 938 NH2 ARG A 65 1.864 -13.145 5.889 1.00 0.00 N ATOM 0 H ARG A 65 -6.122 -10.667 4.881 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.634 -10.733 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.489 -10.705 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.744 -11.915 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.286 -13.628 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.461 -12.917 4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.562 -11.224 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.912 -12.582 7.354 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.477 -13.761 5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.055 -10.955 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.814 -11.122 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.782 -13.963 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.785 -12.815 6.178 1.00 0.00 H new ATOM 952 N GLY A 66 -4.533 -12.469 1.846 1.00 0.00 N ATOM 953 CA GLY A 66 -4.702 -13.594 0.955 1.00 0.00 C ATOM 954 C GLY A 66 -5.500 -13.236 -0.284 1.00 0.00 C ATOM 955 O GLY A 66 -5.657 -14.058 -1.187 1.00 0.00 O ATOM 0 H GLY A 66 -4.380 -11.577 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.723 -13.968 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.204 -14.402 1.486 1.00 0.00 H new ATOM 959 N ARG A 67 -6.009 -12.005 -0.331 1.00 0.00 N ATOM 960 CA ARG A 67 -6.795 -11.552 -1.473 1.00 0.00 C ATOM 961 C ARG A 67 -6.114 -10.386 -2.184 1.00 0.00 C ATOM 962 O ARG A 67 -6.165 -10.281 -3.409 1.00 0.00 O ATOM 963 CB ARG A 67 -8.199 -11.142 -1.025 1.00 0.00 C ATOM 964 CG ARG A 67 -8.211 -10.265 0.216 1.00 0.00 C ATOM 965 CD ARG A 67 -9.482 -9.434 0.301 1.00 0.00 C ATOM 966 NE ARG A 67 -10.314 -9.821 1.439 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.117 -10.882 1.444 1.00 0.00 C ATOM 968 NH1 ARG A 67 -11.201 -11.665 0.376 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.837 -11.162 2.522 1.00 0.00 N ATOM 0 H ARG A 67 -5.891 -11.309 0.405 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.873 -12.382 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.690 -10.610 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.786 -12.040 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.124 -10.890 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.344 -9.605 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.221 -8.379 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.052 -9.549 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.277 -9.244 2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.648 -11.455 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.818 -12.477 0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.775 -10.564 3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.453 -11.975 2.527 1.00 0.00 H new ATOM 983 N PHE A 68 -5.478 -9.510 -1.412 1.00 0.00 N ATOM 984 CA PHE A 68 -4.791 -8.353 -1.977 1.00 0.00 C ATOM 985 C PHE A 68 -3.396 -8.733 -2.466 1.00 0.00 C ATOM 986 O PHE A 68 -2.663 -9.451 -1.786 1.00 0.00 O ATOM 987 CB PHE A 68 -4.700 -7.233 -0.937 1.00 0.00 C ATOM 988 CG PHE A 68 -5.990 -6.479 -0.734 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.201 -7.002 -1.167 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.987 -5.244 -0.107 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.381 -6.307 -0.977 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.163 -4.544 0.085 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.362 -5.076 -0.351 1.00 0.00 C ATOM 0 H PHE A 68 -5.424 -9.579 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.367 -7.998 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.387 -7.660 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.924 -6.530 -1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.222 -7.964 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.054 -4.823 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.316 -6.726 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.145 -3.582 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.282 -4.530 -0.202 1.00 0.00 H new ATOM 1003 N THR A 69 -3.036 -8.252 -3.654 1.00 0.00 N ATOM 1004 CA THR A 69 -1.731 -8.548 -4.237 1.00 0.00 C ATOM 1005 C THR A 69 -0.757 -7.396 -4.028 1.00 0.00 C ATOM 1006 O THR A 69 -1.142 -6.227 -4.032 1.00 0.00 O ATOM 1007 CB THR A 69 -1.872 -8.848 -5.729 1.00 0.00 C ATOM 1008 OG1 THR A 69 -3.013 -9.651 -5.974 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.672 -9.565 -6.312 1.00 0.00 C ATOM 0 H THR A 69 -3.630 -7.656 -4.231 1.00 0.00 H new ATOM 0 HA THR A 69 -1.332 -9.427 -3.731 1.00 0.00 H new ATOM 0 HB THR A 69 -1.963 -7.875 -6.211 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.087 -9.830 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.838 -9.747 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.218 -8.948 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.531 -10.516 -5.798 1.00 0.00 H new ATOM 1017 N ILE A 70 0.507 -7.754 -3.838 1.00 0.00 N ATOM 1018 CA ILE A 70 1.573 -6.789 -3.611 1.00 0.00 C ATOM 1019 C ILE A 70 2.779 -7.121 -4.481 1.00 0.00 C ATOM 1020 O ILE A 70 3.172 -8.283 -4.591 1.00 0.00 O ATOM 1021 CB ILE A 70 1.967 -6.788 -2.123 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.008 -5.710 -1.818 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.459 -8.165 -1.706 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.355 -5.963 -2.446 1.00 0.00 C ATOM 0 H ILE A 70 0.821 -8.724 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 70 1.217 -5.795 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 70 1.079 -6.549 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.632 -4.748 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.131 -5.633 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.734 -8.149 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.667 -8.897 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.329 -8.437 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.037 -5.154 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.755 -6.909 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.248 -6.009 -3.530 1.00 0.00 H new ATOM 1036 N SER A 71 3.364 -6.101 -5.102 1.00 0.00 N ATOM 1037 CA SER A 71 4.523 -6.308 -5.962 1.00 0.00 C ATOM 1038 C SER A 71 5.214 -4.990 -6.286 1.00 0.00 C ATOM 1039 O SER A 71 4.569 -3.950 -6.405 1.00 0.00 O ATOM 1040 CB SER A 71 4.101 -7.005 -7.257 1.00 0.00 C ATOM 1041 OG SER A 71 5.173 -7.055 -8.183 1.00 0.00 O ATOM 0 H SER A 71 3.057 -5.131 -5.027 1.00 0.00 H new ATOM 0 HA SER A 71 5.230 -6.940 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.761 -8.016 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.258 -6.475 -7.700 1.00 0.00 H new ATOM 0 HG SER A 71 4.878 -7.507 -9.001 1.00 0.00 H new ATOM 1047 N ARG A 72 6.533 -5.046 -6.430 1.00 0.00 N ATOM 1048 CA ARG A 72 7.320 -3.860 -6.744 1.00 0.00 C ATOM 1049 C ARG A 72 7.961 -3.989 -8.121 1.00 0.00 C ATOM 1050 O ARG A 72 8.358 -5.080 -8.531 1.00 0.00 O ATOM 1051 CB ARG A 72 8.397 -3.646 -5.680 1.00 0.00 C ATOM 1052 CG ARG A 72 7.947 -2.759 -4.530 1.00 0.00 C ATOM 1053 CD ARG A 72 6.669 -3.279 -3.889 1.00 0.00 C ATOM 1054 NE ARG A 72 6.429 -2.674 -2.581 1.00 0.00 N ATOM 1055 CZ ARG A 72 5.227 -2.574 -2.015 1.00 0.00 C ATOM 1056 NH1 ARG A 72 4.151 -3.038 -2.636 1.00 0.00 N ATOM 1057 NH2 ARG A 72 5.099 -1.998 -0.828 1.00 0.00 N ATOM 0 H ARG A 72 7.080 -5.901 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 72 6.654 -2.997 -6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.702 -4.614 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.276 -3.202 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.736 -2.707 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.786 -1.744 -4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.824 -3.072 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.731 -4.362 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 72 7.231 -2.306 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.240 -3.475 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.234 -2.958 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.921 -1.631 -0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.179 -1.921 -0.395 1.00 0.00 H new ATOM 1071 N ASP A 73 8.058 -2.872 -8.833 1.00 0.00 N ATOM 1072 CA ASP A 73 8.650 -2.869 -10.166 1.00 0.00 C ATOM 1073 C ASP A 73 10.130 -3.234 -10.105 1.00 0.00 C ATOM 1074 O ASP A 73 10.677 -3.811 -11.045 1.00 0.00 O ATOM 1075 CB ASP A 73 8.475 -1.500 -10.824 1.00 0.00 C ATOM 1076 CG ASP A 73 9.055 -1.450 -12.225 1.00 0.00 C ATOM 1077 OD1 ASP A 73 9.284 -2.528 -12.812 1.00 0.00 O ATOM 1078 OD2 ASP A 73 9.281 -0.332 -12.734 1.00 0.00 O ATOM 0 H ASP A 73 7.736 -1.959 -8.511 1.00 0.00 H new ATOM 0 HA ASP A 73 8.134 -3.619 -10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.414 -1.253 -10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.956 -0.740 -10.208 1.00 0.00 H new ATOM 1083 N ASN A 74 10.774 -2.892 -8.993 1.00 0.00 N ATOM 1084 CA ASN A 74 12.192 -3.183 -8.810 1.00 0.00 C ATOM 1085 C ASN A 74 13.026 -2.559 -9.925 1.00 0.00 C ATOM 1086 O ASN A 74 14.123 -3.028 -10.230 1.00 0.00 O ATOM 1087 CB ASN A 74 12.424 -4.694 -8.768 1.00 0.00 C ATOM 1088 CG ASN A 74 13.800 -5.052 -8.242 1.00 0.00 C ATOM 1089 OD1 ASN A 74 14.552 -5.785 -8.885 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.136 -4.536 -7.065 1.00 0.00 N ATOM 0 H ASN A 74 10.337 -2.413 -8.206 1.00 0.00 H new ATOM 0 HA ASN A 74 12.505 -2.748 -7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.665 -5.158 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.302 -5.106 -9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.049 -4.743 -6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.481 -3.933 -6.567 1.00 0.00 H new ATOM 1097 N ALA A 75 12.499 -1.500 -10.530 1.00 0.00 N ATOM 1098 CA ALA A 75 13.193 -0.811 -11.608 1.00 0.00 C ATOM 1099 C ALA A 75 13.177 0.697 -11.389 1.00 0.00 C ATOM 1100 O ALA A 75 14.203 1.365 -11.522 1.00 0.00 O ATOM 1101 CB ALA A 75 12.563 -1.160 -12.949 1.00 0.00 C ATOM 0 H ALA A 75 11.592 -1.101 -10.290 1.00 0.00 H new ATOM 0 HA ALA A 75 14.232 -1.142 -11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.092 -0.638 -13.746 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.629 -2.236 -13.113 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.516 -0.857 -12.949 1.00 0.00 H new ATOM 1107 N LYS A 76 12.007 1.226 -11.047 1.00 0.00 N ATOM 1108 CA LYS A 76 11.855 2.655 -10.804 1.00 0.00 C ATOM 1109 C LYS A 76 11.520 2.929 -9.339 1.00 0.00 C ATOM 1110 O LYS A 76 11.010 3.997 -9.001 1.00 0.00 O ATOM 1111 CB LYS A 76 10.762 3.233 -11.704 1.00 0.00 C ATOM 1112 CG LYS A 76 11.271 3.694 -13.061 1.00 0.00 C ATOM 1113 CD LYS A 76 11.063 5.187 -13.259 1.00 0.00 C ATOM 1114 CE LYS A 76 12.031 5.754 -14.286 1.00 0.00 C ATOM 1115 NZ LYS A 76 11.339 6.616 -15.284 1.00 0.00 N ATOM 0 H LYS A 76 11.150 0.686 -10.932 1.00 0.00 H new ATOM 0 HA LYS A 76 12.804 3.139 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.989 2.479 -11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.293 4.075 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.331 3.459 -13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.754 3.146 -13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.039 5.373 -13.582 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.196 5.703 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.801 6.334 -13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.535 4.936 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.033 6.983 -15.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.621 6.057 -15.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.879 7.411 -14.796 1.00 0.00 H new ATOM 1129 N LYS A 77 11.808 1.960 -8.473 1.00 0.00 N ATOM 1130 CA LYS A 77 11.534 2.103 -7.047 1.00 0.00 C ATOM 1131 C LYS A 77 10.060 2.415 -6.807 1.00 0.00 C ATOM 1132 O LYS A 77 9.721 3.323 -6.046 1.00 0.00 O ATOM 1133 CB LYS A 77 12.407 3.207 -6.447 1.00 0.00 C ATOM 1134 CG LYS A 77 13.845 3.183 -6.940 1.00 0.00 C ATOM 1135 CD LYS A 77 14.635 2.055 -6.297 1.00 0.00 C ATOM 1136 CE LYS A 77 15.972 1.847 -6.990 1.00 0.00 C ATOM 1137 NZ LYS A 77 17.007 2.800 -6.500 1.00 0.00 N ATOM 0 H LYS A 77 12.230 1.069 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 77 11.771 1.158 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.967 4.176 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.403 3.112 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.857 3.066 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.323 4.137 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.801 2.280 -5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.055 1.133 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.312 0.825 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.846 1.970 -8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.939 2.520 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.779 3.760 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.027 2.787 -5.460 1.00 0.00 H new ATOM 1151 N THR A 78 9.186 1.660 -7.465 1.00 0.00 N ATOM 1152 CA THR A 78 7.748 1.861 -7.327 1.00 0.00 C ATOM 1153 C THR A 78 7.060 0.604 -6.801 1.00 0.00 C ATOM 1154 O THR A 78 7.429 -0.517 -7.154 1.00 0.00 O ATOM 1155 CB THR A 78 7.134 2.259 -8.669 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.794 3.391 -9.208 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.659 2.586 -8.579 1.00 0.00 C ATOM 0 H THR A 78 9.448 0.904 -8.098 1.00 0.00 H new ATOM 0 HA THR A 78 7.595 2.665 -6.607 1.00 0.00 H new ATOM 0 HB THR A 78 7.258 1.388 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.387 3.628 -10.067 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.286 2.860 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.115 1.715 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.512 3.419 -7.891 1.00 0.00 H new ATOM 1165 N VAL A 79 6.049 0.808 -5.963 1.00 0.00 N ATOM 1166 CA VAL A 79 5.287 -0.291 -5.386 1.00 0.00 C ATOM 1167 C VAL A 79 3.954 -0.452 -6.107 1.00 0.00 C ATOM 1168 O VAL A 79 3.405 0.522 -6.623 1.00 0.00 O ATOM 1169 CB VAL A 79 5.023 -0.065 -3.886 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.332 0.078 -3.126 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.139 1.154 -3.667 1.00 0.00 C ATOM 0 H VAL A 79 5.737 1.733 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 79 5.882 -1.196 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 79 4.496 -0.938 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.123 0.237 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.924 -0.829 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.889 0.929 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.967 1.292 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.631 2.038 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.184 1.007 -4.172 1.00 0.00 H new ATOM 1181 N TYR A 80 3.433 -1.677 -6.145 1.00 0.00 N ATOM 1182 CA TYR A 80 2.165 -1.936 -6.813 1.00 0.00 C ATOM 1183 C TYR A 80 1.382 -3.022 -6.088 1.00 0.00 C ATOM 1184 O TYR A 80 1.880 -4.130 -5.891 1.00 0.00 O ATOM 1185 CB TYR A 80 2.402 -2.351 -8.265 1.00 0.00 C ATOM 1186 CG TYR A 80 3.235 -1.374 -9.050 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.610 -1.310 -8.874 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.648 -0.523 -9.974 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.376 -0.421 -9.596 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.407 0.367 -10.702 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.769 0.413 -10.509 1.00 0.00 C ATOM 1192 OH TYR A 80 5.532 1.300 -11.233 1.00 0.00 O ATOM 0 H TYR A 80 3.867 -2.498 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 80 1.582 -1.015 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.892 -3.325 -8.279 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.438 -2.472 -8.760 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.086 -1.966 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.579 -0.558 -10.125 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.445 -0.378 -9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.937 1.024 -11.419 1.00 0.00 H new ATOM 0 HH TYR A 80 4.997 2.093 -11.446 1.00 0.00 H new ATOM 1202 N LEU A 81 0.153 -2.704 -5.700 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.690 -3.665 -5.006 1.00 0.00 C ATOM 1204 C LEU A 81 -2.020 -3.835 -5.733 1.00 0.00 C ATOM 1205 O LEU A 81 -2.765 -2.872 -5.931 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.901 -3.246 -3.541 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.237 -2.570 -3.210 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.467 -2.555 -1.707 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.270 -1.157 -3.767 1.00 0.00 C ATOM 0 H LEU A 81 -0.279 -1.793 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.185 -4.631 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.803 -4.133 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.096 -2.567 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.039 -3.143 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.419 -2.072 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.485 -3.578 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.661 -2.004 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.225 -0.692 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.460 -0.574 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.149 -1.190 -4.850 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.299 -5.068 -6.135 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.523 -5.391 -6.846 1.00 0.00 C ATOM 1223 C GLN A 82 -4.554 -5.995 -5.901 1.00 0.00 C ATOM 1224 O GLN A 82 -4.542 -7.198 -5.641 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.210 -6.367 -7.970 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.079 -6.183 -9.203 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.671 -7.092 -10.345 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -2.775 -6.767 -11.124 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.331 -8.240 -10.451 1.00 0.00 N ATOM 0 H GLN A 82 -1.685 -5.867 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.941 -4.475 -7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.164 -6.255 -8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.333 -7.385 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.119 -6.378 -8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.022 -5.145 -9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.067 -8.469 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.102 -8.893 -11.201 1.00 0.00 H new ATOM 1238 N MET A 83 -5.439 -5.153 -5.382 1.00 0.00 N ATOM 1239 CA MET A 83 -6.469 -5.605 -4.459 1.00 0.00 C ATOM 1240 C MET A 83 -7.630 -6.253 -5.206 1.00 0.00 C ATOM 1241 O MET A 83 -8.541 -5.567 -5.673 1.00 0.00 O ATOM 1242 CB MET A 83 -6.972 -4.431 -3.619 1.00 0.00 C ATOM 1243 CG MET A 83 -5.857 -3.543 -3.098 1.00 0.00 C ATOM 1244 SD MET A 83 -6.166 -1.790 -3.382 1.00 0.00 S ATOM 1245 CE MET A 83 -6.218 -1.751 -5.171 1.00 0.00 C ATOM 0 H MET A 83 -5.463 -4.154 -5.585 1.00 0.00 H new ATOM 0 HA MET A 83 -6.031 -6.355 -3.800 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.655 -3.830 -4.220 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.544 -4.816 -2.775 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.731 -3.716 -2.029 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.920 -3.824 -3.579 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.541 -0.765 -5.504 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.225 -1.961 -5.569 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.919 -2.504 -5.531 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.589 -7.578 -5.315 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.631 -8.323 -5.999 1.00 0.00 C ATOM 1257 C ASN A 84 -9.745 -8.699 -5.031 1.00 0.00 C ATOM 1258 O ASN A 84 -9.655 -8.426 -3.833 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.060 -9.588 -6.648 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.542 -9.606 -6.707 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.982 -8.961 -7.723 1.00 0.00 O flip ATOM 1262 ND2 ASN A 84 -5.883 -10.193 -5.850 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.840 -8.156 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.041 -7.683 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.404 -10.460 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.456 -9.679 -7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.355 -10.676 -5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.864 -10.196 -5.904 1.00 0.00 H new ATOM 1269 N SER A 85 -10.791 -9.332 -5.560 1.00 0.00 N ATOM 1270 CA SER A 85 -11.935 -9.760 -4.753 1.00 0.00 C ATOM 1271 C SER A 85 -12.250 -8.753 -3.647 1.00 0.00 C ATOM 1272 O SER A 85 -12.533 -9.132 -2.510 1.00 0.00 O ATOM 1273 CB SER A 85 -11.659 -11.135 -4.147 1.00 0.00 C ATOM 1274 OG SER A 85 -12.862 -11.859 -3.951 1.00 0.00 O ATOM 0 H SER A 85 -10.871 -9.561 -6.551 1.00 0.00 H new ATOM 0 HA SER A 85 -12.805 -9.819 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.995 -11.698 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.142 -11.019 -3.194 1.00 0.00 H new ATOM 0 HG SER A 85 -12.657 -12.736 -3.564 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.190 -7.469 -3.989 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.460 -6.402 -3.031 1.00 0.00 C ATOM 1282 C LEU A 86 -13.729 -6.680 -2.232 1.00 0.00 C ATOM 1283 O LEU A 86 -14.520 -7.555 -2.583 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.577 -5.057 -3.753 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.690 -3.943 -3.192 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.437 -3.781 -4.038 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.459 -2.632 -3.119 1.00 0.00 C ATOM 0 H LEU A 86 -11.956 -7.142 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.624 -6.362 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.330 -5.203 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.616 -4.729 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.389 -4.220 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.819 -2.985 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.874 -4.715 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.718 -3.528 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.812 -1.852 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.792 -2.349 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.326 -2.754 -2.469 1.00 0.00 H new ATOM 1299 N LYS A 87 -13.907 -5.929 -1.154 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.072 -6.086 -0.291 1.00 0.00 C ATOM 1301 C LYS A 87 -15.792 -4.752 -0.108 1.00 0.00 C ATOM 1302 O LYS A 87 -15.222 -3.693 -0.370 1.00 0.00 O ATOM 1303 CB LYS A 87 -14.642 -6.645 1.068 1.00 0.00 C ATOM 1304 CG LYS A 87 -13.901 -7.970 0.975 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.683 -8.993 0.166 1.00 0.00 C ATOM 1306 CE LYS A 87 -14.574 -10.385 0.769 1.00 0.00 C ATOM 1307 NZ LYS A 87 -15.862 -10.834 1.366 1.00 0.00 N ATOM 0 H LYS A 87 -13.257 -5.202 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.762 -6.785 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.003 -5.915 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.525 -6.775 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.926 -7.811 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.721 -8.358 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.731 -8.697 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.311 -9.009 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.265 -11.091 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.798 -10.389 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.746 -11.787 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.144 -10.174 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.597 -10.855 0.631 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.060 -4.782 0.343 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.849 -3.563 0.553 1.00 0.00 C ATOM 1323 C PRO A 88 -17.420 -2.777 1.791 1.00 0.00 C ATOM 1324 O PRO A 88 -18.078 -1.812 2.179 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.272 -4.093 0.725 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.099 -5.466 1.275 1.00 0.00 C ATOM 1327 CD PRO A 88 -17.827 -6.000 0.674 1.00 0.00 C ATOM 0 HA PRO A 88 -17.730 -2.861 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.850 -3.465 1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.806 -4.111 -0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.037 -5.445 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.948 -6.099 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.287 -6.635 1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.025 -6.602 -0.213 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.317 -3.189 2.404 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.806 -2.516 3.593 1.00 0.00 C ATOM 1337 C GLU A 89 -14.401 -1.963 3.356 1.00 0.00 C ATOM 1338 O GLU A 89 -13.741 -1.509 4.291 1.00 0.00 O ATOM 1339 CB GLU A 89 -15.792 -3.478 4.781 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.167 -4.015 5.146 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.369 -4.128 6.645 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -16.369 -4.329 7.365 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -18.527 -4.015 7.098 1.00 0.00 O ATOM 0 H GLU A 89 -15.759 -3.986 2.098 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.469 -1.680 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.133 -4.316 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.369 -2.967 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.932 -3.360 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.303 -4.995 4.690 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.944 -2.003 2.105 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.617 -1.504 1.765 1.00 0.00 C ATOM 1352 C ASP A 90 -12.646 -0.003 1.483 1.00 0.00 C ATOM 1353 O ASP A 90 -11.611 0.662 1.523 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.060 -2.254 0.552 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.300 -3.505 0.947 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.470 -3.427 1.878 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.534 -4.563 0.326 1.00 0.00 O ATOM 0 H ASP A 90 -14.472 -2.374 1.315 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.966 -1.677 2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.880 -2.525 -0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.400 -1.593 -0.009 1.00 0.00 H new ATOM 1362 N THR A 91 -13.834 0.530 1.197 1.00 0.00 N ATOM 1363 CA THR A 91 -13.991 1.946 0.912 1.00 0.00 C ATOM 1364 C THR A 91 -13.320 2.808 1.978 1.00 0.00 C ATOM 1365 O THR A 91 -13.841 2.971 3.082 1.00 0.00 O ATOM 1366 CB THR A 91 -15.475 2.272 0.811 1.00 0.00 C ATOM 1367 OG1 THR A 91 -16.049 1.579 -0.282 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.767 3.747 0.629 1.00 0.00 C ATOM 0 H THR A 91 -14.702 -0.005 1.158 1.00 0.00 H new ATOM 0 HA THR A 91 -13.502 2.170 -0.036 1.00 0.00 H new ATOM 0 HB THR A 91 -15.908 1.961 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 91 -17.004 1.792 -0.340 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.844 3.899 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.371 4.304 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.296 4.101 -0.288 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.157 3.357 1.637 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.408 4.201 2.561 1.00 0.00 C ATOM 1378 C ALA A 92 -10.248 4.898 1.856 1.00 0.00 C ATOM 1379 O ALA A 92 -10.094 4.789 0.640 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.898 3.373 3.731 1.00 0.00 C ATOM 0 H ALA A 92 -11.714 3.232 0.727 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.081 4.971 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.340 4.013 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.743 2.929 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.245 2.583 3.360 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.433 5.611 2.627 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.287 6.322 2.077 1.00 0.00 C ATOM 1388 C VAL A 93 -7.049 5.431 2.080 1.00 0.00 C ATOM 1389 O VAL A 93 -6.450 5.191 3.127 1.00 0.00 O ATOM 1390 CB VAL A 93 -8.001 7.605 2.881 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.740 8.295 2.378 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.192 8.548 2.817 1.00 0.00 C ATOM 0 H VAL A 93 -9.546 5.711 3.636 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.527 6.595 1.049 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.837 7.325 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.561 9.198 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.890 7.621 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.865 8.561 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.974 9.449 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.388 8.817 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.069 8.055 3.236 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.676 4.938 0.904 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.524 4.072 0.768 1.00 0.00 C ATOM 1404 C TYR A 94 -4.248 4.883 0.576 1.00 0.00 C ATOM 1405 O TYR A 94 -4.028 5.471 -0.482 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.740 3.138 -0.416 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.411 1.836 -0.044 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.589 1.830 0.691 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.869 0.615 -0.426 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.210 0.644 1.035 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.484 -0.575 -0.086 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.654 -0.555 0.644 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.270 -1.737 0.985 1.00 0.00 O ATOM 0 H TYR A 94 -7.163 5.129 0.028 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.411 3.488 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.346 3.648 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.777 2.922 -0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.027 2.768 0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.953 0.596 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.126 0.657 1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.050 -1.516 -0.390 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.206 -1.563 1.217 1.00 0.00 H new ATOM 1423 N THR A 95 -3.411 4.915 1.606 1.00 0.00 N ATOM 1424 CA THR A 95 -2.158 5.659 1.547 1.00 0.00 C ATOM 1425 C THR A 95 -0.965 4.716 1.430 1.00 0.00 C ATOM 1426 O THR A 95 -1.094 3.511 1.633 1.00 0.00 O ATOM 1427 CB THR A 95 -2.009 6.538 2.790 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.234 7.176 3.103 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.955 7.614 2.643 1.00 0.00 C ATOM 0 H THR A 95 -3.576 4.435 2.491 1.00 0.00 H new ATOM 0 HA THR A 95 -2.181 6.292 0.660 1.00 0.00 H new ATOM 0 HB THR A 95 -1.702 5.860 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.119 7.732 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.903 8.200 3.561 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.013 7.151 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.216 8.267 1.810 1.00 0.00 H new ATOM 1437 N CYS A 96 0.197 5.273 1.106 1.00 0.00 N ATOM 1438 CA CYS A 96 1.413 4.481 0.972 1.00 0.00 C ATOM 1439 C CYS A 96 2.547 5.108 1.774 1.00 0.00 C ATOM 1440 O CYS A 96 2.766 6.319 1.716 1.00 0.00 O ATOM 1441 CB CYS A 96 1.817 4.351 -0.499 1.00 0.00 C ATOM 1442 SG CYS A 96 1.751 5.913 -1.435 1.00 0.00 S ATOM 0 H CYS A 96 0.322 6.270 0.931 1.00 0.00 H new ATOM 0 HA CYS A 96 1.214 3.484 1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.830 3.952 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.163 3.624 -0.981 1.00 0.00 H new ATOM 1447 N GLY A 97 3.261 4.280 2.530 1.00 0.00 N ATOM 1448 CA GLY A 97 4.357 4.780 3.338 1.00 0.00 C ATOM 1449 C GLY A 97 5.556 3.853 3.335 1.00 0.00 C ATOM 1450 O GLY A 97 5.558 2.829 2.652 1.00 0.00 O ATOM 0 H GLY A 97 3.101 3.275 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.659 5.759 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.013 4.919 4.363 1.00 0.00 H new ATOM 1454 N ALA A 98 6.579 4.216 4.102 1.00 0.00 N ATOM 1455 CA ALA A 98 7.793 3.415 4.190 1.00 0.00 C ATOM 1456 C ALA A 98 8.265 3.293 5.632 1.00 0.00 C ATOM 1457 O ALA A 98 7.794 4.009 6.516 1.00 0.00 O ATOM 1458 CB ALA A 98 8.885 4.020 3.322 1.00 0.00 C ATOM 0 H ALA A 98 6.590 5.062 4.672 1.00 0.00 H new ATOM 0 HA ALA A 98 7.568 2.413 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.787 3.413 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.551 4.049 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.101 5.033 3.662 1.00 0.00 H new ATOM 1464 N GLY A 99 9.199 2.378 5.861 1.00 0.00 N ATOM 1465 CA GLY A 99 9.722 2.172 7.198 1.00 0.00 C ATOM 1466 C GLY A 99 11.143 2.674 7.350 1.00 0.00 C ATOM 1467 O GLY A 99 11.698 3.275 6.431 1.00 0.00 O ATOM 0 H GLY A 99 9.604 1.775 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.081 2.682 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.688 1.109 7.438 1.00 0.00 H new ATOM 1471 N GLU A 100 11.730 2.434 8.517 1.00 0.00 N ATOM 1472 CA GLU A 100 13.092 2.866 8.794 1.00 0.00 C ATOM 1473 C GLU A 100 13.528 2.409 10.183 1.00 0.00 C ATOM 1474 O GLU A 100 12.963 2.831 11.192 1.00 0.00 O ATOM 1475 CB GLU A 100 13.185 4.384 8.688 1.00 0.00 C ATOM 1476 CG GLU A 100 13.733 4.869 7.355 1.00 0.00 C ATOM 1477 CD GLU A 100 14.788 5.946 7.516 1.00 0.00 C ATOM 1478 OE1 GLU A 100 14.658 6.771 8.444 1.00 0.00 O ATOM 1479 OE2 GLU A 100 15.745 5.965 6.713 1.00 0.00 O ATOM 0 H GLU A 100 11.281 1.941 9.288 1.00 0.00 H new ATOM 0 HA GLU A 100 13.758 2.414 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.194 4.812 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.821 4.758 9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.160 4.025 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.914 5.256 6.749 1.00 0.00 H new ATOM 1486 N GLY A 101 14.532 1.541 10.226 1.00 0.00 N ATOM 1487 CA GLY A 101 15.024 1.037 11.490 1.00 0.00 C ATOM 1488 C GLY A 101 13.972 0.259 12.260 1.00 0.00 C ATOM 1489 O GLY A 101 14.128 0.012 13.456 1.00 0.00 O ATOM 0 H GLY A 101 15.014 1.177 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.886 0.394 11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.371 1.872 12.099 1.00 0.00 H new ATOM 1493 N GLY A 102 12.899 -0.130 11.575 1.00 0.00 N ATOM 1494 CA GLY A 102 11.839 -0.879 12.222 1.00 0.00 C ATOM 1495 C GLY A 102 10.580 -0.056 12.428 1.00 0.00 C ATOM 1496 O GLY A 102 9.525 -0.599 12.755 1.00 0.00 O ATOM 0 H GLY A 102 12.746 0.061 10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.600 -1.756 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.193 -1.241 13.187 1.00 0.00 H new ATOM 1500 N THR A 103 10.690 1.257 12.242 1.00 0.00 N ATOM 1501 CA THR A 103 9.560 2.153 12.415 1.00 0.00 C ATOM 1502 C THR A 103 8.954 2.524 11.064 1.00 0.00 C ATOM 1503 O THR A 103 9.438 2.098 10.016 1.00 0.00 O ATOM 1504 CB THR A 103 10.030 3.410 13.139 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.906 3.078 14.201 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.908 4.246 13.716 1.00 0.00 C ATOM 0 H THR A 103 11.556 1.722 11.970 1.00 0.00 H new ATOM 0 HA THR A 103 8.793 1.651 13.004 1.00 0.00 H new ATOM 0 HB THR A 103 10.533 4.001 12.373 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.198 3.897 14.652 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.325 5.121 14.214 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.244 4.567 12.914 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.345 3.652 14.437 1.00 0.00 H new ATOM 1514 N TRP A 104 7.896 3.325 11.099 1.00 0.00 N ATOM 1515 CA TRP A 104 7.222 3.766 9.883 1.00 0.00 C ATOM 1516 C TRP A 104 6.799 5.226 10.001 1.00 0.00 C ATOM 1517 O TRP A 104 5.752 5.536 10.568 1.00 0.00 O ATOM 1518 CB TRP A 104 6.001 2.890 9.604 1.00 0.00 C ATOM 1519 CG TRP A 104 6.353 1.479 9.250 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.699 0.482 10.115 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.398 0.908 7.938 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.952 -0.677 9.420 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.774 -0.441 8.081 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.154 1.407 6.655 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.911 -1.296 6.990 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.292 0.558 5.573 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.666 -0.781 5.746 1.00 0.00 C ATOM 0 H TRP A 104 7.484 3.684 11.960 1.00 0.00 H new ATOM 0 HA TRP A 104 7.922 3.672 9.053 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.356 2.887 10.483 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.426 3.329 8.789 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.764 0.588 11.188 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.227 -1.568 9.833 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.863 2.437 6.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.200 -2.328 7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.108 0.933 4.577 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.763 -1.420 4.880 1.00 0.00 H new ATOM 1538 N ASP A 105 7.625 6.118 9.465 1.00 0.00 N ATOM 1539 CA ASP A 105 7.341 7.548 9.513 1.00 0.00 C ATOM 1540 C ASP A 105 7.181 8.135 8.109 1.00 0.00 C ATOM 1541 O ASP A 105 6.828 9.304 7.956 1.00 0.00 O ATOM 1542 CB ASP A 105 8.453 8.273 10.270 1.00 0.00 C ATOM 1543 CG ASP A 105 8.334 9.784 10.192 1.00 0.00 C ATOM 1544 OD1 ASP A 105 8.889 10.375 9.243 1.00 0.00 O ATOM 1545 OD2 ASP A 105 7.686 10.375 11.082 1.00 0.00 O ATOM 0 H ASP A 105 8.496 5.876 8.993 1.00 0.00 H new ATOM 0 HA ASP A 105 6.397 7.689 10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.434 7.966 11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.419 7.969 9.866 1.00 0.00 H new ATOM 1550 N SER A 106 7.436 7.322 7.085 1.00 0.00 N ATOM 1551 CA SER A 106 7.311 7.776 5.705 1.00 0.00 C ATOM 1552 C SER A 106 5.912 7.496 5.166 1.00 0.00 C ATOM 1553 O SER A 106 5.399 6.384 5.292 1.00 0.00 O ATOM 1554 CB SER A 106 8.359 7.092 4.823 1.00 0.00 C ATOM 1555 OG SER A 106 9.329 8.020 4.369 1.00 0.00 O ATOM 0 H SER A 106 7.729 6.350 7.186 1.00 0.00 H new ATOM 0 HA SER A 106 7.479 8.853 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.848 6.296 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.870 6.625 3.968 1.00 0.00 H new ATOM 0 HG SER A 106 9.747 7.682 3.550 1.00 0.00 H new ATOM 1561 N TRP A 107 5.300 8.511 4.565 1.00 0.00 N ATOM 1562 CA TRP A 107 3.961 8.373 4.007 1.00 0.00 C ATOM 1563 C TRP A 107 3.830 9.152 2.703 1.00 0.00 C ATOM 1564 O TRP A 107 4.663 10.002 2.387 1.00 0.00 O ATOM 1565 CB TRP A 107 2.915 8.868 5.006 1.00 0.00 C ATOM 1566 CG TRP A 107 3.096 8.317 6.385 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.926 8.796 7.354 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.429 7.184 6.951 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.818 8.030 8.490 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.904 7.034 8.267 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.476 6.282 6.471 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.456 6.019 9.109 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.032 5.274 7.307 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.521 5.150 8.614 1.00 0.00 C ATOM 0 H TRP A 107 5.711 9.438 4.452 1.00 0.00 H new ATOM 0 HA TRP A 107 3.792 7.316 3.801 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.954 9.956 5.051 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.923 8.599 4.644 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.574 9.653 7.245 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.334 8.179 9.357 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.093 6.370 5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.833 5.921 10.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.296 4.571 6.946 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.153 4.353 9.243 1.00 0.00 H new ATOM 1585 N GLY A 108 2.776 8.856 1.953 1.00 0.00 N ATOM 1586 CA GLY A 108 2.546 9.536 0.692 1.00 0.00 C ATOM 1587 C GLY A 108 1.491 10.619 0.803 1.00 0.00 C ATOM 1588 O GLY A 108 1.493 11.401 1.754 1.00 0.00 O ATOM 0 H GLY A 108 2.075 8.156 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.480 9.977 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.238 8.808 -0.059 1.00 0.00 H new ATOM 1592 N GLN A 109 0.588 10.667 -0.171 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.477 11.662 -0.178 1.00 0.00 C ATOM 1594 C GLN A 109 -1.831 11.019 0.108 1.00 0.00 C ATOM 1595 O GLN A 109 -2.743 11.670 0.618 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.515 12.388 -1.519 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.031 13.814 -1.425 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.012 14.837 -1.889 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.347 15.790 -2.593 1.00 0.00 O ATOM 1600 NE2 GLN A 109 1.242 14.643 -1.496 1.00 0.00 N ATOM 0 H GLN A 109 0.573 10.028 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.268 12.384 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.489 12.401 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.146 11.827 -2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.935 13.909 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.310 14.028 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 109 1.475 13.839 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 109 1.972 15.298 -1.777 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.955 9.737 -0.224 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.199 9.026 0.005 1.00 0.00 C ATOM 1611 C GLY A 110 -4.063 8.946 -1.237 1.00 0.00 C ATOM 1612 O GLY A 110 -4.046 9.847 -2.075 1.00 0.00 O ATOM 0 H GLY A 110 -1.215 9.178 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.978 8.018 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.756 9.523 0.799 1.00 0.00 H new ATOM 1616 N THR A 111 -4.827 7.866 -1.348 1.00 0.00 N ATOM 1617 CA THR A 111 -5.713 7.666 -2.489 1.00 0.00 C ATOM 1618 C THR A 111 -6.955 6.889 -2.067 1.00 0.00 C ATOM 1619 O THR A 111 -6.861 5.759 -1.589 1.00 0.00 O ATOM 1620 CB THR A 111 -4.984 6.928 -3.616 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.881 6.605 -4.663 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.322 5.642 -3.169 1.00 0.00 C ATOM 0 H THR A 111 -4.851 7.113 -0.660 1.00 0.00 H new ATOM 0 HA THR A 111 -6.021 8.644 -2.859 1.00 0.00 H new ATOM 0 HB THR A 111 -4.208 7.616 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.678 7.155 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.826 5.174 -4.019 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.587 5.861 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.077 4.964 -2.771 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.118 7.509 -2.231 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.375 6.878 -1.852 1.00 0.00 C ATOM 1632 C GLN A 112 -9.679 5.673 -2.734 1.00 0.00 C ATOM 1633 O GLN A 112 -9.468 5.698 -3.946 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.519 7.904 -1.907 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.910 7.316 -2.125 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.636 7.058 -0.823 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.905 6.575 0.171 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.840 7.291 -0.712 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.216 8.446 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.281 6.516 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.523 8.470 -0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.312 8.612 -2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.499 7.999 -2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.824 6.383 -2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.363 7.663 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.315 7.112 0.173 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.186 4.625 -2.101 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.542 3.397 -2.788 1.00 0.00 C ATOM 1649 C VAL A 113 -12.006 3.061 -2.521 1.00 0.00 C ATOM 1650 O VAL A 113 -12.320 2.329 -1.585 1.00 0.00 O ATOM 1651 CB VAL A 113 -9.650 2.240 -2.305 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.211 0.889 -2.732 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.228 2.418 -2.814 1.00 0.00 C ATOM 0 H VAL A 113 -10.361 4.604 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.392 3.537 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.635 2.261 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.557 0.094 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.206 0.758 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.272 0.848 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.610 1.591 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.231 2.432 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.823 3.358 -2.440 1.00 0.00 H new ATOM 1663 N THR A 114 -12.895 3.619 -3.335 1.00 0.00 N ATOM 1664 CA THR A 114 -14.330 3.401 -3.176 1.00 0.00 C ATOM 1665 C THR A 114 -14.764 2.039 -3.711 1.00 0.00 C ATOM 1666 O THR A 114 -14.194 1.526 -4.674 1.00 0.00 O ATOM 1667 CB THR A 114 -15.106 4.505 -3.897 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.726 5.782 -3.414 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.607 4.384 -3.743 1.00 0.00 C ATOM 0 H THR A 114 -12.647 4.228 -4.115 1.00 0.00 H new ATOM 0 HA THR A 114 -14.549 3.426 -2.109 1.00 0.00 H new ATOM 0 HB THR A 114 -14.856 4.390 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.232 6.475 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.095 5.198 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.939 3.430 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.870 4.436 -2.686 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.794 1.469 -3.087 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.329 0.185 -3.499 1.00 0.00 C ATOM 1679 C VAL A 115 -17.827 0.304 -3.749 1.00 0.00 C ATOM 1680 O VAL A 115 -18.446 1.311 -3.406 1.00 0.00 O ATOM 1681 CB VAL A 115 -16.077 -0.914 -2.444 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -16.123 -2.292 -3.087 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.745 -0.695 -1.739 1.00 0.00 C ATOM 0 H VAL A 115 -16.273 1.885 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.814 -0.102 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.869 -0.856 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.943 -3.054 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -17.103 -2.451 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.355 -2.360 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.590 -1.482 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.938 -0.720 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.752 0.274 -1.240 1.00 0.00 H new ATOM 1693 N SER A 116 -18.399 -0.723 -4.351 1.00 0.00 N ATOM 1694 CA SER A 116 -19.826 -0.737 -4.657 1.00 0.00 C ATOM 1695 C SER A 116 -20.653 -1.040 -3.413 1.00 0.00 C ATOM 1696 O SER A 116 -21.313 -0.159 -2.862 1.00 0.00 O ATOM 1697 CB SER A 116 -20.128 -1.764 -5.750 1.00 0.00 C ATOM 1698 OG SER A 116 -21.490 -1.708 -6.140 1.00 0.00 O ATOM 0 H SER A 116 -17.899 -1.563 -4.640 1.00 0.00 H new ATOM 0 HA SER A 116 -20.100 0.255 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.491 -1.578 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.891 -2.765 -5.389 1.00 0.00 H new ATOM 0 HG SER A 116 -21.657 -2.373 -6.841 1.00 0.00 H new ATOM 1704 N SER A 117 -20.615 -2.293 -2.980 1.00 0.00 N ATOM 1705 CA SER A 117 -21.362 -2.722 -1.803 1.00 0.00 C ATOM 1706 C SER A 117 -22.864 -2.588 -2.033 1.00 0.00 C ATOM 1707 O SER A 117 -23.345 -1.441 -2.150 1.00 0.00 O ATOM 1708 CB SER A 117 -20.948 -1.901 -0.580 1.00 0.00 C ATOM 1709 OG SER A 117 -21.592 -2.370 0.592 1.00 0.00 O ATOM 1710 OXT SER A 117 -23.548 -3.632 -2.094 1.00 0.00 O ATOM 0 H SER A 117 -20.073 -3.033 -3.427 1.00 0.00 H new ATOM 0 HA SER A 117 -21.131 -3.772 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 117 -19.867 -1.955 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 117 -21.198 -0.852 -0.741 1.00 0.00 H new ATOM 0 HG SER A 117 -21.309 -1.830 1.359 1.00 0.00 H new TER 1716 SER A 117