USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.302 K(o=1.5,f=-14!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 149:sc= 0.547 (180deg=-0.095) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0.505 USER MOD Set 3.1: A 8 SER OG : rot -30:sc= 2.37 USER MOD Set 3.2: A 81 SER OG : rot -79:sc= 1.11 USER MOD Set 4.1: A 5 HIS : no HE2:sc= 0.984 K(o=1.1,f=-6.1!) USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0.0853 USER MOD Single : A 11 THR OG1 : rot -85:sc= 0.0193 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.814) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 150:sc= 0.796 USER MOD Single : A 34 ASN : amide:sc= 0.589 K(o=0.59,f=-5.7!) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc=-0.00184 (180deg=-0.0614) USER MOD Single : A 44 THR OG1 : rot -147:sc= -1.81! USER MOD Single : A 46 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-7.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 0:sc= 1.18 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.672 USER MOD Single : A 69 LYS NZ :NH3+ -122:sc= 1.06 (180deg=-0.109) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 1.19 (180deg=1.04) USER MOD Single : A 84 LYS NZ :NH3+ -155:sc= 0.244 (180deg=0.0752) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.265 11.708 -3.806 1.00 0.00 N ATOM 36 CA LYS A 4 7.926 12.157 -3.544 1.00 0.00 C ATOM 37 C LYS A 4 7.879 12.902 -2.224 1.00 0.00 C ATOM 38 O LYS A 4 8.777 12.749 -1.401 1.00 0.00 O ATOM 39 CB LYS A 4 6.966 10.952 -3.528 1.00 0.00 C ATOM 40 CG LYS A 4 7.496 9.682 -2.877 1.00 0.00 C ATOM 41 CD LYS A 4 7.642 9.765 -1.374 1.00 0.00 C ATOM 42 CE LYS A 4 7.895 8.394 -0.767 1.00 0.00 C ATOM 43 NZ LYS A 4 9.004 7.653 -1.416 1.00 0.00 N ATOM 0 HA LYS A 4 7.612 12.839 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.053 11.247 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.689 10.720 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.826 8.857 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.467 9.443 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.465 10.434 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.739 10.195 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.119 8.511 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.983 7.801 -0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.469 7.041 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.626 7.069 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.696 8.329 -1.799 1.00 0.00 H new ATOM 57 N HIS A 5 6.856 13.695 -2.012 1.00 0.00 N ATOM 58 CA HIS A 5 6.747 14.415 -0.753 1.00 0.00 C ATOM 59 C HIS A 5 6.031 13.544 0.294 1.00 0.00 C ATOM 60 O HIS A 5 6.271 13.672 1.494 1.00 0.00 O ATOM 61 CB HIS A 5 6.034 15.797 -0.928 1.00 0.00 C ATOM 62 CG HIS A 5 4.543 15.744 -1.156 1.00 0.00 C ATOM 63 ND1 HIS A 5 3.949 15.356 -2.329 1.00 0.00 N ATOM 64 CD2 HIS A 5 3.525 15.987 -0.293 1.00 0.00 C ATOM 65 CE1 HIS A 5 2.639 15.355 -2.160 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.317 15.737 -0.936 1.00 0.00 N ATOM 0 H HIS A 5 6.099 13.860 -2.675 1.00 0.00 H new ATOM 0 HA HIS A 5 7.756 14.627 -0.399 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.225 16.398 -0.039 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.493 16.317 -1.769 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.438 15.109 -3.190 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.635 16.321 0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.925 15.078 -2.922 1.00 0.00 H new ATOM 74 N SER A 6 5.172 12.641 -0.171 1.00 0.00 N ATOM 75 CA SER A 6 4.398 11.800 0.714 1.00 0.00 C ATOM 76 C SER A 6 3.826 10.632 -0.066 1.00 0.00 C ATOM 77 O SER A 6 4.122 10.470 -1.254 1.00 0.00 O ATOM 78 CB SER A 6 3.233 12.619 1.288 1.00 0.00 C ATOM 79 OG SER A 6 2.331 13.013 0.251 1.00 0.00 O ATOM 0 H SER A 6 4.999 12.478 -1.163 1.00 0.00 H new ATOM 0 HA SER A 6 5.038 11.432 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.701 12.029 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.619 13.503 1.796 1.00 0.00 H new ATOM 0 HG SER A 6 1.595 13.533 0.637 1.00 0.00 H new ATOM 85 N ILE A 7 3.003 9.841 0.596 1.00 0.00 N ATOM 86 CA ILE A 7 2.247 8.780 -0.038 1.00 0.00 C ATOM 87 C ILE A 7 1.220 9.389 -1.011 1.00 0.00 C ATOM 88 O ILE A 7 0.895 8.811 -2.035 1.00 0.00 O ATOM 89 CB ILE A 7 1.497 7.914 1.017 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.687 6.806 0.326 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.608 8.778 1.916 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.119 5.953 1.262 1.00 0.00 C ATOM 0 H ILE A 7 2.839 9.919 1.600 1.00 0.00 H new ATOM 0 HA ILE A 7 2.947 8.142 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 7 2.240 7.440 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.015 7.263 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.371 6.166 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.098 8.144 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.223 9.509 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.131 9.297 1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.659 5.197 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.547 5.464 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.831 6.578 1.802 1.00 0.00 H new ATOM 104 N SER A 8 0.775 10.603 -0.711 1.00 0.00 N ATOM 105 CA SER A 8 -0.227 11.259 -1.497 1.00 0.00 C ATOM 106 C SER A 8 0.386 11.906 -2.730 1.00 0.00 C ATOM 107 O SER A 8 -0.291 12.563 -3.497 1.00 0.00 O ATOM 108 CB SER A 8 -0.985 12.253 -0.626 1.00 0.00 C ATOM 109 OG SER A 8 -1.451 11.587 0.527 1.00 0.00 O ATOM 0 H SER A 8 1.106 11.148 0.085 1.00 0.00 H new ATOM 0 HA SER A 8 -0.944 10.525 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.334 13.081 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.822 12.678 -1.180 1.00 0.00 H new ATOM 0 HG SER A 8 -1.625 10.647 0.314 1.00 0.00 H new ATOM 115 N ASP A 9 1.680 11.714 -2.896 1.00 0.00 N ATOM 116 CA ASP A 9 2.377 12.138 -4.104 1.00 0.00 C ATOM 117 C ASP A 9 2.208 11.032 -5.161 1.00 0.00 C ATOM 118 O ASP A 9 2.413 11.243 -6.360 1.00 0.00 O ATOM 119 CB ASP A 9 3.851 12.333 -3.789 1.00 0.00 C ATOM 120 CG ASP A 9 4.620 13.137 -4.820 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.185 12.570 -5.754 1.00 0.00 O ATOM 122 OD2 ASP A 9 4.733 14.363 -4.648 1.00 0.00 O ATOM 0 H ASP A 9 2.279 11.263 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 9 1.970 13.078 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.939 12.829 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.319 11.354 -3.689 1.00 0.00 H new ATOM 127 N TYR A 10 1.823 9.852 -4.686 1.00 0.00 N ATOM 128 CA TYR A 10 1.550 8.699 -5.530 1.00 0.00 C ATOM 129 C TYR A 10 0.086 8.684 -5.836 1.00 0.00 C ATOM 130 O TYR A 10 -0.723 8.944 -4.950 1.00 0.00 O ATOM 131 CB TYR A 10 1.845 7.372 -4.796 1.00 0.00 C ATOM 132 CG TYR A 10 3.274 7.097 -4.422 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.882 7.756 -3.372 1.00 0.00 C ATOM 134 CD2 TYR A 10 4.016 6.149 -5.116 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.161 7.496 -3.029 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.321 5.877 -4.768 1.00 0.00 C ATOM 137 CZ TYR A 10 5.891 6.559 -3.721 1.00 0.00 C ATOM 138 OH TYR A 10 7.205 6.314 -3.363 1.00 0.00 O ATOM 0 H TYR A 10 1.691 9.669 -3.691 1.00 0.00 H new ATOM 0 HA TYR A 10 2.177 8.779 -6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.247 7.350 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.497 6.553 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.323 8.493 -2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.563 5.618 -5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.614 8.028 -2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.889 5.137 -5.312 1.00 0.00 H new ATOM 0 HH TYR A 10 7.580 5.624 -3.949 1.00 0.00 H new ATOM 148 N THR A 11 -0.268 8.408 -7.056 1.00 0.00 N ATOM 149 CA THR A 11 -1.656 8.204 -7.394 1.00 0.00 C ATOM 150 C THR A 11 -2.077 6.842 -6.869 1.00 0.00 C ATOM 151 O THR A 11 -1.201 6.031 -6.470 1.00 0.00 O ATOM 152 CB THR A 11 -1.896 8.250 -8.925 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.967 7.399 -9.593 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.780 9.649 -9.477 1.00 0.00 C ATOM 0 H THR A 11 0.381 8.318 -7.838 1.00 0.00 H new ATOM 0 HA THR A 11 -2.241 9.006 -6.944 1.00 0.00 H new ATOM 0 HB THR A 11 -2.914 7.903 -9.102 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.132 7.887 -9.751 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.956 9.631 -10.553 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.519 10.291 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.781 10.037 -9.279 1.00 0.00 H new ATOM 162 N GLU A 12 -3.378 6.563 -6.874 1.00 0.00 N ATOM 163 CA GLU A 12 -3.865 5.263 -6.446 1.00 0.00 C ATOM 164 C GLU A 12 -3.199 4.191 -7.282 1.00 0.00 C ATOM 165 O GLU A 12 -2.706 3.236 -6.759 1.00 0.00 O ATOM 166 CB GLU A 12 -5.385 5.141 -6.591 1.00 0.00 C ATOM 167 CG GLU A 12 -5.924 3.779 -6.168 1.00 0.00 C ATOM 168 CD GLU A 12 -7.368 3.580 -6.525 1.00 0.00 C ATOM 169 OE1 GLU A 12 -7.665 3.229 -7.674 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.240 3.737 -5.658 1.00 0.00 O ATOM 0 H GLU A 12 -4.105 7.216 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.622 5.143 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.863 5.915 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.660 5.326 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.328 2.997 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.803 3.666 -5.091 1.00 0.00 H new ATOM 177 N ALA A 13 -3.112 4.438 -8.572 1.00 0.00 N ATOM 178 CA ALA A 13 -2.533 3.487 -9.527 1.00 0.00 C ATOM 179 C ALA A 13 -1.057 3.166 -9.222 1.00 0.00 C ATOM 180 O ALA A 13 -0.638 2.017 -9.315 1.00 0.00 O ATOM 181 CB ALA A 13 -2.682 4.008 -10.948 1.00 0.00 C ATOM 0 H ALA A 13 -3.439 5.304 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.087 2.554 -9.425 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.248 3.292 -11.646 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.739 4.143 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.166 4.964 -11.041 1.00 0.00 H new ATOM 187 N GLU A 14 -0.288 4.171 -8.851 1.00 0.00 N ATOM 188 CA GLU A 14 1.146 3.991 -8.539 1.00 0.00 C ATOM 189 C GLU A 14 1.318 3.224 -7.261 1.00 0.00 C ATOM 190 O GLU A 14 2.201 2.364 -7.139 1.00 0.00 O ATOM 191 CB GLU A 14 1.822 5.343 -8.421 1.00 0.00 C ATOM 192 CG GLU A 14 1.828 6.150 -9.693 1.00 0.00 C ATOM 193 CD GLU A 14 2.290 7.553 -9.448 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.451 8.406 -9.104 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.496 7.818 -9.567 1.00 0.00 O ATOM 0 H GLU A 14 -0.619 5.131 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 14 1.607 3.425 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.322 5.919 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.851 5.194 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.480 5.673 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.826 6.165 -10.121 1.00 0.00 H new ATOM 202 N PHE A 15 0.476 3.510 -6.327 1.00 0.00 N ATOM 203 CA PHE A 15 0.519 2.850 -5.067 1.00 0.00 C ATOM 204 C PHE A 15 -0.076 1.475 -5.203 1.00 0.00 C ATOM 205 O PHE A 15 0.318 0.575 -4.555 1.00 0.00 O ATOM 206 CB PHE A 15 -0.177 3.661 -4.009 1.00 0.00 C ATOM 207 CG PHE A 15 0.147 3.214 -2.628 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.251 3.728 -1.980 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.645 2.295 -1.973 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.554 3.335 -0.704 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.345 1.901 -0.702 1.00 0.00 C ATOM 212 CZ PHE A 15 0.753 2.421 -0.069 1.00 0.00 C ATOM 0 H PHE A 15 -0.262 4.208 -6.416 1.00 0.00 H new ATOM 0 HA PHE A 15 1.556 2.746 -4.749 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.101 4.709 -4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.254 3.599 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.881 4.446 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.511 1.883 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.418 3.742 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.971 1.181 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.989 2.109 0.937 1.00 0.00 H new ATOM 222 N LEU A 16 -1.017 1.331 -6.058 1.00 0.00 N ATOM 223 CA LEU A 16 -1.624 0.047 -6.311 1.00 0.00 C ATOM 224 C LEU A 16 -0.622 -0.882 -6.978 1.00 0.00 C ATOM 225 O LEU A 16 -0.725 -2.100 -6.906 1.00 0.00 O ATOM 226 CB LEU A 16 -2.927 0.253 -7.085 1.00 0.00 C ATOM 227 CG LEU A 16 -3.831 -0.918 -7.252 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.271 -0.453 -7.317 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.518 -1.647 -8.496 1.00 0.00 C ATOM 0 H LEU A 16 -1.402 2.095 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.899 -0.453 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.491 1.042 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.671 0.622 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.686 -1.580 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.927 -1.315 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.527 0.069 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.398 0.222 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.191 -2.499 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.644 -0.981 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.488 -2.001 -8.461 1.00 0.00 H new ATOM 241 N GLU A 17 0.337 -0.301 -7.596 1.00 0.00 N ATOM 242 CA GLU A 17 1.455 -1.044 -8.074 1.00 0.00 C ATOM 243 C GLU A 17 2.427 -1.399 -6.952 1.00 0.00 C ATOM 244 O GLU A 17 3.199 -2.316 -7.112 1.00 0.00 O ATOM 245 CB GLU A 17 2.183 -0.404 -9.238 1.00 0.00 C ATOM 246 CG GLU A 17 1.410 -0.418 -10.534 1.00 0.00 C ATOM 247 CD GLU A 17 2.304 -0.141 -11.705 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.497 1.033 -12.067 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.866 -1.099 -12.277 1.00 0.00 O ATOM 0 H GLU A 17 0.375 0.700 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 17 1.024 -1.965 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.420 0.628 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.131 -0.921 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.929 -1.388 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.617 0.329 -10.495 1.00 0.00 H new ATOM 256 N PHE A 18 2.370 -0.671 -5.803 1.00 0.00 N ATOM 257 CA PHE A 18 3.259 -0.969 -4.619 1.00 0.00 C ATOM 258 C PHE A 18 3.106 -2.404 -4.270 1.00 0.00 C ATOM 259 O PHE A 18 4.061 -3.150 -4.195 1.00 0.00 O ATOM 260 CB PHE A 18 2.928 -0.080 -3.310 1.00 0.00 C ATOM 261 CG PHE A 18 2.098 -0.741 -2.099 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.695 -0.850 -2.115 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.742 -1.224 -0.958 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.010 -1.420 -1.039 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.034 -1.782 0.095 1.00 0.00 C ATOM 266 CZ PHE A 18 0.669 -1.877 0.052 1.00 0.00 C ATOM 0 H PHE A 18 1.734 0.114 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 18 4.278 -0.720 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.877 0.271 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.378 0.800 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.147 -0.488 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.818 -1.161 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.087 -1.495 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.566 -2.147 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.131 -2.313 0.881 1.00 0.00 H new ATOM 276 N VAL A 19 1.883 -2.781 -4.164 1.00 0.00 N ATOM 277 CA VAL A 19 1.512 -4.076 -3.721 1.00 0.00 C ATOM 278 C VAL A 19 1.806 -5.138 -4.773 1.00 0.00 C ATOM 279 O VAL A 19 2.278 -6.229 -4.451 1.00 0.00 O ATOM 280 CB VAL A 19 0.040 -4.079 -3.255 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.893 -3.639 -4.337 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.353 -5.394 -2.650 1.00 0.00 C ATOM 0 H VAL A 19 1.090 -2.180 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 19 2.125 -4.339 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.046 -3.338 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.917 -3.657 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.638 -2.626 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.806 -4.313 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.396 -5.353 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.228 -6.186 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.278 -5.600 -1.786 1.00 0.00 H new ATOM 292 N LYS A 20 1.579 -4.795 -6.020 1.00 0.00 N ATOM 293 CA LYS A 20 1.894 -5.677 -7.123 1.00 0.00 C ATOM 294 C LYS A 20 3.407 -5.919 -7.171 1.00 0.00 C ATOM 295 O LYS A 20 3.877 -7.046 -7.344 1.00 0.00 O ATOM 296 CB LYS A 20 1.399 -5.059 -8.420 1.00 0.00 C ATOM 297 CG LYS A 20 -0.094 -5.188 -8.578 1.00 0.00 C ATOM 298 CD LYS A 20 -0.663 -4.131 -9.472 1.00 0.00 C ATOM 299 CE LYS A 20 -2.131 -4.378 -9.770 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.357 -5.227 -10.956 1.00 0.00 N ATOM 0 H LYS A 20 1.173 -3.902 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 20 1.398 -6.638 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.676 -4.005 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.895 -5.541 -9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.331 -6.171 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.568 -5.126 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.547 -3.155 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.102 -4.103 -10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.595 -4.848 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.629 -3.420 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.379 -5.355 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.942 -4.771 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.909 -6.154 -10.810 1.00 0.00 H new ATOM 314 N LYS A 21 4.150 -4.842 -6.943 1.00 0.00 N ATOM 315 CA LYS A 21 5.597 -4.843 -6.901 1.00 0.00 C ATOM 316 C LYS A 21 6.101 -5.710 -5.746 1.00 0.00 C ATOM 317 O LYS A 21 7.111 -6.381 -5.869 1.00 0.00 O ATOM 318 CB LYS A 21 6.114 -3.381 -6.804 1.00 0.00 C ATOM 319 CG LYS A 21 7.624 -3.215 -6.778 1.00 0.00 C ATOM 320 CD LYS A 21 8.033 -1.749 -6.968 1.00 0.00 C ATOM 321 CE LYS A 21 7.499 -0.817 -5.886 1.00 0.00 C ATOM 322 NZ LYS A 21 7.918 0.587 -6.134 1.00 0.00 N ATOM 0 H LYS A 21 3.745 -3.920 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 21 5.990 -5.280 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.720 -2.819 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.702 -2.929 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.015 -3.583 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.071 -3.823 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.121 -1.684 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.677 -1.405 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.411 -0.875 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.862 -1.141 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.222 1.022 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.707 0.599 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.118 1.124 -6.525 1.00 0.00 H new ATOM 336 N ILE A 22 5.363 -5.722 -4.646 1.00 0.00 N ATOM 337 CA ILE A 22 5.721 -6.543 -3.495 1.00 0.00 C ATOM 338 C ILE A 22 5.388 -8.005 -3.765 1.00 0.00 C ATOM 339 O ILE A 22 6.152 -8.903 -3.427 1.00 0.00 O ATOM 340 CB ILE A 22 5.012 -6.087 -2.195 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.288 -4.615 -1.940 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.506 -6.913 -1.016 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.626 -4.062 -0.716 1.00 0.00 C ATOM 0 H ILE A 22 4.512 -5.173 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 22 6.794 -6.424 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 22 3.938 -6.234 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.365 -4.470 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.959 -4.041 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.003 -6.586 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.288 -7.966 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.582 -6.779 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.877 -3.007 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.545 -4.170 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.973 -4.606 0.163 1.00 0.00 H new ATOM 355 N CYS A 23 4.266 -8.244 -4.405 1.00 0.00 N ATOM 356 CA CYS A 23 3.846 -9.592 -4.726 1.00 0.00 C ATOM 357 C CYS A 23 4.852 -10.250 -5.690 1.00 0.00 C ATOM 358 O CYS A 23 5.089 -11.448 -5.635 1.00 0.00 O ATOM 359 CB CYS A 23 2.429 -9.579 -5.320 1.00 0.00 C ATOM 360 SG CYS A 23 1.696 -11.213 -5.576 1.00 0.00 S ATOM 0 H CYS A 23 3.622 -7.517 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 23 3.822 -10.185 -3.812 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.779 -9.005 -4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.456 -9.055 -6.275 1.00 0.00 H new ATOM 0 HG CYS A 23 0.504 -11.080 -6.077 1.00 0.00 H new ATOM 366 N ARG A 24 5.477 -9.442 -6.525 1.00 0.00 N ATOM 367 CA ARG A 24 6.445 -9.940 -7.479 1.00 0.00 C ATOM 368 C ARG A 24 7.887 -9.741 -6.989 1.00 0.00 C ATOM 369 O ARG A 24 8.841 -10.011 -7.715 1.00 0.00 O ATOM 370 CB ARG A 24 6.252 -9.280 -8.821 1.00 0.00 C ATOM 371 CG ARG A 24 6.629 -7.841 -8.870 1.00 0.00 C ATOM 372 CD ARG A 24 6.266 -7.272 -10.194 1.00 0.00 C ATOM 373 NE ARG A 24 6.892 -7.996 -11.313 1.00 0.00 N ATOM 374 CZ ARG A 24 6.448 -8.003 -12.580 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.400 -7.250 -12.930 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.076 -8.749 -13.498 1.00 0.00 N ATOM 0 H ARG A 24 5.330 -8.433 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 24 6.278 -11.012 -7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.839 -9.820 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.206 -9.377 -9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.119 -7.295 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.699 -7.730 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.183 -7.297 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.567 -6.225 -10.230 1.00 0.00 H new ATOM 0 HE ARG A 24 7.732 -8.537 -11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.935 -6.668 -12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.065 -7.258 -13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.887 -9.308 -13.233 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.743 -8.758 -14.462 1.00 0.00 H new ATOM 390 N ALA A 25 8.032 -9.301 -5.743 1.00 0.00 N ATOM 391 CA ALA A 25 9.332 -8.916 -5.147 1.00 0.00 C ATOM 392 C ALA A 25 10.257 -10.103 -4.801 1.00 0.00 C ATOM 393 O ALA A 25 11.189 -9.970 -4.007 1.00 0.00 O ATOM 394 CB ALA A 25 9.118 -8.056 -3.929 1.00 0.00 C ATOM 0 H ALA A 25 7.247 -9.196 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 25 9.850 -8.352 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.083 -7.782 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.576 -7.153 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.539 -8.610 -3.190 1.00 0.00 H new ATOM 400 N GLU A 26 10.036 -11.229 -5.426 1.00 0.00 N ATOM 401 CA GLU A 26 10.828 -12.440 -5.204 1.00 0.00 C ATOM 402 C GLU A 26 12.157 -12.385 -6.007 1.00 0.00 C ATOM 403 O GLU A 26 12.826 -13.414 -6.201 1.00 0.00 O ATOM 404 CB GLU A 26 9.999 -13.662 -5.629 1.00 0.00 C ATOM 405 CG GLU A 26 9.557 -13.627 -7.094 1.00 0.00 C ATOM 406 CD GLU A 26 8.723 -14.816 -7.490 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.277 -15.937 -7.625 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.491 -14.664 -7.684 1.00 0.00 O ATOM 0 H GLU A 26 9.294 -11.347 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 26 11.080 -12.515 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.585 -14.565 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.116 -13.729 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.987 -12.715 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.440 -13.582 -7.732 1.00 0.00 H new ATOM 415 N GLY A 27 12.530 -11.176 -6.424 1.00 0.00 N ATOM 416 CA GLY A 27 13.685 -10.932 -7.264 1.00 0.00 C ATOM 417 C GLY A 27 14.995 -11.388 -6.673 1.00 0.00 C ATOM 418 O GLY A 27 15.516 -12.442 -7.049 1.00 0.00 O ATOM 0 H GLY A 27 12.022 -10.326 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.537 -11.436 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.747 -9.864 -7.473 1.00 0.00 H new ATOM 422 N ALA A 28 15.553 -10.596 -5.789 1.00 0.00 N ATOM 423 CA ALA A 28 16.817 -10.940 -5.165 1.00 0.00 C ATOM 424 C ALA A 28 16.607 -12.014 -4.125 1.00 0.00 C ATOM 425 O ALA A 28 17.146 -13.123 -4.225 1.00 0.00 O ATOM 426 CB ALA A 28 17.434 -9.711 -4.529 1.00 0.00 C ATOM 0 H ALA A 28 15.155 -9.708 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 28 17.496 -11.319 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.382 -9.979 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.607 -8.954 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.757 -9.315 -3.772 1.00 0.00 H new ATOM 432 N THR A 29 15.817 -11.674 -3.161 1.00 0.00 N ATOM 433 CA THR A 29 15.459 -12.508 -2.063 1.00 0.00 C ATOM 434 C THR A 29 14.151 -11.963 -1.523 1.00 0.00 C ATOM 435 O THR A 29 13.776 -10.839 -1.877 1.00 0.00 O ATOM 436 CB THR A 29 16.576 -12.500 -0.972 1.00 0.00 C ATOM 437 OG1 THR A 29 17.456 -11.372 -1.179 1.00 0.00 O ATOM 438 CG2 THR A 29 17.384 -13.793 -0.992 1.00 0.00 C ATOM 0 H THR A 29 15.379 -10.754 -3.117 1.00 0.00 H new ATOM 0 HA THR A 29 15.345 -13.547 -2.374 1.00 0.00 H new ATOM 0 HB THR A 29 16.094 -12.417 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.813 -11.073 -0.317 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.153 -13.754 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.723 -14.638 -0.803 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.855 -13.913 -1.968 1.00 0.00 H new ATOM 446 N GLU A 30 13.472 -12.702 -0.661 1.00 0.00 N ATOM 447 CA GLU A 30 12.156 -12.300 -0.136 1.00 0.00 C ATOM 448 C GLU A 30 12.280 -11.114 0.861 1.00 0.00 C ATOM 449 O GLU A 30 11.301 -10.647 1.453 1.00 0.00 O ATOM 450 CB GLU A 30 11.463 -13.524 0.476 1.00 0.00 C ATOM 451 CG GLU A 30 9.986 -13.348 0.783 1.00 0.00 C ATOM 452 CD GLU A 30 9.341 -14.626 1.248 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.893 -15.419 0.403 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.265 -14.864 2.472 1.00 0.00 O ATOM 0 H GLU A 30 13.807 -13.595 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 30 11.534 -11.933 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.577 -14.365 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.980 -13.790 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.866 -12.583 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.473 -12.988 -0.109 1.00 0.00 H new ATOM 461 N GLU A 31 13.491 -10.619 0.999 1.00 0.00 N ATOM 462 CA GLU A 31 13.776 -9.436 1.779 1.00 0.00 C ATOM 463 C GLU A 31 13.345 -8.210 0.969 1.00 0.00 C ATOM 464 O GLU A 31 12.990 -7.173 1.527 1.00 0.00 O ATOM 465 CB GLU A 31 15.275 -9.344 2.058 1.00 0.00 C ATOM 466 CG GLU A 31 16.107 -9.215 0.791 1.00 0.00 C ATOM 467 CD GLU A 31 17.562 -9.062 1.047 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.030 -7.918 1.232 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.274 -10.063 1.039 1.00 0.00 O ATOM 0 H GLU A 31 14.316 -11.034 0.566 1.00 0.00 H new ATOM 0 HA GLU A 31 13.239 -9.481 2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.467 -8.486 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.592 -10.231 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.947 -10.096 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.755 -8.355 0.221 1.00 0.00 H new ATOM 476 N ASP A 32 13.352 -8.372 -0.370 1.00 0.00 N ATOM 477 CA ASP A 32 13.004 -7.305 -1.306 1.00 0.00 C ATOM 478 C ASP A 32 11.559 -6.929 -1.064 1.00 0.00 C ATOM 479 O ASP A 32 11.194 -5.760 -1.033 1.00 0.00 O ATOM 480 CB ASP A 32 13.237 -7.777 -2.757 1.00 0.00 C ATOM 481 CG ASP A 32 13.152 -6.670 -3.788 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.179 -5.964 -4.006 1.00 0.00 O ATOM 483 OD2 ASP A 32 12.115 -6.522 -4.436 1.00 0.00 O ATOM 0 H ASP A 32 13.601 -9.251 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 32 13.634 -6.429 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.219 -8.245 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.502 -8.544 -3.001 1.00 0.00 H new ATOM 488 N ASP A 33 10.780 -7.968 -0.802 1.00 0.00 N ATOM 489 CA ASP A 33 9.371 -7.896 -0.393 1.00 0.00 C ATOM 490 C ASP A 33 9.222 -7.019 0.839 1.00 0.00 C ATOM 491 O ASP A 33 8.559 -5.983 0.812 1.00 0.00 O ATOM 492 CB ASP A 33 8.902 -9.338 -0.069 1.00 0.00 C ATOM 493 CG ASP A 33 7.527 -9.479 0.597 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.413 -9.218 1.827 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.585 -9.964 -0.069 1.00 0.00 O ATOM 0 H ASP A 33 11.119 -8.928 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 33 8.769 -7.463 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.891 -9.910 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.645 -9.800 0.581 1.00 0.00 H new ATOM 500 N ASN A 34 9.913 -7.406 1.881 1.00 0.00 N ATOM 501 CA ASN A 34 9.811 -6.779 3.177 1.00 0.00 C ATOM 502 C ASN A 34 10.277 -5.331 3.170 1.00 0.00 C ATOM 503 O ASN A 34 9.633 -4.476 3.770 1.00 0.00 O ATOM 504 CB ASN A 34 10.593 -7.593 4.184 1.00 0.00 C ATOM 505 CG ASN A 34 10.556 -7.046 5.588 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.553 -6.488 6.039 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.645 -7.188 6.285 1.00 0.00 N ATOM 0 H ASN A 34 10.576 -8.181 1.853 1.00 0.00 H new ATOM 0 HA ASN A 34 8.758 -6.755 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.202 -8.611 4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.631 -7.653 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.690 -6.832 7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.454 -7.656 5.877 1.00 0.00 H new ATOM 514 N LYS A 35 11.365 -5.036 2.471 1.00 0.00 N ATOM 515 CA LYS A 35 11.856 -3.666 2.446 1.00 0.00 C ATOM 516 C LYS A 35 10.887 -2.759 1.702 1.00 0.00 C ATOM 517 O LYS A 35 10.781 -1.569 2.018 1.00 0.00 O ATOM 518 CB LYS A 35 13.288 -3.543 1.891 1.00 0.00 C ATOM 519 CG LYS A 35 13.471 -3.922 0.426 1.00 0.00 C ATOM 520 CD LYS A 35 14.919 -3.715 -0.004 1.00 0.00 C ATOM 521 CE LYS A 35 15.155 -4.079 -1.469 1.00 0.00 C ATOM 522 NZ LYS A 35 14.369 -3.244 -2.403 1.00 0.00 N ATOM 0 H LYS A 35 11.911 -5.706 1.928 1.00 0.00 H new ATOM 0 HA LYS A 35 11.912 -3.335 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.621 -2.514 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.945 -4.171 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.187 -4.963 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.811 -3.318 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.196 -2.673 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.571 -4.320 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.215 -3.972 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.899 -5.127 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.656 -3.453 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.357 -3.452 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.541 -2.239 -2.199 1.00 0.00 H new ATOM 536 N LEU A 36 10.159 -3.325 0.734 1.00 0.00 N ATOM 537 CA LEU A 36 9.127 -2.579 0.058 1.00 0.00 C ATOM 538 C LEU A 36 8.013 -2.315 1.036 1.00 0.00 C ATOM 539 O LEU A 36 7.587 -1.183 1.213 1.00 0.00 O ATOM 540 CB LEU A 36 8.571 -3.351 -1.134 1.00 0.00 C ATOM 541 CG LEU A 36 9.499 -3.561 -2.318 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.836 -4.472 -3.320 1.00 0.00 C ATOM 543 CD2 LEU A 36 9.830 -2.239 -2.968 1.00 0.00 C ATOM 0 H LEU A 36 10.273 -4.287 0.414 1.00 0.00 H new ATOM 0 HA LEU A 36 9.554 -1.647 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.247 -4.330 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.682 -2.830 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 36 10.425 -4.017 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.501 -4.623 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.621 -5.433 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.906 -4.020 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.496 -2.406 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.912 -1.765 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.321 -1.590 -2.243 1.00 0.00 H new ATOM 555 N VAL A 37 7.585 -3.367 1.710 1.00 0.00 N ATOM 556 CA VAL A 37 6.516 -3.270 2.688 1.00 0.00 C ATOM 557 C VAL A 37 6.842 -2.211 3.739 1.00 0.00 C ATOM 558 O VAL A 37 6.031 -1.351 4.022 1.00 0.00 O ATOM 559 CB VAL A 37 6.230 -4.624 3.410 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.076 -4.438 4.368 1.00 0.00 C ATOM 561 CG2 VAL A 37 5.881 -5.715 2.420 1.00 0.00 C ATOM 0 H VAL A 37 7.965 -4.307 1.596 1.00 0.00 H new ATOM 0 HA VAL A 37 5.622 -2.989 2.131 1.00 0.00 H new ATOM 0 HB VAL A 37 7.131 -4.924 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.870 -5.380 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.334 -3.677 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.191 -4.123 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.688 -6.644 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.991 -5.427 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.712 -5.860 1.730 1.00 0.00 H new ATOM 571 N ARG A 38 8.050 -2.241 4.254 1.00 0.00 N ATOM 572 CA ARG A 38 8.437 -1.328 5.315 1.00 0.00 C ATOM 573 C ARG A 38 8.527 0.122 4.857 1.00 0.00 C ATOM 574 O ARG A 38 8.292 1.028 5.654 1.00 0.00 O ATOM 575 CB ARG A 38 9.713 -1.782 6.036 1.00 0.00 C ATOM 576 CG ARG A 38 9.568 -3.164 6.626 1.00 0.00 C ATOM 577 CD ARG A 38 10.685 -3.545 7.578 1.00 0.00 C ATOM 578 NE ARG A 38 10.419 -4.873 8.150 1.00 0.00 N ATOM 579 CZ ARG A 38 10.945 -5.387 9.267 1.00 0.00 C ATOM 580 NH1 ARG A 38 11.873 -4.727 9.955 1.00 0.00 N ATOM 581 NH2 ARG A 38 10.534 -6.579 9.686 1.00 0.00 N ATOM 0 H ARG A 38 8.783 -2.885 3.959 1.00 0.00 H new ATOM 0 HA ARG A 38 7.627 -1.363 6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.548 -1.773 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.954 -1.073 6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.617 -3.225 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.530 -3.892 5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.639 -3.550 7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.765 -2.805 8.374 1.00 0.00 H new ATOM 0 HE ARG A 38 9.763 -5.465 7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.194 -3.814 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.263 -5.134 10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.826 -7.089 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.926 -6.984 10.536 1.00 0.00 H new ATOM 595 N GLU A 39 8.840 0.363 3.587 1.00 0.00 N ATOM 596 CA GLU A 39 8.880 1.734 3.118 1.00 0.00 C ATOM 597 C GLU A 39 7.463 2.232 2.883 1.00 0.00 C ATOM 598 O GLU A 39 7.118 3.344 3.259 1.00 0.00 O ATOM 599 CB GLU A 39 9.773 1.933 1.862 1.00 0.00 C ATOM 600 CG GLU A 39 9.278 1.272 0.581 1.00 0.00 C ATOM 601 CD GLU A 39 10.182 1.514 -0.604 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.156 0.755 -0.806 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.941 2.471 -1.357 1.00 0.00 O ATOM 0 H GLU A 39 9.061 -0.348 2.890 1.00 0.00 H new ATOM 0 HA GLU A 39 9.350 2.332 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.876 3.003 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.769 1.550 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.187 0.198 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.280 1.645 0.350 1.00 0.00 H new ATOM 610 N PHE A 40 6.632 1.371 2.328 1.00 0.00 N ATOM 611 CA PHE A 40 5.267 1.721 2.023 1.00 0.00 C ATOM 612 C PHE A 40 4.406 1.834 3.273 1.00 0.00 C ATOM 613 O PHE A 40 3.642 2.774 3.402 1.00 0.00 O ATOM 614 CB PHE A 40 4.672 0.767 1.000 1.00 0.00 C ATOM 615 CG PHE A 40 5.262 0.904 -0.390 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.099 2.072 -1.121 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.946 -0.147 -0.973 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.611 2.179 -2.403 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.462 -0.044 -2.244 1.00 0.00 C ATOM 620 CZ PHE A 40 6.295 1.114 -2.962 1.00 0.00 C ATOM 0 H PHE A 40 6.887 0.415 2.079 1.00 0.00 H new ATOM 0 HA PHE A 40 5.280 2.714 1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.818 -0.256 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.596 0.935 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.568 2.906 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.077 -1.066 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.477 3.091 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.999 -0.875 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.697 1.194 -3.961 1.00 0.00 H new ATOM 630 N GLU A 41 4.579 0.917 4.217 1.00 0.00 N ATOM 631 CA GLU A 41 3.847 0.954 5.480 1.00 0.00 C ATOM 632 C GLU A 41 4.227 2.127 6.353 1.00 0.00 C ATOM 633 O GLU A 41 3.492 2.532 7.256 1.00 0.00 O ATOM 634 CB GLU A 41 3.905 -0.380 6.214 1.00 0.00 C ATOM 635 CG GLU A 41 2.891 -1.323 5.625 1.00 0.00 C ATOM 636 CD GLU A 41 1.565 -0.626 5.599 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.003 -0.424 6.693 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.095 -0.222 4.528 1.00 0.00 O ATOM 0 H GLU A 41 5.225 0.132 4.132 1.00 0.00 H new ATOM 0 HA GLU A 41 2.801 1.119 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.904 -0.808 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.706 -0.232 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.186 -1.618 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.830 -2.235 6.219 1.00 0.00 H new ATOM 645 N ARG A 42 5.355 2.690 6.056 1.00 0.00 N ATOM 646 CA ARG A 42 5.830 3.876 6.715 1.00 0.00 C ATOM 647 C ARG A 42 5.112 5.082 6.145 1.00 0.00 C ATOM 648 O ARG A 42 4.813 6.051 6.835 1.00 0.00 O ATOM 649 CB ARG A 42 7.307 3.969 6.470 1.00 0.00 C ATOM 650 CG ARG A 42 7.979 5.180 7.047 1.00 0.00 C ATOM 651 CD ARG A 42 9.474 4.938 7.211 1.00 0.00 C ATOM 652 NE ARG A 42 10.108 4.424 5.978 1.00 0.00 N ATOM 653 CZ ARG A 42 11.018 3.425 5.941 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.480 2.896 7.067 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.491 2.991 4.778 1.00 0.00 N ATOM 0 H ARG A 42 5.986 2.336 5.337 1.00 0.00 H new ATOM 0 HA ARG A 42 5.636 3.840 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.783 3.079 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.481 3.955 5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.814 6.039 6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.536 5.422 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.959 5.870 7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.636 4.227 8.021 1.00 0.00 H new ATOM 0 HE ARG A 42 9.840 4.854 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.149 3.243 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.167 2.142 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.168 3.412 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.178 2.237 4.756 1.00 0.00 H new ATOM 669 N LEU A 43 4.837 4.985 4.891 1.00 0.00 N ATOM 670 CA LEU A 43 4.137 6.010 4.149 1.00 0.00 C ATOM 671 C LEU A 43 2.627 5.980 4.439 1.00 0.00 C ATOM 672 O LEU A 43 1.975 7.019 4.461 1.00 0.00 O ATOM 673 CB LEU A 43 4.394 5.826 2.647 1.00 0.00 C ATOM 674 CG LEU A 43 5.849 5.946 2.195 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.994 5.550 0.732 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.353 7.364 2.411 1.00 0.00 C ATOM 0 H LEU A 43 5.093 4.175 4.326 1.00 0.00 H new ATOM 0 HA LEU A 43 4.515 6.982 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.023 4.844 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.804 6.565 2.105 1.00 0.00 H new ATOM 0 HG LEU A 43 6.452 5.264 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.038 5.643 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.669 4.518 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.379 6.205 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.391 7.435 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.743 8.059 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.287 7.616 3.469 1.00 0.00 H new ATOM 688 N THR A 44 2.098 4.807 4.689 1.00 0.00 N ATOM 689 CA THR A 44 0.660 4.636 4.896 1.00 0.00 C ATOM 690 C THR A 44 0.244 4.936 6.290 1.00 0.00 C ATOM 691 O THR A 44 -0.859 5.475 6.504 1.00 0.00 O ATOM 692 CB THR A 44 0.238 3.211 4.573 1.00 0.00 C ATOM 693 OG1 THR A 44 1.105 2.323 5.247 1.00 0.00 O ATOM 694 CG2 THR A 44 0.320 2.998 3.112 1.00 0.00 C ATOM 0 H THR A 44 2.637 3.944 4.757 1.00 0.00 H new ATOM 0 HA THR A 44 0.172 5.344 4.226 1.00 0.00 H new ATOM 0 HB THR A 44 -0.788 3.033 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.228 1.514 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.018 1.978 2.876 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.342 3.699 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.345 3.160 2.778 1.00 0.00 H new ATOM 702 N GLU A 45 1.120 4.565 7.251 1.00 0.00 N ATOM 703 CA GLU A 45 0.836 4.663 8.649 1.00 0.00 C ATOM 704 C GLU A 45 -0.338 3.705 8.937 1.00 0.00 C ATOM 705 O GLU A 45 -1.106 3.867 9.890 1.00 0.00 O ATOM 706 CB GLU A 45 0.521 6.128 8.991 1.00 0.00 C ATOM 707 CG GLU A 45 0.446 6.441 10.447 1.00 0.00 C ATOM 708 CD GLU A 45 0.285 7.913 10.676 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.304 8.629 10.723 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.866 8.401 10.766 1.00 0.00 O ATOM 0 H GLU A 45 2.046 4.189 7.047 1.00 0.00 H new ATOM 0 HA GLU A 45 1.680 4.373 9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.284 6.761 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.430 6.395 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.392 5.907 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.350 6.089 10.945 1.00 0.00 H new ATOM 717 N HIS A 46 -0.427 2.664 8.114 1.00 0.00 N ATOM 718 CA HIS A 46 -1.507 1.734 8.197 1.00 0.00 C ATOM 719 C HIS A 46 -1.143 0.579 9.178 1.00 0.00 C ATOM 720 O HIS A 46 -0.037 0.095 9.187 1.00 0.00 O ATOM 721 CB HIS A 46 -1.906 1.220 6.775 1.00 0.00 C ATOM 722 CG HIS A 46 -3.199 0.483 6.778 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.330 -0.795 7.220 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.449 0.935 6.579 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.625 -1.063 7.330 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.351 -0.054 6.939 1.00 0.00 N ATOM 0 H HIS A 46 0.252 2.458 7.381 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.387 2.235 8.602 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.976 2.067 6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.120 0.567 6.394 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.709 1.912 6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.025 -1.997 7.696 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.369 -0.003 6.905 1.00 0.00 H new ATOM 734 N PRO A 47 -2.074 0.184 10.044 1.00 0.00 N ATOM 735 CA PRO A 47 -1.852 -0.856 11.066 1.00 0.00 C ATOM 736 C PRO A 47 -1.693 -2.248 10.529 1.00 0.00 C ATOM 737 O PRO A 47 -0.822 -3.011 10.959 1.00 0.00 O ATOM 738 CB PRO A 47 -3.141 -0.823 11.864 1.00 0.00 C ATOM 739 CG PRO A 47 -4.138 -0.153 11.017 1.00 0.00 C ATOM 740 CD PRO A 47 -3.392 0.772 10.159 1.00 0.00 C ATOM 0 HA PRO A 47 -0.929 -0.649 11.607 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.465 -1.832 12.120 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.003 -0.284 12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.691 -0.878 10.419 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.868 0.382 11.624 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.866 0.876 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.344 1.768 10.598 1.00 0.00 H new ATOM 748 N ASP A 48 -2.518 -2.565 9.591 1.00 0.00 N ATOM 749 CA ASP A 48 -2.645 -3.901 9.109 1.00 0.00 C ATOM 750 C ASP A 48 -2.028 -3.941 7.764 1.00 0.00 C ATOM 751 O ASP A 48 -2.226 -4.869 7.023 1.00 0.00 O ATOM 752 CB ASP A 48 -4.129 -4.305 8.945 1.00 0.00 C ATOM 753 CG ASP A 48 -4.991 -4.085 10.165 1.00 0.00 C ATOM 754 OD1 ASP A 48 -5.076 -4.993 11.024 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.633 -3.011 10.270 1.00 0.00 O ATOM 0 H ASP A 48 -3.133 -1.895 9.129 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.170 -4.580 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.553 -3.742 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.174 -5.359 8.672 1.00 0.00 H new ATOM 760 N GLY A 49 -1.280 -2.900 7.462 1.00 0.00 N ATOM 761 CA GLY A 49 -0.723 -2.715 6.124 1.00 0.00 C ATOM 762 C GLY A 49 0.136 -3.822 5.671 1.00 0.00 C ATOM 763 O GLY A 49 -0.057 -4.346 4.575 1.00 0.00 O ATOM 0 H GLY A 49 -1.039 -2.162 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.542 -2.592 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.145 -1.791 6.107 1.00 0.00 H new ATOM 767 N SER A 50 1.055 -4.204 6.503 1.00 0.00 N ATOM 768 CA SER A 50 1.936 -5.307 6.151 1.00 0.00 C ATOM 769 C SER A 50 1.087 -6.577 5.979 1.00 0.00 C ATOM 770 O SER A 50 1.191 -7.271 4.963 1.00 0.00 O ATOM 771 CB SER A 50 3.017 -5.520 7.208 1.00 0.00 C ATOM 772 OG SER A 50 3.598 -4.279 7.613 1.00 0.00 O ATOM 0 H SER A 50 1.224 -3.786 7.418 1.00 0.00 H new ATOM 0 HA SER A 50 2.447 -5.071 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.588 -6.023 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.793 -6.175 6.811 1.00 0.00 H new ATOM 0 HG SER A 50 4.285 -4.446 8.291 1.00 0.00 H new ATOM 778 N ASP A 51 0.180 -6.804 6.950 1.00 0.00 N ATOM 779 CA ASP A 51 -0.753 -7.931 6.949 1.00 0.00 C ATOM 780 C ASP A 51 -1.509 -7.997 5.652 1.00 0.00 C ATOM 781 O ASP A 51 -1.573 -9.027 5.074 1.00 0.00 O ATOM 782 CB ASP A 51 -1.785 -7.858 8.097 1.00 0.00 C ATOM 783 CG ASP A 51 -1.202 -7.963 9.479 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.881 -9.083 9.928 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.082 -6.926 10.173 1.00 0.00 O ATOM 0 H ASP A 51 0.080 -6.198 7.764 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.139 -8.821 7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.329 -6.917 8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.513 -8.658 7.963 1.00 0.00 H new ATOM 790 N LEU A 52 -2.026 -6.850 5.184 1.00 0.00 N ATOM 791 CA LEU A 52 -2.834 -6.745 3.936 1.00 0.00 C ATOM 792 C LEU A 52 -2.159 -7.417 2.763 1.00 0.00 C ATOM 793 O LEU A 52 -2.791 -8.110 1.978 1.00 0.00 O ATOM 794 CB LEU A 52 -3.040 -5.276 3.520 1.00 0.00 C ATOM 795 CG LEU A 52 -3.742 -4.341 4.484 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.791 -2.942 3.888 1.00 0.00 C ATOM 797 CD2 LEU A 52 -5.142 -4.841 4.798 1.00 0.00 C ATOM 0 H LEU A 52 -1.900 -5.956 5.658 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.782 -7.231 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.059 -4.853 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.602 -5.272 2.586 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.183 -4.311 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.296 -2.269 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.776 -2.586 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.336 -2.967 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.627 -4.154 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.723 -4.897 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.082 -5.831 5.250 1.00 0.00 H new ATOM 809 N ILE A 53 -0.866 -7.251 2.698 1.00 0.00 N ATOM 810 CA ILE A 53 -0.077 -7.659 1.556 1.00 0.00 C ATOM 811 C ILE A 53 0.078 -9.145 1.554 1.00 0.00 C ATOM 812 O ILE A 53 0.147 -9.791 0.510 1.00 0.00 O ATOM 813 CB ILE A 53 1.294 -6.979 1.633 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.079 -5.475 1.713 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.167 -7.346 0.432 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.303 -4.708 2.056 1.00 0.00 C ATOM 0 H ILE A 53 -0.318 -6.823 3.445 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.576 -7.363 0.633 1.00 0.00 H new ATOM 0 HB ILE A 53 1.822 -7.325 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.697 -5.121 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.311 -5.267 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.132 -6.847 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.317 -8.425 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.674 -7.028 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.067 -3.644 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.675 -5.032 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.067 -4.884 1.298 1.00 0.00 H new ATOM 828 N TYR A 54 0.086 -9.676 2.715 1.00 0.00 N ATOM 829 CA TYR A 54 0.248 -11.058 2.893 1.00 0.00 C ATOM 830 C TYR A 54 -1.122 -11.753 2.975 1.00 0.00 C ATOM 831 O TYR A 54 -1.314 -12.831 2.424 1.00 0.00 O ATOM 832 CB TYR A 54 1.074 -11.296 4.152 1.00 0.00 C ATOM 833 CG TYR A 54 2.439 -10.622 4.140 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.369 -10.895 3.147 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.789 -9.713 5.127 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.607 -10.280 3.137 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.022 -9.088 5.130 1.00 0.00 C ATOM 838 CZ TYR A 54 4.932 -9.377 4.130 1.00 0.00 C ATOM 839 OH TYR A 54 6.173 -8.756 4.118 1.00 0.00 O ATOM 0 H TYR A 54 -0.022 -9.150 3.582 1.00 0.00 H new ATOM 0 HA TYR A 54 0.774 -11.486 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.512 -10.938 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.212 -12.369 4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.121 -11.601 2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.082 -9.488 5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.318 -10.505 2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.272 -8.380 5.907 1.00 0.00 H new ATOM 0 HH TYR A 54 6.687 -9.067 3.344 1.00 0.00 H new ATOM 849 N TYR A 55 -2.056 -11.109 3.649 1.00 0.00 N ATOM 850 CA TYR A 55 -3.389 -11.619 3.914 1.00 0.00 C ATOM 851 C TYR A 55 -4.383 -10.447 3.914 1.00 0.00 C ATOM 852 O TYR A 55 -4.460 -9.703 4.904 1.00 0.00 O ATOM 853 CB TYR A 55 -3.452 -12.266 5.321 1.00 0.00 C ATOM 854 CG TYR A 55 -2.342 -13.235 5.616 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.412 -14.545 5.183 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.205 -12.825 6.318 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.389 -15.430 5.429 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.179 -13.711 6.570 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.276 -15.011 6.121 1.00 0.00 C ATOM 860 OH TYR A 55 0.753 -15.896 6.351 1.00 0.00 O ATOM 0 H TYR A 55 -1.902 -10.181 4.042 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.633 -12.355 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.435 -11.475 6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.405 -12.784 5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.285 -14.880 4.642 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.129 -11.805 6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.459 -16.450 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.695 -13.389 7.116 1.00 0.00 H new ATOM 0 HH TYR A 55 1.466 -15.446 6.851 1.00 0.00 H new ATOM 870 N PRO A 56 -5.093 -10.206 2.807 1.00 0.00 N ATOM 871 CA PRO A 56 -6.147 -9.189 2.762 1.00 0.00 C ATOM 872 C PRO A 56 -7.249 -9.573 3.744 1.00 0.00 C ATOM 873 O PRO A 56 -8.017 -10.485 3.464 1.00 0.00 O ATOM 874 CB PRO A 56 -6.655 -9.247 1.314 1.00 0.00 C ATOM 875 CG PRO A 56 -5.552 -9.908 0.561 1.00 0.00 C ATOM 876 CD PRO A 56 -4.915 -10.870 1.521 1.00 0.00 C ATOM 0 HA PRO A 56 -5.808 -8.190 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.582 -9.815 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.860 -8.250 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.936 -10.429 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.828 -9.175 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.401 -11.846 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.862 -11.033 1.292 1.00 0.00 H new ATOM 884 N ARG A 57 -7.310 -8.812 4.864 1.00 0.00 N ATOM 885 CA ARG A 57 -8.078 -9.104 6.121 1.00 0.00 C ATOM 886 C ARG A 57 -9.138 -10.231 6.011 1.00 0.00 C ATOM 887 O ARG A 57 -8.786 -11.406 5.846 1.00 0.00 O ATOM 888 CB ARG A 57 -8.701 -7.812 6.693 1.00 0.00 C ATOM 889 CG ARG A 57 -7.741 -6.633 6.790 1.00 0.00 C ATOM 890 CD ARG A 57 -8.309 -5.498 7.638 1.00 0.00 C ATOM 891 NE ARG A 57 -9.653 -5.052 7.223 1.00 0.00 N ATOM 892 CZ ARG A 57 -10.620 -4.676 8.092 1.00 0.00 C ATOM 893 NH1 ARG A 57 -10.371 -4.622 9.402 1.00 0.00 N ATOM 894 NH2 ARG A 57 -11.824 -4.353 7.651 1.00 0.00 N ATOM 0 H ARG A 57 -6.802 -7.930 4.929 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.335 -9.497 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.546 -7.525 6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.097 -8.024 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.797 -6.969 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.521 -6.262 5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.350 -5.821 8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.626 -4.649 7.594 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.865 -5.026 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.446 -4.865 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.106 -4.337 10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.027 -4.387 6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.550 -4.070 8.310 1.00 0.00 H new ATOM 908 N ASP A 58 -10.393 -9.910 6.181 1.00 0.00 N ATOM 909 CA ASP A 58 -11.452 -10.895 5.938 1.00 0.00 C ATOM 910 C ASP A 58 -12.419 -10.398 4.907 1.00 0.00 C ATOM 911 O ASP A 58 -12.714 -11.064 3.927 1.00 0.00 O ATOM 912 CB ASP A 58 -12.209 -11.290 7.206 1.00 0.00 C ATOM 913 CG ASP A 58 -13.275 -12.337 6.919 1.00 0.00 C ATOM 914 OD1 ASP A 58 -12.940 -13.532 6.814 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.470 -11.988 6.794 1.00 0.00 O ATOM 0 H ASP A 58 -10.720 -8.992 6.482 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.950 -11.789 5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.507 -11.678 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.674 -10.406 7.643 1.00 0.00 H new ATOM 920 N ASP A 59 -12.886 -9.202 5.139 1.00 0.00 N ATOM 921 CA ASP A 59 -13.922 -8.562 4.340 1.00 0.00 C ATOM 922 C ASP A 59 -13.319 -7.774 3.204 1.00 0.00 C ATOM 923 O ASP A 59 -14.021 -7.064 2.482 1.00 0.00 O ATOM 924 CB ASP A 59 -14.701 -7.597 5.227 1.00 0.00 C ATOM 925 CG ASP A 59 -13.839 -6.427 5.664 1.00 0.00 C ATOM 926 OD1 ASP A 59 -12.790 -6.661 6.292 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.195 -5.259 5.387 1.00 0.00 O ATOM 0 H ASP A 59 -12.554 -8.620 5.908 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.571 -9.337 3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.572 -7.227 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.071 -8.126 6.105 1.00 0.00 H new ATOM 932 N ARG A 60 -12.041 -7.858 3.052 1.00 0.00 N ATOM 933 CA ARG A 60 -11.417 -7.149 2.050 1.00 0.00 C ATOM 934 C ARG A 60 -11.124 -8.041 0.886 1.00 0.00 C ATOM 935 O ARG A 60 -10.713 -9.202 1.053 1.00 0.00 O ATOM 936 CB ARG A 60 -10.169 -6.489 2.570 1.00 0.00 C ATOM 937 CG ARG A 60 -9.398 -5.738 1.525 1.00 0.00 C ATOM 938 CD ARG A 60 -10.239 -4.639 0.856 1.00 0.00 C ATOM 939 NE ARG A 60 -10.730 -3.646 1.797 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.572 -2.652 1.490 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.146 -2.594 0.281 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.843 -1.724 2.401 1.00 0.00 N ATOM 0 H ARG A 60 -11.423 -8.426 3.631 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.087 -6.362 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.440 -5.802 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.523 -7.250 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.515 -5.290 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.046 -6.436 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.638 -4.143 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.086 -5.098 0.346 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.409 -3.712 2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.943 -3.311 -0.415 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.786 -1.832 0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.411 -1.773 3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.483 -0.962 2.178 1.00 0.00 H new ATOM 956 N GLU A 61 -11.393 -7.496 -0.257 1.00 0.00 N ATOM 957 CA GLU A 61 -11.124 -8.082 -1.533 1.00 0.00 C ATOM 958 C GLU A 61 -9.683 -8.540 -1.603 1.00 0.00 C ATOM 959 O GLU A 61 -8.749 -7.775 -1.290 1.00 0.00 O ATOM 960 CB GLU A 61 -11.348 -7.024 -2.596 1.00 0.00 C ATOM 961 CG GLU A 61 -11.144 -7.496 -4.016 1.00 0.00 C ATOM 962 CD GLU A 61 -12.148 -8.513 -4.435 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.988 -9.690 -4.103 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.114 -8.154 -5.118 1.00 0.00 O ATOM 0 H GLU A 61 -11.831 -6.578 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.780 -8.939 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.364 -6.641 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.673 -6.190 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.197 -6.641 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.144 -7.918 -4.114 1.00 0.00 H new ATOM 971 N ASP A 62 -9.503 -9.756 -2.008 1.00 0.00 N ATOM 972 CA ASP A 62 -8.192 -10.305 -2.173 1.00 0.00 C ATOM 973 C ASP A 62 -7.672 -9.935 -3.536 1.00 0.00 C ATOM 974 O ASP A 62 -7.805 -10.690 -4.499 1.00 0.00 O ATOM 975 CB ASP A 62 -8.174 -11.836 -1.955 1.00 0.00 C ATOM 976 CG ASP A 62 -6.804 -12.487 -2.213 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.880 -12.331 -1.402 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.642 -13.185 -3.251 1.00 0.00 O ATOM 0 H ASP A 62 -10.261 -10.399 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.536 -9.882 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.480 -12.051 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.913 -12.295 -2.612 1.00 0.00 H new ATOM 983 N SER A 63 -7.239 -8.711 -3.658 1.00 0.00 N ATOM 984 CA SER A 63 -6.624 -8.270 -4.852 1.00 0.00 C ATOM 985 C SER A 63 -5.594 -7.233 -4.477 1.00 0.00 C ATOM 986 O SER A 63 -5.659 -6.690 -3.356 1.00 0.00 O ATOM 987 CB SER A 63 -7.692 -7.675 -5.785 1.00 0.00 C ATOM 988 OG SER A 63 -8.334 -6.562 -5.191 1.00 0.00 O ATOM 0 H SER A 63 -7.308 -8.002 -2.928 1.00 0.00 H new ATOM 0 HA SER A 63 -6.141 -9.094 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.229 -7.372 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.432 -8.438 -6.027 1.00 0.00 H new ATOM 0 HG SER A 63 -9.108 -6.303 -5.733 1.00 0.00 H new ATOM 994 N PRO A 64 -4.611 -6.930 -5.359 1.00 0.00 N ATOM 995 CA PRO A 64 -3.667 -5.853 -5.107 1.00 0.00 C ATOM 996 C PRO A 64 -4.440 -4.545 -4.975 1.00 0.00 C ATOM 997 O PRO A 64 -4.070 -3.662 -4.221 1.00 0.00 O ATOM 998 CB PRO A 64 -2.771 -5.848 -6.369 1.00 0.00 C ATOM 999 CG PRO A 64 -2.916 -7.214 -6.930 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.326 -7.629 -6.629 1.00 0.00 C ATOM 0 HA PRO A 64 -3.083 -5.975 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.093 -5.089 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.733 -5.629 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.727 -7.218 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.201 -7.901 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.013 -7.328 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.415 -8.710 -6.524 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.561 -4.490 -5.686 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.470 -3.375 -5.649 1.00 0.00 C ATOM 1010 C GLU A 65 -7.047 -3.236 -4.249 1.00 0.00 C ATOM 1011 O GLU A 65 -6.920 -2.196 -3.634 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.612 -3.602 -6.627 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.195 -3.834 -8.061 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.376 -4.161 -8.925 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.036 -3.239 -9.431 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.676 -5.367 -9.106 1.00 0.00 O ATOM 0 H GLU A 65 -5.859 -5.238 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.928 -2.470 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.192 -4.461 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.275 -2.737 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.696 -2.945 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.473 -4.649 -8.105 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.632 -4.326 -3.745 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.274 -4.328 -2.442 1.00 0.00 C ATOM 1025 C GLY A 66 -7.349 -3.953 -1.313 1.00 0.00 C ATOM 1026 O GLY A 66 -7.755 -3.298 -0.372 1.00 0.00 O ATOM 0 H GLY A 66 -7.670 -5.222 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.113 -3.633 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.685 -5.319 -2.250 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.111 -4.361 -1.412 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.099 -4.020 -0.416 1.00 0.00 C ATOM 1032 C ILE A 67 -4.904 -2.494 -0.345 1.00 0.00 C ATOM 1033 O ILE A 67 -4.919 -1.888 0.735 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.770 -4.741 -0.757 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.963 -6.259 -0.581 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.601 -4.214 0.084 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.794 -7.095 -1.033 1.00 0.00 C ATOM 0 H ILE A 67 -5.765 -4.938 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.433 -4.355 0.566 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.511 -4.533 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.157 -6.468 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.849 -6.566 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.689 -4.746 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.469 -3.149 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.813 -4.372 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.017 -8.150 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.610 -6.920 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.908 -6.821 -0.461 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.796 -1.896 -1.501 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.622 -0.462 -1.649 1.00 0.00 C ATOM 1051 C VAL A 68 -5.895 0.259 -1.251 1.00 0.00 C ATOM 1052 O VAL A 68 -5.871 1.302 -0.582 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.274 -0.151 -3.120 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.149 1.345 -3.374 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -2.996 -0.849 -3.454 1.00 0.00 C ATOM 0 H VAL A 68 -4.826 -2.396 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.815 -0.120 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.082 -0.507 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.903 1.517 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.094 1.834 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.360 1.756 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.729 -0.644 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.203 -0.490 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.122 -1.923 -3.318 1.00 0.00 H new ATOM 1065 N LYS A 69 -6.989 -0.329 -1.626 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.292 0.204 -1.383 1.00 0.00 C ATOM 1067 C LYS A 69 -8.594 0.188 0.119 1.00 0.00 C ATOM 1068 O LYS A 69 -9.199 1.118 0.630 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.304 -0.607 -2.203 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.538 0.152 -2.631 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.618 0.161 -1.601 1.00 0.00 C ATOM 1072 CE LYS A 69 -12.737 1.102 -2.057 1.00 0.00 C ATOM 1073 NZ LYS A 69 -13.995 0.963 -1.278 1.00 0.00 N ATOM 0 H LYS A 69 -6.999 -1.219 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.355 1.246 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.804 -0.988 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.614 -1.472 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.260 1.180 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.926 -0.289 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.009 -0.846 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.219 0.488 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.386 2.131 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.950 0.914 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.777 0.724 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.884 0.208 -0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.206 1.860 -0.796 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.129 -0.845 0.816 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.276 -0.940 2.271 1.00 0.00 C ATOM 1089 C GLU A 70 -7.543 0.241 2.910 1.00 0.00 C ATOM 1090 O GLU A 70 -8.112 0.973 3.721 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.693 -2.271 2.785 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.972 -2.567 4.259 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.444 -2.753 4.550 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.137 -1.770 4.812 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.943 -3.899 4.491 1.00 0.00 O ATOM 0 H GLU A 70 -7.642 -1.636 0.395 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.332 -0.910 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.097 -3.085 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.614 -2.263 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.432 -3.467 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.586 -1.750 4.869 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.290 0.441 2.487 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.478 1.562 2.925 1.00 0.00 C ATOM 1104 C ILE A 71 -6.168 2.897 2.652 1.00 0.00 C ATOM 1105 O ILE A 71 -6.182 3.785 3.512 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.073 1.521 2.255 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.228 0.503 2.978 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.377 2.883 2.293 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.973 0.140 2.269 1.00 0.00 C ATOM 0 H ILE A 71 -5.816 -0.177 1.829 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.349 1.472 4.004 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.200 1.250 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.976 0.892 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.819 -0.400 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.401 2.806 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.984 3.617 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.250 3.198 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.424 -0.597 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.215 -0.281 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.358 1.031 2.138 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.742 3.031 1.470 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.409 4.242 1.089 1.00 0.00 C ATOM 1123 C LYS A 72 -8.606 4.522 1.980 1.00 0.00 C ATOM 1124 O LYS A 72 -8.700 5.597 2.545 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.770 4.248 -0.419 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.236 4.034 -0.801 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.444 4.099 -2.311 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.131 5.499 -2.852 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.385 5.626 -4.297 1.00 0.00 N ATOM 0 H LYS A 72 -6.754 2.302 0.757 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.711 5.066 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.451 5.203 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.180 3.473 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.571 3.065 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.852 4.791 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.804 3.365 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.474 3.835 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.734 6.233 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.086 5.736 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.885 6.460 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.043 4.774 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.406 5.733 -4.462 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.453 3.523 2.154 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.689 3.651 2.924 1.00 0.00 C ATOM 1145 C GLU A 73 -10.420 3.896 4.388 1.00 0.00 C ATOM 1146 O GLU A 73 -11.055 4.748 5.006 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.547 2.408 2.762 1.00 0.00 C ATOM 1148 CG GLU A 73 -11.994 2.154 1.348 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.943 3.188 0.824 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.527 4.312 0.509 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.127 2.875 0.667 1.00 0.00 O ATOM 0 H GLU A 73 -9.306 2.592 1.765 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.223 4.516 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.986 1.543 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.426 2.500 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.118 2.115 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.472 1.176 1.297 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.478 3.166 4.936 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.134 3.289 6.331 1.00 0.00 C ATOM 1160 C TRP A 74 -8.601 4.686 6.621 1.00 0.00 C ATOM 1161 O TRP A 74 -9.092 5.379 7.514 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.111 2.233 6.698 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.749 2.193 8.143 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.423 1.552 9.128 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.611 2.800 8.761 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.771 1.711 10.318 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.656 2.471 10.118 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.559 3.589 8.290 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.687 2.889 11.016 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.595 4.010 9.173 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.661 3.655 10.528 1.00 0.00 C ATOM 0 H TRP A 74 -8.930 2.472 4.428 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.026 3.136 6.938 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.497 1.256 6.407 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.206 2.405 6.115 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.340 0.997 8.993 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.070 1.323 11.213 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.504 3.864 7.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.738 2.621 12.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.777 4.621 8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.887 3.992 11.201 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.646 5.132 5.823 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.070 6.451 6.016 1.00 0.00 C ATOM 1184 C ARG A 75 -8.109 7.526 5.726 1.00 0.00 C ATOM 1185 O ARG A 75 -8.108 8.593 6.347 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.820 6.632 5.167 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.736 5.619 5.504 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.491 5.823 4.682 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.798 6.006 3.264 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.209 6.914 2.482 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.352 7.788 3.003 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.511 6.982 1.196 1.00 0.00 N ATOM 0 H ARG A 75 -7.256 4.605 5.042 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.765 6.550 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.084 6.540 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.429 7.639 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.487 5.695 6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.118 4.612 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.950 6.694 5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.831 4.964 4.803 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.506 5.402 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.144 7.765 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.903 8.481 2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.196 6.339 0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.059 7.677 0.602 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.034 7.199 4.833 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.142 8.068 4.479 1.00 0.00 C ATOM 1208 C ALA A 76 -11.107 8.225 5.658 1.00 0.00 C ATOM 1209 O ALA A 76 -11.696 9.278 5.847 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.888 7.516 3.253 1.00 0.00 C ATOM 0 H ALA A 76 -9.033 6.312 4.330 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.738 9.049 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.715 8.180 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.203 7.454 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.276 6.523 3.480 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.211 7.188 6.477 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.137 7.178 7.593 1.00 0.00 C ATOM 1218 C ALA A 77 -11.506 7.884 8.743 1.00 0.00 C ATOM 1219 O ALA A 77 -12.144 8.638 9.471 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.480 5.749 7.989 1.00 0.00 C ATOM 0 H ALA A 77 -10.658 6.336 6.385 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.059 7.683 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.176 5.761 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.940 5.238 7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.570 5.224 8.280 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.223 7.653 8.869 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.429 8.212 9.920 1.00 0.00 C ATOM 1228 C ASN A 78 -9.294 9.715 9.791 1.00 0.00 C ATOM 1229 O ASN A 78 -9.290 10.439 10.789 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.033 7.579 9.942 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.945 6.172 10.529 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.933 5.825 11.099 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.956 5.368 10.387 1.00 0.00 N ATOM 0 H ASN A 78 -9.697 7.059 8.228 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.945 7.993 10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.653 7.550 8.921 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.369 8.231 10.510 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.910 4.420 10.760 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.796 5.685 9.903 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.213 10.185 8.575 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.978 11.587 8.351 1.00 0.00 C ATOM 1242 C GLY A 79 -7.508 11.815 8.135 1.00 0.00 C ATOM 1243 O GLY A 79 -6.934 12.803 8.583 1.00 0.00 O ATOM 0 H GLY A 79 -9.305 9.623 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.542 11.928 7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.326 12.167 9.206 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.898 10.856 7.486 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.516 10.881 7.176 1.00 0.00 C ATOM 1249 C LYS A 80 -5.335 11.331 5.740 1.00 0.00 C ATOM 1250 O LYS A 80 -6.312 11.728 5.083 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.939 9.498 7.392 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.781 9.118 8.859 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.361 7.676 8.999 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.857 7.339 10.410 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.865 7.471 11.496 1.00 0.00 N ATOM 0 H LYS A 80 -7.375 10.018 7.155 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.991 11.582 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.583 8.766 6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.966 9.441 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.039 9.764 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.722 9.279 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.205 7.031 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.575 7.459 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.481 6.316 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.012 7.988 10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.387 7.440 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.366 8.377 11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.547 6.689 11.433 1.00 0.00 H new ATOM 1269 N SER A 81 -4.131 11.238 5.242 1.00 0.00 N ATOM 1270 CA SER A 81 -3.819 11.692 3.916 1.00 0.00 C ATOM 1271 C SER A 81 -4.357 10.675 2.881 1.00 0.00 C ATOM 1272 O SER A 81 -4.903 9.626 3.259 1.00 0.00 O ATOM 1273 CB SER A 81 -2.308 11.867 3.814 1.00 0.00 C ATOM 1274 OG SER A 81 -1.952 12.796 2.803 1.00 0.00 O ATOM 0 H SER A 81 -3.337 10.844 5.747 1.00 0.00 H new ATOM 0 HA SER A 81 -4.295 12.650 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.916 12.206 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.844 10.904 3.602 1.00 0.00 H new ATOM 0 HG SER A 81 -2.004 12.361 1.926 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.186 10.952 1.600 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.777 10.080 0.600 1.00 0.00 C ATOM 1282 C GLY A 82 -3.788 9.666 -0.451 1.00 0.00 C ATOM 1283 O GLY A 82 -2.630 9.345 -0.127 1.00 0.00 O ATOM 0 H GLY A 82 -3.661 11.747 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.179 9.192 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.615 10.590 0.126 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.232 9.587 -1.666 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.391 9.387 -2.785 1.00 0.00 C ATOM 1289 C PHE A 83 -3.543 10.590 -3.676 1.00 0.00 C ATOM 1290 O PHE A 83 -4.391 11.460 -3.414 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.767 8.115 -3.561 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.619 6.845 -2.772 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.378 6.475 -2.311 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.712 6.024 -2.478 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.209 5.331 -1.582 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.534 4.869 -1.740 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.279 4.525 -1.294 1.00 0.00 C ATOM 0 H PHE A 83 -5.221 9.663 -1.905 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.361 9.263 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.800 8.201 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.144 8.050 -4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.523 7.098 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.698 6.293 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.224 5.060 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.380 4.237 -1.514 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.137 3.622 -0.718 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.733 10.676 -4.668 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.854 11.705 -5.630 1.00 0.00 C ATOM 1309 C LYS A 84 -3.934 11.299 -6.584 1.00 0.00 C ATOM 1310 O LYS A 84 -3.969 10.162 -7.061 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.532 11.913 -6.338 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.512 13.026 -7.370 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.103 13.264 -7.900 1.00 0.00 C ATOM 1314 CE LYS A 84 0.432 12.076 -8.681 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.817 12.275 -9.117 1.00 0.00 N ATOM 0 H LYS A 84 -1.963 10.029 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.116 12.654 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.768 12.121 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.252 10.981 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.175 12.771 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.896 13.944 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.103 14.146 -8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.565 13.477 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.373 11.181 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.200 11.903 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.003 11.692 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.967 13.277 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.465 11.997 -8.353 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.805 12.192 -6.819 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.927 11.992 -7.622 1.00 0.00 C ATOM 1331 C GLN A 85 -5.536 12.044 -9.088 1.00 0.00 C ATOM 1332 O GLN A 85 -5.305 13.122 -9.658 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.901 13.070 -7.257 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.381 12.969 -5.820 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.928 14.267 -5.296 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -9.117 14.566 -5.423 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.068 15.054 -4.705 1.00 0.00 N ATOM 0 H GLN A 85 -4.748 13.134 -6.433 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.377 11.012 -7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.434 14.043 -7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.760 13.019 -7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.152 12.201 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.554 12.647 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.092 14.770 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.373 15.952 -4.329 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.397 10.897 -9.668 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.034 10.794 -11.042 1.00 0.00 C ATOM 1348 C GLY A 86 -5.372 9.437 -11.546 1.00 0.00 C ATOM 1349 O GLY A 86 -6.494 9.239 -12.049 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.565 8.530 -11.393 1.00 0.00 O ATOM 0 H GLY A 86 -5.533 10.001 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.559 11.551 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.967 10.982 -11.162 1.00 0.00 H new