USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 721 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 95 LYS NZ :NH3+ 161:sc= -0.0254 (180deg=-0.233) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.278 K(o=-0.3,f=-2.9) USER MOD Set 2.1: A 66 HIS : no HE2:sc= -1.95 K(o=-5,f=-6.4) USER MOD Set 2.2: A 133 HIS : no HE2:sc= -3.09! C(o=-5!,f=-6.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00888 K(o=-0.0089,f=-1.9!) USER MOD Single : A 9 SER OG : rot 33:sc= -2.13 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.5) USER MOD Single : A 15 THR OG1 : rot -73:sc= 0.547 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.951 X(o=-0.95,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -113:sc= -0.362 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 111:sc= 1.52 USER MOD Single : A 39 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.38) USER MOD Single : A 68 THR OG1 : rot -28:sc= -0.34 USER MOD Single : A 77 TYR OH : rot 67:sc= 0.142 USER MOD Single : A 79 ASN : amide:sc=-0.00815 K(o=-0.0081,f=-1) USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= 0.299 (180deg=0.068) USER MOD Single : A 85 ASN : amide:sc=-0.00514 X(o=-0.0051,f=-0.0051) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0.00437 (180deg=0.00402) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 3.047 -3.710 -1.927 1.00 0.00 N ATOM 30 CA PHE A 3 2.829 -4.981 -1.248 1.00 0.00 C ATOM 31 C PHE A 3 4.072 -5.862 -1.329 1.00 0.00 C ATOM 32 O PHE A 3 4.958 -5.632 -2.153 1.00 0.00 O ATOM 33 CB PHE A 3 1.632 -5.712 -1.860 1.00 0.00 C ATOM 34 CG PHE A 3 1.010 -6.722 -0.939 1.00 0.00 C ATOM 35 CD1 PHE A 3 0.055 -6.337 -0.011 1.00 0.00 C ATOM 36 CD2 PHE A 3 1.380 -8.055 -1.000 1.00 0.00 C ATOM 37 CE1 PHE A 3 -0.518 -7.264 0.839 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.810 -8.987 -0.153 1.00 0.00 C ATOM 39 CZ PHE A 3 -0.141 -8.591 0.767 1.00 0.00 C ATOM 0 HA PHE A 3 2.621 -4.772 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.877 -4.980 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.951 -6.214 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.245 -5.301 0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.123 -8.370 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.260 -6.951 1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.108 -10.023 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.589 -9.317 1.429 1.00 0.00 H new ATOM 49 N LYS A 4 4.132 -6.872 -0.468 1.00 0.00 N ATOM 50 CA LYS A 4 5.265 -7.789 -0.440 1.00 0.00 C ATOM 51 C LYS A 4 4.835 -9.171 0.042 1.00 0.00 C ATOM 52 O LYS A 4 3.944 -9.297 0.883 1.00 0.00 O ATOM 53 CB LYS A 4 6.369 -7.241 0.467 1.00 0.00 C ATOM 54 CG LYS A 4 7.397 -6.399 -0.267 1.00 0.00 C ATOM 55 CD LYS A 4 8.286 -7.252 -1.156 1.00 0.00 C ATOM 56 CE LYS A 4 9.491 -7.783 -0.394 1.00 0.00 C ATOM 57 NZ LYS A 4 10.624 -6.817 -0.407 1.00 0.00 N ATOM 0 H LYS A 4 3.408 -7.076 0.221 1.00 0.00 H new ATOM 0 HA LYS A 4 5.650 -7.882 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.915 -6.640 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.875 -8.075 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.888 -5.649 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.012 -5.862 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.710 -8.087 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.624 -6.662 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.205 -7.994 0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.813 -8.726 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.426 -7.215 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.914 -6.635 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.325 -5.925 0.037 1.00 0.00 H new ATOM 71 N PHE A 5 5.474 -10.205 -0.494 1.00 0.00 N ATOM 72 CA PHE A 5 5.158 -11.578 -0.117 1.00 0.00 C ATOM 73 C PHE A 5 5.198 -11.749 1.399 1.00 0.00 C ATOM 74 O PHE A 5 6.124 -11.286 2.063 1.00 0.00 O ATOM 75 CB PHE A 5 6.139 -12.549 -0.777 1.00 0.00 C ATOM 76 CG PHE A 5 6.232 -12.387 -2.268 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.138 -11.955 -3.000 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.413 -12.665 -2.936 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.220 -11.805 -4.372 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.502 -12.516 -4.307 1.00 0.00 C ATOM 81 CZ PHE A 5 6.404 -12.085 -5.026 1.00 0.00 C ATOM 0 H PHE A 5 6.214 -10.119 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 5 4.149 -11.800 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.128 -12.406 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.835 -13.571 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.211 -11.733 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.275 -13.002 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.359 -11.469 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.429 -12.736 -4.816 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.471 -11.967 -6.097 1.00 0.00 H new ATOM 91 N GLY A 6 4.185 -12.419 1.940 1.00 0.00 N ATOM 92 CA GLY A 6 4.122 -12.640 3.373 1.00 0.00 C ATOM 93 C GLY A 6 4.996 -13.794 3.820 1.00 0.00 C ATOM 94 O GLY A 6 5.784 -14.327 3.038 1.00 0.00 O ATOM 0 H GLY A 6 3.407 -12.813 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.431 -11.732 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.090 -12.837 3.662 1.00 0.00 H new ATOM 98 N LYS A 7 4.860 -14.182 5.084 1.00 0.00 N ATOM 99 CA LYS A 7 5.644 -15.280 5.637 1.00 0.00 C ATOM 100 C LYS A 7 5.325 -16.590 4.923 1.00 0.00 C ATOM 101 O LYS A 7 6.212 -17.405 4.676 1.00 0.00 O ATOM 102 CB LYS A 7 5.372 -15.424 7.136 1.00 0.00 C ATOM 103 CG LYS A 7 6.521 -16.053 7.905 1.00 0.00 C ATOM 104 CD LYS A 7 6.422 -17.569 7.915 1.00 0.00 C ATOM 105 CE LYS A 7 5.622 -18.067 9.109 1.00 0.00 C ATOM 106 NZ LYS A 7 5.411 -19.541 9.060 1.00 0.00 N ATOM 0 H LYS A 7 4.213 -13.752 5.745 1.00 0.00 H new ATOM 0 HA LYS A 7 6.699 -15.052 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.161 -14.440 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.477 -16.029 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.468 -15.752 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.521 -15.681 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.952 -17.910 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.423 -18.000 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.143 -17.805 10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.656 -17.563 9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.862 -19.841 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.891 -19.789 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.332 -20.024 9.061 1.00 0.00 H new ATOM 120 N ASN A 8 4.052 -16.783 4.593 1.00 0.00 N ATOM 121 CA ASN A 8 3.616 -17.994 3.906 1.00 0.00 C ATOM 122 C ASN A 8 3.976 -17.939 2.425 1.00 0.00 C ATOM 123 O ASN A 8 4.487 -18.907 1.863 1.00 0.00 O ATOM 124 CB ASN A 8 2.107 -18.182 4.069 1.00 0.00 C ATOM 125 CG ASN A 8 1.661 -18.061 5.514 1.00 0.00 C ATOM 126 OD1 ASN A 8 1.684 -16.975 6.093 1.00 0.00 O ATOM 127 ND2 ASN A 8 1.254 -19.179 6.104 1.00 0.00 N ATOM 0 H ASN A 8 3.305 -16.117 4.790 1.00 0.00 H new ATOM 0 HA ASN A 8 4.132 -18.843 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.584 -17.439 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.822 -19.161 3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.944 -19.159 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.252 -20.057 5.586 1.00 0.00 H new ATOM 134 N SER A 9 3.706 -16.798 1.798 1.00 0.00 N ATOM 135 CA SER A 9 3.998 -16.617 0.381 1.00 0.00 C ATOM 136 C SER A 9 5.467 -16.906 0.088 1.00 0.00 C ATOM 137 O SER A 9 5.789 -17.712 -0.784 1.00 0.00 O ATOM 138 CB SER A 9 3.651 -15.192 -0.055 1.00 0.00 C ATOM 139 OG SER A 9 4.193 -14.903 -1.332 1.00 0.00 O ATOM 0 H SER A 9 3.286 -15.986 2.249 1.00 0.00 H new ATOM 0 HA SER A 9 3.387 -17.321 -0.183 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.568 -15.070 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.036 -14.481 0.676 1.00 0.00 H new ATOM 0 HG SER A 9 4.201 -15.718 -1.876 1.00 0.00 H new ATOM 145 N GLU A 10 6.353 -16.242 0.823 1.00 0.00 N ATOM 146 CA GLU A 10 7.788 -16.428 0.641 1.00 0.00 C ATOM 147 C GLU A 10 8.152 -17.909 0.662 1.00 0.00 C ATOM 148 O GLU A 10 9.047 -18.351 -0.060 1.00 0.00 O ATOM 149 CB GLU A 10 8.563 -15.686 1.732 1.00 0.00 C ATOM 150 CG GLU A 10 10.048 -16.005 1.748 1.00 0.00 C ATOM 151 CD GLU A 10 10.372 -17.236 2.571 1.00 0.00 C ATOM 152 OE1 GLU A 10 9.444 -17.799 3.188 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.555 -17.636 2.599 1.00 0.00 O ATOM 0 H GLU A 10 6.103 -15.571 1.549 1.00 0.00 H new ATOM 0 HA GLU A 10 8.061 -16.018 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.432 -14.613 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.136 -15.936 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.394 -16.155 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.595 -15.151 2.148 1.00 0.00 H new ATOM 160 N LYS A 11 7.452 -18.673 1.494 1.00 0.00 N ATOM 161 CA LYS A 11 7.699 -20.105 1.610 1.00 0.00 C ATOM 162 C LYS A 11 7.115 -20.856 0.417 1.00 0.00 C ATOM 163 O LYS A 11 7.659 -21.873 -0.013 1.00 0.00 O ATOM 164 CB LYS A 11 7.097 -20.644 2.910 1.00 0.00 C ATOM 165 CG LYS A 11 7.096 -22.160 2.997 1.00 0.00 C ATOM 166 CD LYS A 11 5.704 -22.730 2.780 1.00 0.00 C ATOM 167 CE LYS A 11 5.649 -23.610 1.541 1.00 0.00 C ATOM 168 NZ LYS A 11 4.423 -24.454 1.514 1.00 0.00 N ATOM 0 H LYS A 11 6.708 -18.324 2.098 1.00 0.00 H new ATOM 0 HA LYS A 11 8.777 -20.262 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.656 -20.240 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.073 -20.282 3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.778 -22.569 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.469 -22.470 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.407 -23.311 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.987 -21.915 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.678 -22.984 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.531 -24.250 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.423 -25.039 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.407 -25.070 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.581 -23.843 1.517 1.00 0.00 H new ATOM 182 N GLN A 12 6.006 -20.348 -0.111 1.00 0.00 N ATOM 183 CA GLN A 12 5.350 -20.971 -1.254 1.00 0.00 C ATOM 184 C GLN A 12 6.256 -20.948 -2.481 1.00 0.00 C ATOM 185 O GLN A 12 6.447 -21.969 -3.144 1.00 0.00 O ATOM 186 CB GLN A 12 4.033 -20.258 -1.564 1.00 0.00 C ATOM 187 CG GLN A 12 2.976 -20.435 -0.485 1.00 0.00 C ATOM 188 CD GLN A 12 1.936 -19.333 -0.502 1.00 0.00 C ATOM 189 OE1 GLN A 12 1.583 -18.812 -1.560 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.437 -18.972 0.675 1.00 0.00 N ATOM 0 H GLN A 12 5.543 -19.507 0.234 1.00 0.00 H new ATOM 0 HA GLN A 12 5.141 -22.010 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.228 -19.194 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.641 -20.632 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.482 -21.397 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.459 -20.458 0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.758 -19.431 1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.733 -18.236 0.726 1.00 0.00 H new ATOM 199 N LEU A 13 6.810 -19.778 -2.778 1.00 0.00 N ATOM 200 CA LEU A 13 7.696 -19.622 -3.927 1.00 0.00 C ATOM 201 C LEU A 13 9.065 -20.234 -3.646 1.00 0.00 C ATOM 202 O LEU A 13 9.761 -20.669 -4.563 1.00 0.00 O ATOM 203 CB LEU A 13 7.850 -18.141 -4.279 1.00 0.00 C ATOM 204 CG LEU A 13 6.582 -17.428 -4.748 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.807 -18.302 -5.722 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.711 -17.050 -3.559 1.00 0.00 C ATOM 0 H LEU A 13 6.662 -18.924 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 13 7.250 -20.146 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.234 -17.618 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.604 -18.050 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 13 6.873 -16.513 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.908 -17.778 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.430 -18.521 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.527 -19.234 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.813 -16.543 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.429 -17.951 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.266 -16.385 -2.898 1.00 0.00 H new ATOM 218 N ALA A 14 9.443 -20.266 -2.372 1.00 0.00 N ATOM 219 CA ALA A 14 10.726 -20.829 -1.971 1.00 0.00 C ATOM 220 C ALA A 14 10.698 -22.353 -2.025 1.00 0.00 C ATOM 221 O ALA A 14 11.735 -23.008 -1.914 1.00 0.00 O ATOM 222 CB ALA A 14 11.096 -20.356 -0.572 1.00 0.00 C ATOM 0 H ALA A 14 8.879 -19.909 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 14 11.483 -20.480 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.056 -20.784 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.166 -19.268 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.331 -20.676 0.135 1.00 0.00 H new ATOM 228 N THR A 15 9.505 -22.913 -2.196 1.00 0.00 N ATOM 229 CA THR A 15 9.341 -24.359 -2.263 1.00 0.00 C ATOM 230 C THR A 15 9.134 -24.823 -3.701 1.00 0.00 C ATOM 231 O THR A 15 9.063 -26.021 -3.973 1.00 0.00 O ATOM 232 CB THR A 15 8.151 -24.831 -1.407 1.00 0.00 C ATOM 233 OG1 THR A 15 7.059 -23.914 -1.539 1.00 0.00 O ATOM 234 CG2 THR A 15 8.549 -24.945 0.057 1.00 0.00 C ATOM 0 H THR A 15 8.637 -22.386 -2.291 1.00 0.00 H new ATOM 0 HA THR A 15 10.258 -24.799 -1.870 1.00 0.00 H new ATOM 0 HB THR A 15 7.844 -25.815 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.263 -23.090 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.692 -25.280 0.642 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.361 -25.665 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.879 -23.972 0.421 1.00 0.00 H new ATOM 242 N VAL A 16 9.037 -23.866 -4.618 1.00 0.00 N ATOM 243 CA VAL A 16 8.840 -24.177 -6.029 1.00 0.00 C ATOM 244 C VAL A 16 10.026 -24.952 -6.592 1.00 0.00 C ATOM 245 O VAL A 16 11.174 -24.705 -6.224 1.00 0.00 O ATOM 246 CB VAL A 16 8.635 -22.897 -6.862 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.966 -22.206 -7.116 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.935 -23.222 -8.173 1.00 0.00 C ATOM 0 H VAL A 16 9.092 -22.869 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 16 7.943 -24.793 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 16 8.001 -22.214 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.801 -21.304 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.424 -21.938 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.628 -22.880 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.798 -22.307 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.542 -23.924 -8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.963 -23.669 -7.965 1.00 0.00 H new ATOM 258 N LYS A 17 9.740 -25.891 -7.488 1.00 0.00 N ATOM 259 CA LYS A 17 10.782 -26.703 -8.105 1.00 0.00 C ATOM 260 C LYS A 17 11.622 -25.870 -9.067 1.00 0.00 C ATOM 261 O LYS A 17 12.833 -25.721 -8.902 1.00 0.00 O ATOM 262 CB LYS A 17 10.161 -27.888 -8.847 1.00 0.00 C ATOM 263 CG LYS A 17 10.434 -29.229 -8.189 1.00 0.00 C ATOM 264 CD LYS A 17 11.788 -29.785 -8.597 1.00 0.00 C ATOM 265 CE LYS A 17 12.118 -31.063 -7.840 1.00 0.00 C ATOM 266 NZ LYS A 17 11.407 -32.242 -8.408 1.00 0.00 N ATOM 0 H LYS A 17 8.795 -26.108 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 17 11.432 -27.078 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.083 -27.739 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.545 -27.909 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.397 -29.118 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.651 -29.936 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.793 -29.984 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.560 -29.039 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.194 -31.237 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.846 -30.945 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.658 -33.093 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.380 -32.087 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.686 -32.370 -9.402 1.00 0.00 H new ATOM 280 N PRO A 18 10.967 -25.313 -10.096 1.00 0.00 N ATOM 281 CA PRO A 18 11.635 -24.484 -11.104 1.00 0.00 C ATOM 282 C PRO A 18 12.091 -23.142 -10.541 1.00 0.00 C ATOM 283 O PRO A 18 12.144 -22.955 -9.326 1.00 0.00 O ATOM 284 CB PRO A 18 10.553 -24.277 -12.167 1.00 0.00 C ATOM 285 CG PRO A 18 9.266 -24.432 -11.433 1.00 0.00 C ATOM 286 CD PRO A 18 9.524 -25.449 -10.355 1.00 0.00 C ATOM 0 HA PRO A 18 12.541 -24.956 -11.484 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.631 -23.291 -12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.642 -25.009 -12.970 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.944 -23.483 -11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.473 -24.765 -12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.934 -25.245 -9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.268 -26.456 -10.683 1.00 0.00 H new ATOM 294 N GLU A 19 12.419 -22.212 -11.433 1.00 0.00 N ATOM 295 CA GLU A 19 12.871 -20.888 -11.023 1.00 0.00 C ATOM 296 C GLU A 19 11.861 -19.818 -11.429 1.00 0.00 C ATOM 297 O GLU A 19 12.202 -18.641 -11.551 1.00 0.00 O ATOM 298 CB GLU A 19 14.236 -20.577 -11.640 1.00 0.00 C ATOM 299 CG GLU A 19 14.316 -20.883 -13.126 1.00 0.00 C ATOM 300 CD GLU A 19 14.670 -22.331 -13.404 1.00 0.00 C ATOM 301 OE1 GLU A 19 15.838 -22.711 -13.176 1.00 0.00 O ATOM 302 OE2 GLU A 19 13.779 -23.084 -13.851 1.00 0.00 O ATOM 0 H GLU A 19 12.380 -22.351 -12.443 1.00 0.00 H new ATOM 0 HA GLU A 19 12.962 -20.884 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.465 -19.523 -11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.001 -21.152 -11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.359 -20.650 -13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.062 -20.235 -13.587 1.00 0.00 H new ATOM 309 N LEU A 20 10.618 -20.236 -11.639 1.00 0.00 N ATOM 310 CA LEU A 20 9.557 -19.315 -12.033 1.00 0.00 C ATOM 311 C LEU A 20 9.397 -18.199 -11.006 1.00 0.00 C ATOM 312 O LEU A 20 9.110 -17.055 -11.359 1.00 0.00 O ATOM 313 CB LEU A 20 8.236 -20.068 -12.196 1.00 0.00 C ATOM 314 CG LEU A 20 7.544 -20.497 -10.901 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.655 -19.380 -10.375 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.733 -21.765 -11.125 1.00 0.00 C ATOM 0 H LEU A 20 10.320 -21.207 -11.543 1.00 0.00 H new ATOM 0 HA LEU A 20 9.833 -18.868 -12.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.549 -19.438 -12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.420 -20.958 -12.798 1.00 0.00 H new ATOM 0 HG LEU A 20 8.310 -20.706 -10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.171 -19.704 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.261 -18.496 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.895 -19.139 -11.118 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.248 -22.056 -10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.976 -21.583 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.394 -22.566 -11.455 1.00 0.00 H new ATOM 328 N GLN A 21 9.585 -18.539 -9.735 1.00 0.00 N ATOM 329 CA GLN A 21 9.463 -17.564 -8.658 1.00 0.00 C ATOM 330 C GLN A 21 10.313 -16.330 -8.941 1.00 0.00 C ATOM 331 O GLN A 21 9.981 -15.223 -8.515 1.00 0.00 O ATOM 332 CB GLN A 21 9.878 -18.190 -7.325 1.00 0.00 C ATOM 333 CG GLN A 21 11.303 -18.720 -7.321 1.00 0.00 C ATOM 334 CD GLN A 21 11.757 -19.161 -5.943 1.00 0.00 C ATOM 335 OE1 GLN A 21 12.228 -20.284 -5.763 1.00 0.00 O ATOM 336 NE2 GLN A 21 11.618 -18.277 -4.962 1.00 0.00 N ATOM 0 H GLN A 21 9.822 -19.482 -9.426 1.00 0.00 H new ATOM 0 HA GLN A 21 8.419 -17.257 -8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.773 -17.446 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.195 -19.005 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.376 -19.561 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.976 -17.946 -7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.222 -17.357 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.907 -18.518 -4.014 1.00 0.00 H new ATOM 345 N LYS A 22 11.411 -16.527 -9.662 1.00 0.00 N ATOM 346 CA LYS A 22 12.310 -15.430 -10.003 1.00 0.00 C ATOM 347 C LYS A 22 11.559 -14.316 -10.726 1.00 0.00 C ATOM 348 O LYS A 22 11.575 -13.163 -10.296 1.00 0.00 O ATOM 349 CB LYS A 22 13.457 -15.938 -10.880 1.00 0.00 C ATOM 350 CG LYS A 22 14.402 -16.882 -10.158 1.00 0.00 C ATOM 351 CD LYS A 22 15.815 -16.785 -10.708 1.00 0.00 C ATOM 352 CE LYS A 22 16.854 -17.049 -9.629 1.00 0.00 C ATOM 353 NZ LYS A 22 17.160 -18.500 -9.497 1.00 0.00 N ATOM 0 H LYS A 22 11.700 -17.436 -10.022 1.00 0.00 H new ATOM 0 HA LYS A 22 12.719 -15.027 -9.077 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.041 -16.448 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.024 -15.085 -11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.408 -16.648 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.041 -17.906 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.941 -17.503 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.974 -15.794 -11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.769 -16.505 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.492 -16.666 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.872 -18.638 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.293 -19.016 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.529 -18.860 -10.400 1.00 0.00 H new ATOM 367 N VAL A 23 10.900 -14.669 -11.825 1.00 0.00 N ATOM 368 CA VAL A 23 10.140 -13.699 -12.605 1.00 0.00 C ATOM 369 C VAL A 23 9.070 -13.026 -11.753 1.00 0.00 C ATOM 370 O VAL A 23 8.824 -11.827 -11.880 1.00 0.00 O ATOM 371 CB VAL A 23 9.470 -14.361 -13.824 1.00 0.00 C ATOM 372 CG1 VAL A 23 8.274 -13.542 -14.286 1.00 0.00 C ATOM 373 CG2 VAL A 23 10.474 -14.537 -14.953 1.00 0.00 C ATOM 0 H VAL A 23 10.877 -15.619 -12.195 1.00 0.00 H new ATOM 0 HA VAL A 23 10.848 -12.947 -12.953 1.00 0.00 H new ATOM 0 HB VAL A 23 9.112 -15.348 -13.529 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.813 -14.025 -15.148 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.546 -13.472 -13.477 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.604 -12.541 -14.564 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.984 -15.006 -15.806 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.863 -13.563 -15.249 1.00 0.00 H new ATOM 0 HG23 VAL A 23 11.295 -15.168 -14.614 1.00 0.00 H new ATOM 383 N ALA A 24 8.435 -13.807 -10.885 1.00 0.00 N ATOM 384 CA ALA A 24 7.392 -13.286 -10.010 1.00 0.00 C ATOM 385 C ALA A 24 7.927 -12.165 -9.125 1.00 0.00 C ATOM 386 O ALA A 24 7.348 -11.080 -9.064 1.00 0.00 O ATOM 387 CB ALA A 24 6.813 -14.404 -9.155 1.00 0.00 C ATOM 0 H ALA A 24 8.625 -14.802 -10.769 1.00 0.00 H new ATOM 0 HA ALA A 24 6.600 -12.874 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.035 -14.001 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.385 -15.171 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.603 -14.842 -8.545 1.00 0.00 H new ATOM 393 N ARG A 25 9.034 -12.434 -8.441 1.00 0.00 N ATOM 394 CA ARG A 25 9.645 -11.448 -7.557 1.00 0.00 C ATOM 395 C ARG A 25 10.032 -10.191 -8.331 1.00 0.00 C ATOM 396 O ARG A 25 9.622 -9.084 -7.982 1.00 0.00 O ATOM 397 CB ARG A 25 10.880 -12.040 -6.874 1.00 0.00 C ATOM 398 CG ARG A 25 10.596 -13.321 -6.108 1.00 0.00 C ATOM 399 CD ARG A 25 11.767 -14.288 -6.187 1.00 0.00 C ATOM 400 NE ARG A 25 13.013 -13.677 -5.731 1.00 0.00 N ATOM 401 CZ ARG A 25 13.306 -13.472 -4.452 1.00 0.00 C ATOM 402 NH1 ARG A 25 12.447 -13.828 -3.507 1.00 0.00 N ATOM 403 NH2 ARG A 25 14.460 -12.911 -4.116 1.00 0.00 N ATOM 0 H ARG A 25 9.526 -13.326 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 25 8.913 -11.175 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.642 -12.239 -7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.295 -11.301 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.388 -13.084 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.702 -13.797 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.552 -15.168 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.886 -14.630 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 25 13.695 -13.392 -6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.559 -14.260 -3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.674 -13.670 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.124 -12.636 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.684 -12.754 -3.133 1.00 0.00 H new ATOM 417 N ARG A 26 10.824 -10.370 -9.383 1.00 0.00 N ATOM 418 CA ARG A 26 11.268 -9.251 -10.205 1.00 0.00 C ATOM 419 C ARG A 26 10.075 -8.504 -10.795 1.00 0.00 C ATOM 420 O ARG A 26 10.093 -7.279 -10.911 1.00 0.00 O ATOM 421 CB ARG A 26 12.180 -9.746 -11.329 1.00 0.00 C ATOM 422 CG ARG A 26 12.682 -8.637 -12.239 1.00 0.00 C ATOM 423 CD ARG A 26 14.135 -8.853 -12.632 1.00 0.00 C ATOM 424 NE ARG A 26 14.854 -7.591 -12.784 1.00 0.00 N ATOM 425 CZ ARG A 26 15.332 -6.889 -11.762 1.00 0.00 C ATOM 426 NH1 ARG A 26 15.167 -7.324 -10.520 1.00 0.00 N ATOM 427 NH2 ARG A 26 15.975 -5.750 -11.981 1.00 0.00 N ATOM 0 H ARG A 26 11.171 -11.280 -9.686 1.00 0.00 H new ATOM 0 HA ARG A 26 11.827 -8.565 -9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.035 -10.260 -10.891 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.639 -10.479 -11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.064 -8.593 -13.136 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.580 -7.676 -11.734 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.629 -9.463 -11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.178 -9.410 -13.568 1.00 0.00 H new ATOM 0 HE ARG A 26 14.997 -7.228 -13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.672 -8.199 -10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.535 -6.783 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.103 -5.412 -12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.341 -5.212 -11.196 1.00 0.00 H new ATOM 441 N ALA A 27 9.041 -9.251 -11.168 1.00 0.00 N ATOM 442 CA ALA A 27 7.840 -8.660 -11.745 1.00 0.00 C ATOM 443 C ALA A 27 7.189 -7.681 -10.773 1.00 0.00 C ATOM 444 O ALA A 27 6.762 -6.594 -11.164 1.00 0.00 O ATOM 445 CB ALA A 27 6.854 -9.748 -12.141 1.00 0.00 C ATOM 0 H ALA A 27 9.011 -10.267 -11.081 1.00 0.00 H new ATOM 0 HA ALA A 27 8.130 -8.106 -12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.962 -9.292 -12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.315 -10.406 -12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.577 -10.327 -11.260 1.00 0.00 H new ATOM 451 N LEU A 28 7.114 -8.075 -9.506 1.00 0.00 N ATOM 452 CA LEU A 28 6.514 -7.232 -8.478 1.00 0.00 C ATOM 453 C LEU A 28 7.055 -5.808 -8.555 1.00 0.00 C ATOM 454 O LEU A 28 6.341 -4.847 -8.274 1.00 0.00 O ATOM 455 CB LEU A 28 6.782 -7.817 -7.090 1.00 0.00 C ATOM 456 CG LEU A 28 5.736 -7.509 -6.018 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.529 -8.714 -5.113 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.151 -6.293 -5.203 1.00 0.00 C ATOM 0 H LEU A 28 7.461 -8.972 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 28 5.438 -7.201 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.868 -8.899 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.748 -7.449 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 28 4.791 -7.285 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.781 -8.476 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.187 -9.561 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.470 -8.969 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.395 -6.088 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.107 -6.489 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.248 -5.430 -5.861 1.00 0.00 H new ATOM 470 N GLU A 29 8.321 -5.683 -8.941 1.00 0.00 N ATOM 471 CA GLU A 29 8.958 -4.376 -9.057 1.00 0.00 C ATOM 472 C GLU A 29 8.793 -3.813 -10.465 1.00 0.00 C ATOM 473 O GLU A 29 8.388 -2.663 -10.643 1.00 0.00 O ATOM 474 CB GLU A 29 10.444 -4.475 -8.706 1.00 0.00 C ATOM 475 CG GLU A 29 10.719 -5.261 -7.435 1.00 0.00 C ATOM 476 CD GLU A 29 11.527 -4.471 -6.424 1.00 0.00 C ATOM 477 OE1 GLU A 29 12.573 -3.908 -6.809 1.00 0.00 O ATOM 478 OE2 GLU A 29 11.112 -4.416 -5.247 1.00 0.00 O ATOM 0 H GLU A 29 8.925 -6.470 -9.178 1.00 0.00 H new ATOM 0 HA GLU A 29 8.471 -3.700 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.974 -4.944 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.850 -3.470 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.772 -5.559 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.254 -6.176 -7.687 1.00 0.00 H new ATOM 485 N LEU A 30 9.109 -4.630 -11.463 1.00 0.00 N ATOM 486 CA LEU A 30 8.996 -4.215 -12.857 1.00 0.00 C ATOM 487 C LEU A 30 7.607 -3.658 -13.149 1.00 0.00 C ATOM 488 O LEU A 30 7.466 -2.532 -13.627 1.00 0.00 O ATOM 489 CB LEU A 30 9.291 -5.394 -13.787 1.00 0.00 C ATOM 490 CG LEU A 30 10.731 -5.909 -13.781 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.908 -7.009 -14.817 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.706 -4.769 -14.039 1.00 0.00 C ATOM 0 H LEU A 30 9.446 -5.584 -11.333 1.00 0.00 H new ATOM 0 HA LEU A 30 9.728 -3.427 -13.036 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.630 -6.218 -13.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.035 -5.101 -14.805 1.00 0.00 H new ATOM 0 HG LEU A 30 10.944 -6.327 -12.797 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.939 -7.364 -14.799 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.236 -7.836 -14.588 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.677 -6.617 -15.807 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.726 -5.154 -14.031 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.494 -4.322 -15.010 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.597 -4.014 -13.260 1.00 0.00 H new ATOM 504 N SER A 31 6.583 -4.453 -12.857 1.00 0.00 N ATOM 505 CA SER A 31 5.203 -4.040 -13.089 1.00 0.00 C ATOM 506 C SER A 31 4.911 -2.710 -12.401 1.00 0.00 C ATOM 507 O SER A 31 5.598 -2.303 -11.463 1.00 0.00 O ATOM 508 CB SER A 31 4.236 -5.112 -12.584 1.00 0.00 C ATOM 509 OG SER A 31 3.158 -4.531 -11.871 1.00 0.00 O ATOM 0 H SER A 31 6.682 -5.387 -12.459 1.00 0.00 H new ATOM 0 HA SER A 31 5.063 -3.912 -14.162 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.851 -5.686 -13.427 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.768 -5.811 -11.939 1.00 0.00 H new ATOM 0 HG SER A 31 3.214 -4.787 -10.927 1.00 0.00 H new ATOM 515 N PRO A 32 3.867 -2.016 -12.876 1.00 0.00 N ATOM 516 CA PRO A 32 3.459 -0.721 -12.322 1.00 0.00 C ATOM 517 C PRO A 32 2.861 -0.851 -10.925 1.00 0.00 C ATOM 518 O PRO A 32 3.241 -0.125 -10.007 1.00 0.00 O ATOM 519 CB PRO A 32 2.401 -0.229 -13.313 1.00 0.00 C ATOM 520 CG PRO A 32 1.858 -1.470 -13.934 1.00 0.00 C ATOM 521 CD PRO A 32 3.004 -2.440 -13.991 1.00 0.00 C ATOM 0 HA PRO A 32 4.304 -0.042 -12.207 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.618 0.336 -12.808 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.837 0.431 -14.063 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.035 -1.873 -13.345 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.467 -1.269 -14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.666 -3.469 -13.868 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.527 -2.388 -14.946 1.00 0.00 H new ATOM 529 N TYR A 33 1.925 -1.781 -10.772 1.00 0.00 N ATOM 530 CA TYR A 33 1.274 -2.005 -9.486 1.00 0.00 C ATOM 531 C TYR A 33 1.749 -3.310 -8.855 1.00 0.00 C ATOM 532 O TYR A 33 2.031 -4.284 -9.553 1.00 0.00 O ATOM 533 CB TYR A 33 -0.246 -2.033 -9.659 1.00 0.00 C ATOM 534 CG TYR A 33 -0.718 -1.424 -10.960 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.586 -0.061 -11.200 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.298 -2.210 -11.948 1.00 0.00 C ATOM 537 CE1 TYR A 33 -1.017 0.499 -12.387 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.730 -1.658 -13.138 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.588 -0.303 -13.353 1.00 0.00 C ATOM 540 OH TYR A 33 -2.019 0.251 -14.536 1.00 0.00 O ATOM 0 H TYR A 33 1.600 -2.392 -11.522 1.00 0.00 H new ATOM 0 HA TYR A 33 1.543 -1.183 -8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.591 -3.066 -9.605 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.708 -1.499 -8.829 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.139 0.570 -10.446 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.413 -3.271 -11.783 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.907 1.560 -12.558 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.177 -2.284 -13.896 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.395 -0.450 -15.108 1.00 0.00 H new ATOM 550 N ASP A 34 1.834 -3.321 -7.529 1.00 0.00 N ATOM 551 CA ASP A 34 2.273 -4.506 -6.801 1.00 0.00 C ATOM 552 C ASP A 34 1.257 -5.636 -6.939 1.00 0.00 C ATOM 553 O ASP A 34 0.207 -5.468 -7.560 1.00 0.00 O ATOM 554 CB ASP A 34 2.486 -4.173 -5.324 1.00 0.00 C ATOM 555 CG ASP A 34 3.845 -3.554 -5.060 1.00 0.00 C ATOM 556 OD1 ASP A 34 4.180 -2.552 -5.726 1.00 0.00 O ATOM 557 OD2 ASP A 34 4.572 -4.071 -4.187 1.00 0.00 O ATOM 0 H ASP A 34 1.605 -2.523 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 34 3.218 -4.837 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.707 -3.486 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.383 -5.082 -4.731 1.00 0.00 H new ATOM 562 N PHE A 35 1.577 -6.787 -6.357 1.00 0.00 N ATOM 563 CA PHE A 35 0.694 -7.946 -6.417 1.00 0.00 C ATOM 564 C PHE A 35 0.953 -8.888 -5.245 1.00 0.00 C ATOM 565 O PHE A 35 2.100 -9.122 -4.862 1.00 0.00 O ATOM 566 CB PHE A 35 0.886 -8.692 -7.739 1.00 0.00 C ATOM 567 CG PHE A 35 2.111 -9.561 -7.764 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.084 -10.835 -7.219 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.289 -9.105 -8.332 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.209 -11.638 -7.241 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.417 -9.903 -8.357 1.00 0.00 C ATOM 572 CZ PHE A 35 4.377 -11.170 -7.809 1.00 0.00 C ATOM 0 H PHE A 35 2.441 -6.942 -5.838 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.335 -7.592 -6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.008 -9.309 -7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.948 -7.967 -8.551 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.173 -11.205 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.326 -8.114 -8.760 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.174 -12.630 -6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.329 -9.536 -8.805 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.258 -11.794 -7.825 1.00 0.00 H new ATOM 582 N THR A 36 -0.122 -9.427 -4.679 1.00 0.00 N ATOM 583 CA THR A 36 -0.013 -10.342 -3.550 1.00 0.00 C ATOM 584 C THR A 36 -0.129 -11.793 -4.004 1.00 0.00 C ATOM 585 O THR A 36 -1.067 -12.158 -4.714 1.00 0.00 O ATOM 586 CB THR A 36 -1.096 -10.060 -2.491 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.936 -10.947 -1.378 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.488 -10.227 -3.083 1.00 0.00 C ATOM 0 H THR A 36 -1.078 -9.246 -4.984 1.00 0.00 H new ATOM 0 HA THR A 36 0.970 -10.180 -3.107 1.00 0.00 H new ATOM 0 HB THR A 36 -0.983 -9.030 -2.153 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.636 -10.439 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.236 -10.023 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.617 -9.530 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.609 -11.248 -3.446 1.00 0.00 H new ATOM 596 N ILE A 37 0.830 -12.615 -3.592 1.00 0.00 N ATOM 597 CA ILE A 37 0.834 -14.027 -3.956 1.00 0.00 C ATOM 598 C ILE A 37 -0.266 -14.787 -3.222 1.00 0.00 C ATOM 599 O ILE A 37 -0.512 -14.554 -2.038 1.00 0.00 O ATOM 600 CB ILE A 37 2.192 -14.684 -3.647 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.205 -14.353 -4.744 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.031 -16.190 -3.504 1.00 0.00 C ATOM 603 CD1 ILE A 37 2.946 -15.079 -6.045 1.00 0.00 C ATOM 0 H ILE A 37 1.614 -12.328 -3.006 1.00 0.00 H new ATOM 0 HA ILE A 37 0.652 -14.077 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 37 2.565 -14.287 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.191 -13.279 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.205 -14.603 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.999 -16.640 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.339 -16.406 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.640 -16.604 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.703 -14.796 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.989 -16.155 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.959 -14.810 -6.421 1.00 0.00 H new ATOM 615 N VAL A 38 -0.922 -15.699 -3.931 1.00 0.00 N ATOM 616 CA VAL A 38 -1.994 -16.497 -3.347 1.00 0.00 C ATOM 617 C VAL A 38 -1.528 -17.921 -3.067 1.00 0.00 C ATOM 618 O VAL A 38 -1.792 -18.472 -1.999 1.00 0.00 O ATOM 619 CB VAL A 38 -3.226 -16.542 -4.269 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.337 -17.367 -3.636 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.709 -15.134 -4.583 1.00 0.00 C ATOM 0 H VAL A 38 -0.730 -15.904 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.271 -16.018 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.939 -17.020 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.200 -17.388 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.984 -18.384 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.624 -16.921 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.580 -15.185 -5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.979 -14.627 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.914 -14.579 -5.082 1.00 0.00 H new ATOM 631 N GLN A 39 -0.835 -18.512 -4.035 1.00 0.00 N ATOM 632 CA GLN A 39 -0.332 -19.873 -3.893 1.00 0.00 C ATOM 633 C GLN A 39 0.904 -20.091 -4.759 1.00 0.00 C ATOM 634 O GLN A 39 1.102 -19.402 -5.759 1.00 0.00 O ATOM 635 CB GLN A 39 -1.419 -20.882 -4.270 1.00 0.00 C ATOM 636 CG GLN A 39 -2.127 -21.491 -3.070 1.00 0.00 C ATOM 637 CD GLN A 39 -1.172 -22.182 -2.117 1.00 0.00 C ATOM 638 OE1 GLN A 39 -0.276 -22.913 -2.540 1.00 0.00 O ATOM 639 NE2 GLN A 39 -1.359 -21.954 -0.823 1.00 0.00 N ATOM 0 H GLN A 39 -0.609 -18.070 -4.926 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.052 -20.023 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.156 -20.390 -4.905 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.972 -21.681 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.665 -20.709 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.870 -22.209 -3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.115 -21.341 -0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.747 -22.392 -0.134 1.00 0.00 H new ATOM 648 N GLY A 40 1.733 -21.054 -4.368 1.00 0.00 N ATOM 649 CA GLY A 40 2.939 -21.345 -5.119 1.00 0.00 C ATOM 650 C GLY A 40 3.203 -22.833 -5.240 1.00 0.00 C ATOM 651 O GLY A 40 3.294 -23.366 -6.346 1.00 0.00 O ATOM 0 H GLY A 40 1.590 -21.638 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.856 -20.912 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.790 -20.867 -4.634 1.00 0.00 H new ATOM 655 N ILE A 41 3.327 -23.504 -4.100 1.00 0.00 N ATOM 656 CA ILE A 41 3.583 -24.939 -4.084 1.00 0.00 C ATOM 657 C ILE A 41 2.640 -25.654 -3.122 1.00 0.00 C ATOM 658 O ILE A 41 2.275 -25.113 -2.078 1.00 0.00 O ATOM 659 CB ILE A 41 5.038 -25.248 -3.684 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.830 -25.739 -4.897 1.00 0.00 C ATOM 661 CG2 ILE A 41 5.072 -26.282 -2.568 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.330 -27.053 -5.454 1.00 0.00 C ATOM 0 H ILE A 41 3.254 -23.078 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 41 3.409 -25.302 -5.097 1.00 0.00 H new ATOM 0 HB ILE A 41 5.501 -24.332 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.786 -24.982 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.878 -25.848 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.107 -26.490 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.539 -25.897 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.595 -27.201 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.938 -27.340 -6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.400 -27.824 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.291 -26.944 -5.766 1.00 0.00 H new ATOM 674 N ARG A 42 2.252 -26.874 -3.479 1.00 0.00 N ATOM 675 CA ARG A 42 1.352 -27.664 -2.647 1.00 0.00 C ATOM 676 C ARG A 42 2.139 -28.554 -1.689 1.00 0.00 C ATOM 677 O ARG A 42 3.140 -29.163 -2.070 1.00 0.00 O ATOM 678 CB ARG A 42 0.436 -28.522 -3.521 1.00 0.00 C ATOM 679 CG ARG A 42 -0.801 -27.787 -4.011 1.00 0.00 C ATOM 680 CD ARG A 42 -1.964 -28.742 -4.235 1.00 0.00 C ATOM 681 NE ARG A 42 -3.137 -28.058 -4.774 1.00 0.00 N ATOM 682 CZ ARG A 42 -4.179 -28.692 -5.301 1.00 0.00 C ATOM 683 NH1 ARG A 42 -4.193 -30.016 -5.359 1.00 0.00 N ATOM 684 NH2 ARG A 42 -5.209 -28.000 -5.770 1.00 0.00 N ATOM 0 H ARG A 42 2.547 -27.337 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 42 0.743 -26.977 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.000 -28.880 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.126 -29.400 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.087 -27.028 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.572 -27.266 -4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.658 -29.532 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.226 -29.222 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.157 -27.039 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.403 -30.551 -4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.994 -30.500 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.201 -26.981 -5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.009 -28.487 -6.175 1.00 0.00 H new ATOM 1035 N HIS A 66 -0.021 -26.512 -9.697 1.00 0.00 N ATOM 1036 CA HIS A 66 0.844 -26.366 -8.532 1.00 0.00 C ATOM 1037 C HIS A 66 1.400 -27.717 -8.094 1.00 0.00 C ATOM 1038 O HIS A 66 2.424 -27.787 -7.413 1.00 0.00 O ATOM 1039 CB HIS A 66 0.076 -25.720 -7.378 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.388 -24.326 -7.674 1.00 0.00 C ATOM 1041 ND1 HIS A 66 0.063 -23.221 -6.983 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.266 -23.862 -8.593 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.520 -22.137 -7.463 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.331 -22.498 -8.441 1.00 0.00 N ATOM 0 HA HIS A 66 1.679 -25.722 -8.809 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.788 -26.338 -7.136 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.713 -25.702 -6.493 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.741 -23.238 -6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.814 -24.453 -9.312 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.361 -21.127 -7.115 1.00 0.00 H new ATOM 1052 N ILE A 67 0.719 -28.788 -8.489 1.00 0.00 N ATOM 1053 CA ILE A 67 1.146 -30.136 -8.138 1.00 0.00 C ATOM 1054 C ILE A 67 2.593 -30.380 -8.551 1.00 0.00 C ATOM 1055 O ILE A 67 3.372 -30.977 -7.807 1.00 0.00 O ATOM 1056 CB ILE A 67 0.249 -31.200 -8.798 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.216 -30.760 -8.757 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.423 -32.544 -8.105 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.698 -30.390 -7.372 1.00 0.00 C ATOM 0 H ILE A 67 -0.130 -28.748 -9.052 1.00 0.00 H new ATOM 0 HA ILE A 67 1.061 -30.222 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 67 0.548 -31.309 -9.841 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.349 -29.905 -9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.839 -31.565 -9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.217 -33.285 -8.583 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.463 -32.860 -8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.148 -32.450 -7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.744 -30.088 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.598 -31.250 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.099 -29.564 -6.987 1.00 0.00 H new ATOM 1071 N THR A 68 2.949 -29.913 -9.744 1.00 0.00 N ATOM 1072 CA THR A 68 4.303 -30.079 -10.257 1.00 0.00 C ATOM 1073 C THR A 68 5.165 -28.863 -9.939 1.00 0.00 C ATOM 1074 O THR A 68 6.349 -28.824 -10.272 1.00 0.00 O ATOM 1075 CB THR A 68 4.302 -30.309 -11.780 1.00 0.00 C ATOM 1076 OG1 THR A 68 3.927 -29.104 -12.457 1.00 0.00 O ATOM 1077 CG2 THR A 68 3.344 -31.428 -12.158 1.00 0.00 C ATOM 0 H THR A 68 2.318 -29.417 -10.373 1.00 0.00 H new ATOM 0 HA THR A 68 4.722 -30.956 -9.764 1.00 0.00 H new ATOM 0 HB THR A 68 5.309 -30.597 -12.082 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.353 -28.566 -11.873 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.361 -31.572 -13.238 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.649 -32.351 -11.664 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.334 -31.165 -11.843 1.00 0.00 H new ATOM 1085 N GLY A 69 4.563 -27.870 -9.290 1.00 0.00 N ATOM 1086 CA GLY A 69 5.292 -26.666 -8.937 1.00 0.00 C ATOM 1087 C GLY A 69 5.764 -25.895 -10.154 1.00 0.00 C ATOM 1088 O GLY A 69 6.676 -25.074 -10.062 1.00 0.00 O ATOM 0 H GLY A 69 3.584 -27.878 -9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.654 -26.024 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.153 -26.933 -8.324 1.00 0.00 H new ATOM 1092 N ASP A 70 5.143 -26.162 -11.298 1.00 0.00 N ATOM 1093 CA ASP A 70 5.505 -25.488 -12.539 1.00 0.00 C ATOM 1094 C ASP A 70 4.576 -24.308 -12.808 1.00 0.00 C ATOM 1095 O ASP A 70 4.435 -23.863 -13.947 1.00 0.00 O ATOM 1096 CB ASP A 70 5.454 -26.469 -13.711 1.00 0.00 C ATOM 1097 CG ASP A 70 4.047 -26.665 -14.242 1.00 0.00 C ATOM 1098 OD1 ASP A 70 3.116 -26.792 -13.420 1.00 0.00 O ATOM 1099 OD2 ASP A 70 3.878 -26.692 -15.479 1.00 0.00 O ATOM 0 H ASP A 70 4.387 -26.840 -11.391 1.00 0.00 H new ATOM 0 HA ASP A 70 6.522 -25.111 -12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.095 -26.105 -14.514 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.857 -27.431 -13.394 1.00 0.00 H new ATOM 1104 N ALA A 71 3.945 -23.806 -11.752 1.00 0.00 N ATOM 1105 CA ALA A 71 3.031 -22.677 -11.873 1.00 0.00 C ATOM 1106 C ALA A 71 2.689 -22.098 -10.504 1.00 0.00 C ATOM 1107 O ALA A 71 2.881 -22.750 -9.478 1.00 0.00 O ATOM 1108 CB ALA A 71 1.763 -23.100 -12.601 1.00 0.00 C ATOM 0 H ALA A 71 4.050 -24.164 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 71 3.528 -21.900 -12.453 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.089 -22.247 -12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.018 -23.459 -13.598 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.272 -23.897 -12.043 1.00 0.00 H new ATOM 1114 N ILE A 72 2.181 -20.870 -10.497 1.00 0.00 N ATOM 1115 CA ILE A 72 1.812 -20.204 -9.254 1.00 0.00 C ATOM 1116 C ILE A 72 0.671 -19.217 -9.477 1.00 0.00 C ATOM 1117 O ILE A 72 0.454 -18.745 -10.593 1.00 0.00 O ATOM 1118 CB ILE A 72 3.010 -19.457 -8.638 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.510 -18.374 -9.596 1.00 0.00 C ATOM 1120 CG2 ILE A 72 4.127 -20.433 -8.303 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.827 -17.038 -9.408 1.00 0.00 C ATOM 0 H ILE A 72 2.016 -20.317 -11.338 1.00 0.00 H new ATOM 0 HA ILE A 72 1.486 -20.982 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 72 2.685 -18.977 -7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.584 -18.246 -9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.358 -18.709 -10.622 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.966 -19.890 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.763 -21.171 -7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.453 -20.939 -9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.232 -16.319 -10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.756 -17.150 -9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.001 -16.680 -8.393 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.053 -18.907 -8.407 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.170 -17.973 -8.485 1.00 0.00 C ATOM 1135 C ASP A 73 -0.861 -16.691 -7.717 1.00 0.00 C ATOM 1136 O ASP A 73 -0.195 -16.720 -6.682 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.442 -18.618 -7.932 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.700 -17.923 -8.414 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -3.834 -16.705 -8.174 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.552 -18.598 -9.031 1.00 0.00 O ATOM 0 H ASP A 73 0.114 -19.289 -7.476 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.326 -17.719 -9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.473 -19.666 -8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.413 -18.596 -6.843 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.348 -15.567 -8.232 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.122 -14.274 -7.597 1.00 0.00 C ATOM 1147 C PHE A 74 -2.333 -13.363 -7.771 1.00 0.00 C ATOM 1148 O PHE A 74 -3.287 -13.707 -8.469 1.00 0.00 O ATOM 1149 CB PHE A 74 0.123 -13.604 -8.183 1.00 0.00 C ATOM 1150 CG PHE A 74 -0.126 -12.926 -9.500 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.530 -11.602 -9.547 1.00 0.00 C ATOM 1152 CD2 PHE A 74 0.044 -13.613 -10.691 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.760 -10.976 -10.758 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.184 -12.993 -11.905 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.586 -11.672 -11.938 1.00 0.00 C ATOM 0 H PHE A 74 -1.902 -15.525 -9.088 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.967 -14.443 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.500 -12.870 -7.471 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.903 -14.354 -8.311 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.667 -11.053 -8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.359 -14.646 -10.671 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.076 -9.943 -10.781 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.048 -13.540 -12.826 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.764 -11.184 -12.885 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.288 -12.199 -7.131 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.380 -11.238 -7.215 1.00 0.00 C ATOM 1167 C ALA A 75 -2.853 -9.827 -7.456 1.00 0.00 C ATOM 1168 O ALA A 75 -1.912 -9.372 -6.806 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.220 -11.281 -5.948 1.00 0.00 C ATOM 0 H ALA A 75 -1.506 -11.899 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.008 -11.512 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.032 -10.558 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.635 -12.281 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.596 -11.035 -5.089 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.471 -9.118 -8.412 1.00 0.00 N ATOM 1176 CA PRO A 76 -3.080 -7.749 -8.760 1.00 0.00 C ATOM 1177 C PRO A 76 -3.425 -6.751 -7.660 1.00 0.00 C ATOM 1178 O PRO A 76 -4.596 -6.529 -7.353 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.896 -7.457 -10.021 1.00 0.00 C ATOM 1180 CG PRO A 76 -5.080 -8.356 -9.923 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.600 -9.599 -9.226 1.00 0.00 C ATOM 0 HA PRO A 76 -2.003 -7.656 -8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.196 -6.410 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.318 -7.660 -10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.885 -7.881 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.475 -8.591 -10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.382 -10.041 -8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.286 -10.363 -9.937 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.397 -6.151 -7.069 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.591 -5.177 -6.001 1.00 0.00 C ATOM 1191 C TYR A 77 -2.625 -3.757 -6.558 1.00 0.00 C ATOM 1192 O TYR A 77 -1.726 -3.344 -7.291 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.477 -5.302 -4.960 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.985 -5.403 -3.540 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.428 -6.614 -3.024 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -2.021 -4.286 -2.713 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.893 -6.711 -1.727 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.483 -4.374 -1.414 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.919 -5.588 -0.926 1.00 0.00 C ATOM 1200 OH TYR A 77 -3.380 -5.680 0.367 1.00 0.00 O ATOM 0 H TYR A 77 -1.421 -6.322 -7.312 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.549 -5.384 -5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.877 -6.184 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.817 -4.438 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.409 -7.495 -3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.682 -3.333 -3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.234 -7.661 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.503 -3.497 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.761 -6.225 0.897 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.669 -3.015 -6.205 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.821 -1.641 -6.668 1.00 0.00 C ATOM 1212 C ILE A 78 -4.496 -0.776 -5.609 1.00 0.00 C ATOM 1213 O ILE A 78 -5.403 -1.227 -4.911 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.640 -1.572 -7.970 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.881 -2.249 -9.113 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -4.958 -0.126 -8.320 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.214 -3.716 -9.275 1.00 0.00 C ATOM 0 H ILE A 78 -4.422 -3.342 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.818 -1.260 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.580 -2.103 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.104 -1.729 -10.045 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.810 -2.145 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.537 -0.094 -9.243 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.536 0.325 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.029 0.428 -8.455 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.639 -4.130 -10.103 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.964 -4.249 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.279 -3.827 -9.481 1.00 0.00 H new ATOM 1229 N ASN A 79 -4.048 0.470 -5.497 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.610 1.400 -4.524 1.00 0.00 C ATOM 1231 C ASN A 79 -4.422 0.879 -3.103 1.00 0.00 C ATOM 1232 O ASN A 79 -5.258 1.111 -2.230 1.00 0.00 O ATOM 1233 CB ASN A 79 -6.097 1.627 -4.804 1.00 0.00 C ATOM 1234 CG ASN A 79 -6.560 3.008 -4.384 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.865 3.713 -3.652 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -7.741 3.402 -4.847 1.00 0.00 N ATOM 0 H ASN A 79 -3.298 0.859 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.081 2.349 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.288 1.491 -5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.682 0.874 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.105 4.322 -4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.284 2.785 -5.451 1.00 0.00 H new ATOM 1243 N GLY A 80 -3.317 0.174 -2.877 1.00 0.00 N ATOM 1244 CA GLY A 80 -3.039 -0.368 -1.560 1.00 0.00 C ATOM 1245 C GLY A 80 -4.033 -1.437 -1.151 1.00 0.00 C ATOM 1246 O GLY A 80 -4.143 -1.776 0.027 1.00 0.00 O ATOM 0 H GLY A 80 -2.610 -0.031 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.033 -0.788 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.056 0.439 -0.827 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.762 -1.969 -2.127 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.754 -3.005 -1.863 1.00 0.00 C ATOM 1252 C LYS A 81 -5.845 -3.980 -3.033 1.00 0.00 C ATOM 1253 O LYS A 81 -5.399 -3.679 -4.141 1.00 0.00 O ATOM 1254 CB LYS A 81 -7.123 -2.375 -1.602 1.00 0.00 C ATOM 1255 CG LYS A 81 -7.542 -1.370 -2.662 1.00 0.00 C ATOM 1256 CD LYS A 81 -9.025 -1.049 -2.570 1.00 0.00 C ATOM 1257 CE LYS A 81 -9.538 -0.413 -3.853 1.00 0.00 C ATOM 1258 NZ LYS A 81 -9.984 -1.436 -4.839 1.00 0.00 N ATOM 0 H LYS A 81 -4.684 -1.700 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.441 -3.556 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.872 -3.165 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.107 -1.881 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.963 -0.454 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.315 -1.767 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.584 -1.962 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.201 -0.374 -1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.368 0.254 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.751 0.199 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.758 -1.048 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.188 -1.693 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.318 -2.282 -4.335 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.427 -5.148 -2.780 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.579 -6.164 -3.813 1.00 0.00 C ATOM 1274 C ILE A 82 -7.586 -5.727 -4.871 1.00 0.00 C ATOM 1275 O ILE A 82 -8.685 -5.276 -4.549 1.00 0.00 O ATOM 1276 CB ILE A 82 -7.031 -7.510 -3.216 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -6.245 -7.817 -1.940 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.855 -8.627 -4.234 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -7.068 -7.685 -0.677 1.00 0.00 C ATOM 0 H ILE A 82 -6.801 -5.413 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.601 -6.291 -4.277 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.088 -7.440 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.849 -8.831 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.390 -7.144 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.179 -9.572 -3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.455 -8.411 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.805 -8.699 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.447 -7.917 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.442 -6.665 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.909 -8.378 -0.716 1.00 0.00 H new ATOM 1291 N ASP A 83 -7.203 -5.864 -6.136 1.00 0.00 N ATOM 1292 CA ASP A 83 -8.074 -5.485 -7.243 1.00 0.00 C ATOM 1293 C ASP A 83 -8.576 -6.719 -7.986 1.00 0.00 C ATOM 1294 O ASP A 83 -7.990 -7.136 -8.985 1.00 0.00 O ATOM 1295 CB ASP A 83 -7.332 -4.560 -8.210 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.816 -3.125 -8.124 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.364 -2.746 -7.068 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.646 -2.382 -9.113 1.00 0.00 O ATOM 0 H ASP A 83 -6.296 -6.234 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.933 -4.955 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.264 -4.594 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.463 -4.924 -9.229 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.664 -7.299 -7.491 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.244 -8.486 -8.108 1.00 0.00 C ATOM 1305 C TRP A 84 -11.340 -8.105 -9.097 1.00 0.00 C ATOM 1306 O TRP A 84 -11.753 -8.918 -9.923 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.810 -9.418 -7.035 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.791 -10.359 -6.468 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.318 -10.379 -5.187 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.118 -11.414 -7.163 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.391 -11.384 -5.044 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.252 -12.034 -6.241 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.165 -11.898 -8.473 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.440 -13.110 -6.591 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.358 -12.965 -8.819 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.506 -13.562 -7.881 1.00 0.00 C ATOM 0 H TRP A 84 -10.162 -6.967 -6.665 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.455 -9.005 -8.651 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.229 -8.818 -6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.630 -9.996 -7.462 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.627 -9.705 -4.402 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.888 -11.609 -4.185 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.821 -11.446 -9.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.782 -13.571 -5.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.385 -13.345 -9.830 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.889 -14.396 -8.182 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.806 -6.864 -9.008 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.855 -6.376 -9.897 1.00 0.00 C ATOM 1329 C ASN A 85 -12.287 -5.404 -10.927 1.00 0.00 C ATOM 1330 O ASN A 85 -13.031 -4.782 -11.685 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.959 -5.692 -9.088 1.00 0.00 C ATOM 1332 CG ASN A 85 -15.294 -5.704 -9.807 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -15.911 -6.756 -9.976 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -15.747 -4.532 -10.235 1.00 0.00 N ATOM 0 H ASN A 85 -11.474 -6.178 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.277 -7.231 -10.425 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.063 -6.192 -8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -13.670 -4.662 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.640 -4.479 -10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.202 -3.685 -10.073 1.00 0.00 H new ATOM 1341 N ASP A 86 -10.964 -5.279 -10.947 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.296 -4.384 -11.885 1.00 0.00 C ATOM 1343 C ASP A 86 -9.373 -5.164 -12.816 1.00 0.00 C ATOM 1344 O ASP A 86 -8.154 -5.166 -12.641 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.497 -3.322 -11.128 1.00 0.00 C ATOM 1346 CG ASP A 86 -9.346 -2.038 -11.920 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -9.503 -2.083 -13.158 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -9.070 -0.988 -11.302 1.00 0.00 O ATOM 0 H ASP A 86 -10.334 -5.786 -10.325 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.060 -3.893 -12.487 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.992 -3.105 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.509 -3.716 -10.889 1.00 0.00 H new ATOM 1353 N LEU A 87 -9.962 -5.827 -13.805 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.193 -6.613 -14.765 1.00 0.00 C ATOM 1355 C LEU A 87 -8.312 -5.712 -15.624 1.00 0.00 C ATOM 1356 O LEU A 87 -7.322 -6.163 -16.199 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.132 -7.427 -15.656 1.00 0.00 C ATOM 1358 CG LEU A 87 -10.153 -8.936 -15.408 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -11.256 -9.595 -16.222 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -8.801 -9.550 -15.740 1.00 0.00 C ATOM 0 H LEU A 87 -10.970 -5.836 -13.964 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.550 -7.294 -14.208 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.144 -7.044 -15.528 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.855 -7.254 -16.696 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.357 -9.109 -14.351 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.256 -10.668 -16.033 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.220 -9.176 -15.934 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.083 -9.413 -17.283 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.835 -10.624 -15.558 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.566 -9.367 -16.789 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.033 -9.099 -15.112 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.678 -4.436 -15.704 1.00 0.00 N ATOM 1373 CA GLU A 88 -7.919 -3.473 -16.492 1.00 0.00 C ATOM 1374 C GLU A 88 -6.460 -3.435 -16.048 1.00 0.00 C ATOM 1375 O GLU A 88 -5.554 -3.722 -16.831 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.538 -2.078 -16.367 1.00 0.00 C ATOM 1377 CG GLU A 88 -7.957 -1.066 -17.340 1.00 0.00 C ATOM 1378 CD GLU A 88 -6.649 -0.473 -16.853 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -6.634 0.098 -15.743 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -5.641 -0.580 -17.583 1.00 0.00 O ATOM 0 H GLU A 88 -9.495 -4.046 -15.233 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.955 -3.787 -17.535 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.613 -2.151 -16.530 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.394 -1.715 -15.349 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.797 -1.546 -18.305 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.678 -0.264 -17.499 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.240 -3.079 -14.787 1.00 0.00 N ATOM 1388 CA ALA A 89 -4.892 -3.005 -14.237 1.00 0.00 C ATOM 1389 C ALA A 89 -4.173 -4.344 -14.367 1.00 0.00 C ATOM 1390 O ALA A 89 -2.943 -4.402 -14.362 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.939 -2.568 -12.781 1.00 0.00 C ATOM 0 H ALA A 89 -6.979 -2.837 -14.126 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.333 -2.264 -14.809 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.925 -2.517 -12.383 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.406 -1.586 -12.711 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.519 -3.288 -12.204 1.00 0.00 H new ATOM 1397 N PHE A 90 -4.947 -5.418 -14.481 1.00 0.00 N ATOM 1398 CA PHE A 90 -4.383 -6.756 -14.610 1.00 0.00 C ATOM 1399 C PHE A 90 -3.503 -6.859 -15.851 1.00 0.00 C ATOM 1400 O PHE A 90 -2.347 -7.275 -15.773 1.00 0.00 O ATOM 1401 CB PHE A 90 -5.501 -7.799 -14.676 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.095 -9.147 -14.153 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -3.962 -9.781 -14.637 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -5.846 -9.781 -13.176 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -3.586 -11.021 -14.158 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -5.475 -11.022 -12.692 1.00 0.00 C ATOM 1407 CZ PHE A 90 -4.343 -11.642 -13.183 1.00 0.00 C ATOM 0 H PHE A 90 -5.967 -5.388 -14.487 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.766 -6.949 -13.732 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.357 -7.439 -14.105 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.829 -7.903 -15.710 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.366 -9.300 -15.398 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.732 -9.300 -12.788 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.701 -11.505 -14.545 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.070 -11.506 -11.931 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.050 -12.611 -12.806 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.058 -6.477 -16.996 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.324 -6.526 -18.255 1.00 0.00 C ATOM 1419 C TRP A 91 -2.055 -5.683 -18.179 1.00 0.00 C ATOM 1420 O TRP A 91 -1.120 -5.881 -18.954 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.208 -6.038 -19.404 1.00 0.00 C ATOM 1422 CG TRP A 91 -3.700 -6.440 -20.756 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -3.323 -7.691 -21.151 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -3.513 -5.585 -21.889 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -2.913 -7.667 -22.462 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -3.021 -6.387 -22.938 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -3.715 -4.222 -22.121 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -2.727 -5.868 -24.196 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -3.424 -3.709 -23.371 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -2.935 -4.530 -24.396 1.00 0.00 C ATOM 0 H TRP A 91 -5.014 -6.130 -17.078 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.039 -7.562 -18.440 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.216 -6.432 -19.270 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.282 -4.951 -19.360 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -3.344 -8.571 -20.525 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -2.582 -8.472 -22.994 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -4.092 -3.581 -21.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.348 -6.499 -24.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.576 -2.657 -23.561 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.718 -4.099 -25.362 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.031 -4.743 -17.241 1.00 0.00 N ATOM 1442 CA ALA A 92 -0.876 -3.871 -17.063 1.00 0.00 C ATOM 1443 C ALA A 92 0.246 -4.591 -16.321 1.00 0.00 C ATOM 1444 O ALA A 92 1.412 -4.506 -16.705 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.278 -2.607 -16.318 1.00 0.00 C ATOM 0 H ALA A 92 -2.798 -4.565 -16.592 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.505 -3.595 -18.050 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.406 -1.966 -16.192 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.040 -2.076 -16.888 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.677 -2.873 -15.339 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.115 -5.298 -15.255 1.00 0.00 N ATOM 1452 CA VAL A 93 0.861 -6.033 -14.458 1.00 0.00 C ATOM 1453 C VAL A 93 1.241 -7.347 -15.131 1.00 0.00 C ATOM 1454 O VAL A 93 2.358 -7.839 -14.970 1.00 0.00 O ATOM 1455 CB VAL A 93 0.324 -6.328 -13.045 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -1.022 -7.033 -13.122 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.326 -7.159 -12.258 1.00 0.00 C ATOM 0 H VAL A 93 -1.076 -5.378 -14.923 1.00 0.00 H new ATOM 0 HA VAL A 93 1.745 -5.401 -14.377 1.00 0.00 H new ATOM 0 HB VAL A 93 0.182 -5.381 -12.524 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.386 -7.233 -12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.736 -6.398 -13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.910 -7.974 -13.661 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.931 -7.358 -11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.501 -8.103 -12.774 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.265 -6.612 -12.173 1.00 0.00 H new ATOM 1467 N LYS A 94 0.305 -7.911 -15.886 1.00 0.00 N ATOM 1468 CA LYS A 94 0.541 -9.168 -16.586 1.00 0.00 C ATOM 1469 C LYS A 94 1.693 -9.032 -17.577 1.00 0.00 C ATOM 1470 O LYS A 94 2.591 -9.873 -17.621 1.00 0.00 O ATOM 1471 CB LYS A 94 -0.726 -9.613 -17.320 1.00 0.00 C ATOM 1472 CG LYS A 94 -0.904 -11.121 -17.367 1.00 0.00 C ATOM 1473 CD LYS A 94 -1.823 -11.539 -18.503 1.00 0.00 C ATOM 1474 CE LYS A 94 -2.515 -12.860 -18.203 1.00 0.00 C ATOM 1475 NZ LYS A 94 -3.823 -12.658 -17.521 1.00 0.00 N ATOM 0 H LYS A 94 -0.625 -7.517 -16.029 1.00 0.00 H new ATOM 0 HA LYS A 94 0.809 -9.922 -15.845 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.593 -9.168 -16.832 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.700 -9.227 -18.339 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.068 -11.599 -17.489 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.314 -11.470 -16.419 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.572 -10.765 -18.670 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.247 -11.630 -19.424 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.671 -13.408 -19.132 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.869 -13.474 -17.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.294 -13.577 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.666 -12.219 -16.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.424 -12.037 -18.100 1.00 0.00 H new ATOM 1489 N LYS A 95 1.663 -7.966 -18.369 1.00 0.00 N ATOM 1490 CA LYS A 95 2.705 -7.716 -19.358 1.00 0.00 C ATOM 1491 C LYS A 95 4.087 -7.751 -18.712 1.00 0.00 C ATOM 1492 O LYS A 95 5.078 -8.082 -19.361 1.00 0.00 O ATOM 1493 CB LYS A 95 2.481 -6.363 -20.035 1.00 0.00 C ATOM 1494 CG LYS A 95 3.174 -6.234 -21.381 1.00 0.00 C ATOM 1495 CD LYS A 95 2.556 -5.131 -22.223 1.00 0.00 C ATOM 1496 CE LYS A 95 3.121 -3.767 -21.856 1.00 0.00 C ATOM 1497 NZ LYS A 95 4.533 -3.613 -22.304 1.00 0.00 N ATOM 0 H LYS A 95 0.927 -7.260 -18.345 1.00 0.00 H new ATOM 0 HA LYS A 95 2.654 -8.504 -20.110 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.411 -6.207 -20.170 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.838 -5.572 -19.375 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.233 -6.026 -21.228 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.110 -7.181 -21.917 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.741 -5.331 -23.279 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.475 -5.128 -22.084 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.509 -2.987 -22.309 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.065 -3.629 -20.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.779 -2.603 -22.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.164 -4.103 -21.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.643 -4.025 -23.252 1.00 0.00 H new ATOM 1511 N ALA A 96 4.144 -7.408 -17.429 1.00 0.00 N ATOM 1512 CA ALA A 96 5.403 -7.403 -16.695 1.00 0.00 C ATOM 1513 C ALA A 96 5.921 -8.822 -16.485 1.00 0.00 C ATOM 1514 O ALA A 96 7.128 -9.062 -16.508 1.00 0.00 O ATOM 1515 CB ALA A 96 5.232 -6.698 -15.357 1.00 0.00 C ATOM 0 H ALA A 96 3.333 -7.130 -16.877 1.00 0.00 H new ATOM 0 HA ALA A 96 6.138 -6.859 -17.288 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.180 -6.702 -14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.915 -5.669 -15.526 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.478 -7.218 -14.766 1.00 0.00 H new ATOM 1521 N PHE A 97 5.001 -9.758 -16.279 1.00 0.00 N ATOM 1522 CA PHE A 97 5.365 -11.154 -16.063 1.00 0.00 C ATOM 1523 C PHE A 97 6.008 -11.748 -17.312 1.00 0.00 C ATOM 1524 O PHE A 97 7.109 -12.295 -17.256 1.00 0.00 O ATOM 1525 CB PHE A 97 4.131 -11.970 -15.673 1.00 0.00 C ATOM 1526 CG PHE A 97 3.988 -12.169 -14.191 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.449 -11.172 -13.394 1.00 0.00 C ATOM 1528 CD2 PHE A 97 4.393 -13.353 -13.595 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.315 -11.352 -12.030 1.00 0.00 C ATOM 1530 CE2 PHE A 97 4.261 -13.538 -12.232 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.723 -12.536 -11.448 1.00 0.00 C ATOM 0 H PHE A 97 3.998 -9.576 -16.257 1.00 0.00 H new ATOM 0 HA PHE A 97 6.090 -11.193 -15.250 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.240 -11.470 -16.052 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.181 -12.944 -16.159 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.130 -10.243 -13.844 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.816 -14.139 -14.202 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.892 -10.568 -11.420 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.578 -14.466 -11.780 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.622 -12.678 -10.382 1.00 0.00 H new ATOM 1541 N GLU A 98 5.312 -11.636 -18.439 1.00 0.00 N ATOM 1542 CA GLU A 98 5.814 -12.164 -19.702 1.00 0.00 C ATOM 1543 C GLU A 98 7.068 -11.414 -20.145 1.00 0.00 C ATOM 1544 O GLU A 98 7.954 -11.987 -20.777 1.00 0.00 O ATOM 1545 CB GLU A 98 4.738 -12.064 -20.786 1.00 0.00 C ATOM 1546 CG GLU A 98 4.103 -10.688 -20.889 1.00 0.00 C ATOM 1547 CD GLU A 98 3.548 -10.403 -22.271 1.00 0.00 C ATOM 1548 OE1 GLU A 98 4.190 -10.806 -23.263 1.00 0.00 O ATOM 1549 OE2 GLU A 98 2.471 -9.778 -22.360 1.00 0.00 O ATOM 0 H GLU A 98 4.400 -11.185 -18.503 1.00 0.00 H new ATOM 0 HA GLU A 98 6.072 -13.212 -19.551 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.179 -12.324 -21.748 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.960 -12.800 -20.582 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.301 -10.607 -20.156 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.844 -9.930 -20.636 1.00 0.00 H new ATOM 1556 N GLN A 99 7.132 -10.130 -19.808 1.00 0.00 N ATOM 1557 CA GLN A 99 8.276 -9.302 -20.171 1.00 0.00 C ATOM 1558 C GLN A 99 9.474 -9.607 -19.279 1.00 0.00 C ATOM 1559 O GLN A 99 10.623 -9.483 -19.703 1.00 0.00 O ATOM 1560 CB GLN A 99 7.912 -7.820 -20.068 1.00 0.00 C ATOM 1561 CG GLN A 99 7.119 -7.303 -21.257 1.00 0.00 C ATOM 1562 CD GLN A 99 8.007 -6.874 -22.408 1.00 0.00 C ATOM 1563 OE1 GLN A 99 9.109 -7.394 -22.585 1.00 0.00 O ATOM 1564 NE2 GLN A 99 7.531 -5.920 -23.200 1.00 0.00 N ATOM 0 H GLN A 99 6.406 -9.641 -19.285 1.00 0.00 H new ATOM 0 HA GLN A 99 8.547 -9.532 -21.202 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.333 -7.659 -19.159 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.827 -7.236 -19.971 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.437 -8.081 -21.600 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.507 -6.458 -20.941 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.612 -5.516 -23.017 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.084 -5.591 -23.991 1.00 0.00 H new ATOM 1573 N ALA A 100 9.198 -10.006 -18.042 1.00 0.00 N ATOM 1574 CA ALA A 100 10.254 -10.330 -17.090 1.00 0.00 C ATOM 1575 C ALA A 100 10.886 -11.680 -17.411 1.00 0.00 C ATOM 1576 O ALA A 100 12.065 -11.905 -17.140 1.00 0.00 O ATOM 1577 CB ALA A 100 9.705 -10.326 -15.671 1.00 0.00 C ATOM 0 H ALA A 100 8.252 -10.113 -17.675 1.00 0.00 H new ATOM 0 HA ALA A 100 11.028 -9.567 -17.170 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.504 -10.569 -14.971 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.307 -9.339 -15.438 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.910 -11.067 -15.586 1.00 0.00 H new ATOM 1583 N GLY A 101 10.094 -12.577 -17.990 1.00 0.00 N ATOM 1584 CA GLY A 101 10.594 -13.895 -18.337 1.00 0.00 C ATOM 1585 C GLY A 101 11.559 -13.859 -19.506 1.00 0.00 C ATOM 1586 O GLY A 101 12.494 -14.656 -19.574 1.00 0.00 O ATOM 0 H GLY A 101 9.115 -12.415 -18.225 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.093 -14.331 -17.471 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.755 -14.546 -18.582 1.00 0.00 H new ATOM 1590 N LYS A 102 11.331 -12.932 -20.431 1.00 0.00 N ATOM 1591 CA LYS A 102 12.186 -12.795 -21.604 1.00 0.00 C ATOM 1592 C LYS A 102 13.533 -12.187 -21.227 1.00 0.00 C ATOM 1593 O LYS A 102 14.564 -12.535 -21.801 1.00 0.00 O ATOM 1594 CB LYS A 102 11.501 -11.926 -22.661 1.00 0.00 C ATOM 1595 CG LYS A 102 11.865 -10.455 -22.569 1.00 0.00 C ATOM 1596 CD LYS A 102 10.942 -9.598 -23.419 1.00 0.00 C ATOM 1597 CE LYS A 102 11.083 -9.924 -24.898 1.00 0.00 C ATOM 1598 NZ LYS A 102 10.632 -8.796 -25.760 1.00 0.00 N ATOM 0 H LYS A 102 10.561 -12.264 -20.391 1.00 0.00 H new ATOM 0 HA LYS A 102 12.358 -13.790 -22.015 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.767 -12.296 -23.651 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.421 -12.031 -22.561 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.810 -10.130 -21.530 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.896 -10.313 -22.894 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.909 -9.755 -23.108 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.168 -8.544 -23.254 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.124 -10.158 -25.121 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.500 -10.815 -25.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.744 -9.057 -26.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.631 -8.589 -25.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.205 -7.953 -25.556 1.00 0.00 H new ATOM 1612 N GLU A 103 13.517 -11.277 -20.257 1.00 0.00 N ATOM 1613 CA GLU A 103 14.738 -10.622 -19.804 1.00 0.00 C ATOM 1614 C GLU A 103 15.484 -11.497 -18.800 1.00 0.00 C ATOM 1615 O GLU A 103 16.712 -11.589 -18.832 1.00 0.00 O ATOM 1616 CB GLU A 103 14.412 -9.267 -19.173 1.00 0.00 C ATOM 1617 CG GLU A 103 13.495 -9.363 -17.965 1.00 0.00 C ATOM 1618 CD GLU A 103 13.009 -8.006 -17.493 1.00 0.00 C ATOM 1619 OE1 GLU A 103 11.989 -7.522 -18.026 1.00 0.00 O ATOM 1620 OE2 GLU A 103 13.649 -7.429 -16.589 1.00 0.00 O ATOM 0 H GLU A 103 12.672 -10.977 -19.771 1.00 0.00 H new ATOM 0 HA GLU A 103 15.380 -10.466 -20.671 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.341 -8.781 -18.875 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.945 -8.629 -19.923 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.636 -9.986 -18.214 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.023 -9.859 -17.151 1.00 0.00 H new ATOM 1627 N LEU A 104 14.734 -12.136 -17.910 1.00 0.00 N ATOM 1628 CA LEU A 104 15.323 -13.004 -16.896 1.00 0.00 C ATOM 1629 C LEU A 104 15.630 -14.383 -17.470 1.00 0.00 C ATOM 1630 O LEU A 104 16.359 -15.170 -16.867 1.00 0.00 O ATOM 1631 CB LEU A 104 14.380 -13.136 -15.699 1.00 0.00 C ATOM 1632 CG LEU A 104 14.189 -11.876 -14.853 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.761 -11.791 -14.338 1.00 0.00 C ATOM 1634 CD2 LEU A 104 15.177 -11.856 -13.696 1.00 0.00 C ATOM 0 H LEU A 104 13.717 -12.070 -17.869 1.00 0.00 H new ATOM 0 HA LEU A 104 16.258 -12.552 -16.566 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.404 -13.456 -16.064 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.754 -13.930 -15.053 1.00 0.00 H new ATOM 0 HG LEU A 104 14.379 -11.006 -15.482 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.644 -10.888 -13.738 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.071 -11.758 -15.181 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.543 -12.665 -13.725 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.027 -10.953 -13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.018 -12.732 -13.067 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.195 -11.869 -14.086 1.00 0.00 H new ATOM 1646 N GLY A 105 15.070 -14.669 -18.642 1.00 0.00 N ATOM 1647 CA GLY A 105 15.297 -15.953 -19.279 1.00 0.00 C ATOM 1648 C GLY A 105 14.452 -17.057 -18.676 1.00 0.00 C ATOM 1649 O GLY A 105 14.526 -18.209 -19.106 1.00 0.00 O ATOM 0 H GLY A 105 14.463 -14.034 -19.161 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.076 -15.871 -20.343 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.351 -16.217 -19.191 1.00 0.00 H new ATOM 1653 N ILE A 106 13.648 -16.707 -17.678 1.00 0.00 N ATOM 1654 CA ILE A 106 12.786 -17.678 -17.015 1.00 0.00 C ATOM 1655 C ILE A 106 11.466 -17.842 -17.762 1.00 0.00 C ATOM 1656 O ILE A 106 10.816 -16.859 -18.120 1.00 0.00 O ATOM 1657 CB ILE A 106 12.492 -17.268 -15.560 1.00 0.00 C ATOM 1658 CG1 ILE A 106 13.687 -17.598 -14.663 1.00 0.00 C ATOM 1659 CG2 ILE A 106 11.237 -17.966 -15.057 1.00 0.00 C ATOM 1660 CD1 ILE A 106 14.652 -16.445 -14.496 1.00 0.00 C ATOM 0 H ILE A 106 13.575 -15.758 -17.311 1.00 0.00 H new ATOM 0 HA ILE A 106 13.321 -18.628 -17.015 1.00 0.00 H new ATOM 0 HB ILE A 106 12.324 -16.192 -15.528 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.322 -17.901 -13.682 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.221 -18.451 -15.082 1.00 0.00 H new ATOM 0 HG21 ILE A 106 11.042 -17.666 -14.027 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.390 -17.687 -15.683 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.379 -19.046 -15.100 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.474 -16.750 -13.848 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.046 -16.156 -15.470 1.00 0.00 H new ATOM 0 HD13 ILE A 106 14.132 -15.598 -14.049 1.00 0.00 H new ATOM 1672 N LYS A 107 11.075 -19.090 -17.993 1.00 0.00 N ATOM 1673 CA LYS A 107 9.831 -19.385 -18.695 1.00 0.00 C ATOM 1674 C LYS A 107 8.640 -18.763 -17.974 1.00 0.00 C ATOM 1675 O LYS A 107 8.577 -18.759 -16.744 1.00 0.00 O ATOM 1676 CB LYS A 107 9.635 -20.898 -18.814 1.00 0.00 C ATOM 1677 CG LYS A 107 10.091 -21.467 -20.146 1.00 0.00 C ATOM 1678 CD LYS A 107 11.581 -21.764 -20.146 1.00 0.00 C ATOM 1679 CE LYS A 107 12.383 -20.594 -20.694 1.00 0.00 C ATOM 1680 NZ LYS A 107 12.700 -20.767 -22.138 1.00 0.00 N ATOM 0 H LYS A 107 11.602 -19.914 -17.704 1.00 0.00 H new ATOM 0 HA LYS A 107 9.895 -18.954 -19.694 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.183 -21.391 -18.011 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.580 -21.132 -18.671 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.537 -22.381 -20.361 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.860 -20.760 -20.943 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.909 -21.987 -19.131 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.776 -22.653 -20.746 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.821 -19.671 -20.554 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.309 -20.492 -20.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.247 -19.949 -22.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.258 -21.635 -22.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.816 -20.839 -22.681 1.00 0.00 H new ATOM 1694 N LEU A 108 7.695 -18.238 -18.747 1.00 0.00 N ATOM 1695 CA LEU A 108 6.504 -17.613 -18.182 1.00 0.00 C ATOM 1696 C LEU A 108 5.468 -17.335 -19.267 1.00 0.00 C ATOM 1697 O LEU A 108 5.768 -16.695 -20.276 1.00 0.00 O ATOM 1698 CB LEU A 108 6.875 -16.312 -17.470 1.00 0.00 C ATOM 1699 CG LEU A 108 5.945 -15.879 -16.336 1.00 0.00 C ATOM 1700 CD1 LEU A 108 4.506 -15.808 -16.823 1.00 0.00 C ATOM 1701 CD2 LEU A 108 6.064 -16.831 -15.155 1.00 0.00 C ATOM 0 H LEU A 108 7.731 -18.233 -19.766 1.00 0.00 H new ATOM 0 HA LEU A 108 6.070 -18.304 -17.459 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.882 -16.416 -17.067 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.909 -15.513 -18.210 1.00 0.00 H new ATOM 0 HG LEU A 108 6.245 -14.884 -16.006 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.859 -15.498 -16.002 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.432 -15.085 -17.636 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.194 -16.789 -17.180 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.395 -16.507 -14.358 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.791 -17.838 -15.471 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.091 -16.831 -14.790 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.238 -17.062 -13.559 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.339 -18.144 -13.174 1.00 0.00 C ATOM 2064 C HIS A 133 -1.186 -18.272 -14.166 1.00 0.00 C ATOM 2065 O HIS A 133 -1.403 -18.456 -15.364 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.104 -19.466 -13.090 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.264 -20.615 -12.623 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.463 -20.556 -11.503 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.106 -21.859 -13.132 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -0.847 -21.713 -11.343 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.220 -22.522 -12.318 1.00 0.00 N ATOM 0 HA HIS A 133 -1.927 -17.908 -12.193 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -3.949 -19.345 -12.412 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.514 -19.702 -14.072 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.362 -19.745 -10.893 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -2.587 -22.256 -14.014 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.156 -21.956 -10.550 1.00 0.00 H new ATOM 2079 N VAL A 134 0.038 -18.173 -13.659 1.00 0.00 N ATOM 2080 CA VAL A 134 1.225 -18.278 -14.500 1.00 0.00 C ATOM 2081 C VAL A 134 1.876 -19.649 -14.364 1.00 0.00 C ATOM 2082 O VAL A 134 2.053 -20.155 -13.256 1.00 0.00 O ATOM 2083 CB VAL A 134 2.260 -17.193 -14.147 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.627 -15.811 -14.206 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.860 -17.456 -12.775 1.00 0.00 C ATOM 0 H VAL A 134 0.234 -18.020 -12.670 1.00 0.00 H new ATOM 0 HA VAL A 134 0.897 -18.136 -15.530 1.00 0.00 H new ATOM 0 HB VAL A 134 3.064 -17.229 -14.882 1.00 0.00 H new ATOM 0 HG11 VAL A 134 2.373 -15.058 -13.954 1.00 0.00 H new ATOM 0 HG12 VAL A 134 1.250 -15.626 -15.212 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.803 -15.758 -13.495 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.589 -16.680 -12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 134 2.069 -17.448 -12.025 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.352 -18.428 -12.774 1.00 0.00 H new ATOM 2095 N GLU A 135 2.230 -20.246 -15.498 1.00 0.00 N ATOM 2096 CA GLU A 135 2.861 -21.560 -15.505 1.00 0.00 C ATOM 2097 C GLU A 135 4.023 -21.600 -16.493 1.00 0.00 C ATOM 2098 O GLU A 135 4.092 -20.794 -17.421 1.00 0.00 O ATOM 2099 CB GLU A 135 1.837 -22.640 -15.861 1.00 0.00 C ATOM 2100 CG GLU A 135 1.071 -22.355 -17.141 1.00 0.00 C ATOM 2101 CD GLU A 135 1.902 -22.600 -18.386 1.00 0.00 C ATOM 2102 OE1 GLU A 135 2.221 -23.775 -18.665 1.00 0.00 O ATOM 2103 OE2 GLU A 135 2.235 -21.617 -19.080 1.00 0.00 O ATOM 0 H GLU A 135 2.090 -19.840 -16.423 1.00 0.00 H new ATOM 0 HA GLU A 135 3.250 -21.754 -14.505 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.350 -23.597 -15.960 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.129 -22.742 -15.039 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.180 -22.982 -17.174 1.00 0.00 H new ATOM 0 HG3 GLU A 135 0.731 -21.319 -17.134 1.00 0.00 H new ATOM 2110 N LEU A 136 4.935 -22.544 -16.285 1.00 0.00 N ATOM 2111 CA LEU A 136 6.096 -22.690 -17.157 1.00 0.00 C ATOM 2112 C LEU A 136 5.686 -23.221 -18.526 1.00 0.00 C ATOM 2113 O LEU A 136 4.801 -24.070 -18.635 1.00 0.00 O ATOM 2114 CB LEU A 136 7.122 -23.629 -16.519 1.00 0.00 C ATOM 2115 CG LEU A 136 8.070 -22.995 -15.501 1.00 0.00 C ATOM 2116 CD1 LEU A 136 7.405 -22.905 -14.136 1.00 0.00 C ATOM 2117 CD2 LEU A 136 9.366 -23.788 -15.413 1.00 0.00 C ATOM 0 H LEU A 136 4.893 -23.219 -15.521 1.00 0.00 H new ATOM 0 HA LEU A 136 6.546 -21.706 -17.290 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.586 -24.442 -16.029 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.720 -24.075 -17.314 1.00 0.00 H new ATOM 0 HG LEU A 136 8.307 -21.985 -15.834 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.095 -22.451 -13.424 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.505 -22.294 -14.209 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.138 -23.905 -13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.029 -23.322 -14.684 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.147 -24.810 -15.104 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.852 -23.801 -16.389 1.00 0.00 H new ATOM 2129 N VAL A 137 6.336 -22.717 -19.570 1.00 0.00 N ATOM 2130 CA VAL A 137 6.041 -23.143 -20.933 1.00 0.00 C ATOM 2131 C VAL A 137 7.295 -23.657 -21.631 1.00 0.00 C ATOM 2132 O VAL A 137 7.183 -24.296 -22.677 1.00 0.00 O ATOM 2133 CB VAL A 137 5.440 -21.993 -21.763 1.00 0.00 C ATOM 2134 CG1 VAL A 137 3.985 -21.763 -21.382 1.00 0.00 C ATOM 2135 CG2 VAL A 137 6.255 -20.722 -21.580 1.00 0.00 C ATOM 0 H VAL A 137 7.071 -22.013 -19.498 1.00 0.00 H new ATOM 0 HA VAL A 137 5.311 -23.950 -20.862 1.00 0.00 H new ATOM 0 HB VAL A 137 5.475 -22.271 -22.816 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.577 -20.947 -21.979 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.412 -22.671 -21.569 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.922 -21.506 -20.325 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.816 -19.920 -22.173 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.254 -20.437 -20.528 1.00 0.00 H new ATOM 0 HG23 VAL A 137 7.280 -20.897 -21.907 1.00 0.00 H new