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 4 LYS NZ :NH3+ 160:sc= 1.34 (180deg=1.12) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.217 USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.746 K(o=0.75,f=-5.9!) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.00512 USER MOD Single : A 8 SER OG : rot -20:sc= 0.444 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.14) USER MOD Single : A 21 LYS NZ :NH3+ -142:sc= 0 (180deg=-1) USER MOD Single : A 23 CYS SG : rot 68:sc= 1.19 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.892 USER MOD Single : A 34 ASN : amide:sc= 1.02 K(o=1,f=-5.1!) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0427) USER MOD Single : A 44 THR OG1 : rot -143:sc= -2.46! USER MOD Single : A 46 HIS : no HD1:sc= -0.995 K(o=-1,f=-6.3!) USER MOD Single : A 50 SER OG : rot 140:sc= 0.83 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -165:sc= 1.11 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.162 (180deg=-0.807) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= -1.03 (180deg=-1.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.415 F(o=-1.6,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.572 9.981 -4.661 1.00 0.00 N ATOM 36 CA LYS A 4 8.414 10.648 -4.131 1.00 0.00 C ATOM 37 C LYS A 4 8.695 11.336 -2.811 1.00 0.00 C ATOM 38 O LYS A 4 9.734 11.099 -2.187 1.00 0.00 O ATOM 39 CB LYS A 4 7.276 9.636 -3.993 1.00 0.00 C ATOM 40 CG LYS A 4 7.684 8.276 -3.420 1.00 0.00 C ATOM 41 CD LYS A 4 8.041 8.301 -1.945 1.00 0.00 C ATOM 42 CE LYS A 4 8.088 6.894 -1.373 1.00 0.00 C ATOM 43 NZ LYS A 4 8.955 5.969 -2.141 1.00 0.00 N ATOM 0 HA LYS A 4 8.125 11.436 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.504 10.065 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.828 9.480 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.867 7.571 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.539 7.900 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.008 8.785 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.308 8.895 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.443 6.941 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.076 6.489 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.215 5.159 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.443 5.629 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.816 6.469 -2.440 1.00 0.00 H new ATOM 57 N HIS A 5 7.779 12.179 -2.381 1.00 0.00 N ATOM 58 CA HIS A 5 7.929 12.834 -1.097 1.00 0.00 C ATOM 59 C HIS A 5 7.101 12.137 -0.005 1.00 0.00 C ATOM 60 O HIS A 5 7.471 12.174 1.165 1.00 0.00 O ATOM 61 CB HIS A 5 7.612 14.356 -1.166 1.00 0.00 C ATOM 62 CG HIS A 5 6.170 14.720 -1.406 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.527 14.547 -2.594 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.243 15.233 -0.556 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.273 14.929 -2.457 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.032 15.364 -1.231 1.00 0.00 N ATOM 0 H HIS A 5 6.932 12.425 -2.894 1.00 0.00 H new ATOM 0 HA HIS A 5 8.980 12.744 -0.823 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.931 14.816 -0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.214 14.797 -1.960 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.947 14.182 -3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.417 15.497 0.477 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.536 14.892 -3.245 1.00 0.00 H new ATOM 74 N SER A 6 6.003 11.476 -0.385 1.00 0.00 N ATOM 75 CA SER A 6 5.124 10.840 0.599 1.00 0.00 C ATOM 76 C SER A 6 4.134 9.913 -0.095 1.00 0.00 C ATOM 77 O SER A 6 4.236 9.691 -1.300 1.00 0.00 O ATOM 78 CB SER A 6 4.340 11.929 1.338 1.00 0.00 C ATOM 79 OG SER A 6 3.493 12.635 0.435 1.00 0.00 O ATOM 0 H SER A 6 5.705 11.368 -1.355 1.00 0.00 H new ATOM 0 HA SER A 6 5.730 10.261 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.742 11.480 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.032 12.623 1.815 1.00 0.00 H new ATOM 0 HG SER A 6 2.998 13.326 0.923 1.00 0.00 H new ATOM 85 N ILE A 7 3.167 9.400 0.673 1.00 0.00 N ATOM 86 CA ILE A 7 2.074 8.586 0.147 1.00 0.00 C ATOM 87 C ILE A 7 1.165 9.443 -0.747 1.00 0.00 C ATOM 88 O ILE A 7 0.603 8.964 -1.718 1.00 0.00 O ATOM 89 CB ILE A 7 1.225 7.945 1.308 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.078 7.093 0.755 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.682 9.008 2.263 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.715 6.371 1.825 1.00 0.00 C ATOM 0 H ILE A 7 3.123 9.541 1.682 1.00 0.00 H new ATOM 0 HA ILE A 7 2.510 7.778 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 7 1.896 7.296 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.596 7.733 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.485 6.359 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.102 8.527 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.513 9.556 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.044 9.700 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.509 5.789 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.055 5.705 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.152 7.100 2.508 1.00 0.00 H new ATOM 104 N SER A 8 1.099 10.733 -0.448 1.00 0.00 N ATOM 105 CA SER A 8 0.230 11.633 -1.163 1.00 0.00 C ATOM 106 C SER A 8 0.905 12.139 -2.446 1.00 0.00 C ATOM 107 O SER A 8 0.317 12.918 -3.203 1.00 0.00 O ATOM 108 CB SER A 8 -0.229 12.786 -0.238 1.00 0.00 C ATOM 109 OG SER A 8 -1.091 13.701 -0.905 1.00 0.00 O ATOM 0 H SER A 8 1.645 11.174 0.292 1.00 0.00 H new ATOM 0 HA SER A 8 -0.665 11.093 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.744 12.371 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.645 13.320 0.135 1.00 0.00 H new ATOM 0 HG SER A 8 -0.979 13.609 -1.874 1.00 0.00 H new ATOM 115 N ASP A 9 2.149 11.714 -2.663 1.00 0.00 N ATOM 116 CA ASP A 9 2.854 12.001 -3.919 1.00 0.00 C ATOM 117 C ASP A 9 2.288 11.075 -4.963 1.00 0.00 C ATOM 118 O ASP A 9 2.084 11.443 -6.123 1.00 0.00 O ATOM 119 CB ASP A 9 4.348 11.696 -3.768 1.00 0.00 C ATOM 120 CG ASP A 9 5.212 12.164 -4.936 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.115 11.628 -6.043 1.00 0.00 O ATOM 122 OD2 ASP A 9 6.065 13.054 -4.719 1.00 0.00 O ATOM 0 H ASP A 9 2.691 11.171 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 9 2.730 13.050 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.711 12.165 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.476 10.620 -3.647 1.00 0.00 H new ATOM 127 N TYR A 10 1.980 9.883 -4.498 1.00 0.00 N ATOM 128 CA TYR A 10 1.466 8.824 -5.310 1.00 0.00 C ATOM 129 C TYR A 10 0.058 9.097 -5.689 1.00 0.00 C ATOM 130 O TYR A 10 -0.715 9.701 -4.922 1.00 0.00 O ATOM 131 CB TYR A 10 1.480 7.482 -4.555 1.00 0.00 C ATOM 132 CG TYR A 10 2.827 6.869 -4.323 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.684 7.354 -3.357 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.244 5.783 -5.079 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.895 6.791 -3.155 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.473 5.208 -4.875 1.00 0.00 C ATOM 137 CZ TYR A 10 5.298 5.719 -3.911 1.00 0.00 C ATOM 138 OH TYR A 10 6.545 5.167 -3.702 1.00 0.00 O ATOM 0 H TYR A 10 2.087 9.627 -3.517 1.00 0.00 H new ATOM 0 HA TYR A 10 2.104 8.766 -6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.998 7.628 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.870 6.770 -5.111 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.382 8.197 -2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.591 5.384 -5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.550 7.187 -2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.785 4.362 -5.469 1.00 0.00 H new ATOM 0 HH TYR A 10 6.677 4.415 -4.317 1.00 0.00 H new ATOM 148 N THR A 11 -0.285 8.684 -6.851 1.00 0.00 N ATOM 149 CA THR A 11 -1.629 8.684 -7.227 1.00 0.00 C ATOM 150 C THR A 11 -2.196 7.381 -6.755 1.00 0.00 C ATOM 151 O THR A 11 -1.425 6.471 -6.368 1.00 0.00 O ATOM 152 CB THR A 11 -1.794 8.808 -8.751 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.007 7.795 -9.400 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.364 10.182 -9.237 1.00 0.00 C ATOM 0 H THR A 11 0.363 8.339 -7.560 1.00 0.00 H new ATOM 0 HA THR A 11 -2.145 9.538 -6.788 1.00 0.00 H new ATOM 0 HB THR A 11 -2.847 8.674 -8.998 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.112 7.871 -10.371 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.491 10.242 -10.318 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.976 10.946 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.316 10.345 -8.985 1.00 0.00 H new ATOM 162 N GLU A 12 -3.495 7.276 -6.758 1.00 0.00 N ATOM 163 CA GLU A 12 -4.164 6.061 -6.377 1.00 0.00 C ATOM 164 C GLU A 12 -3.611 4.899 -7.210 1.00 0.00 C ATOM 165 O GLU A 12 -3.279 3.857 -6.677 1.00 0.00 O ATOM 166 CB GLU A 12 -5.649 6.216 -6.613 1.00 0.00 C ATOM 167 CG GLU A 12 -6.481 5.050 -6.160 1.00 0.00 C ATOM 168 CD GLU A 12 -7.909 5.227 -6.551 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.617 6.002 -5.905 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.352 4.608 -7.527 1.00 0.00 O ATOM 0 H GLU A 12 -4.124 8.033 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.993 5.854 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.993 7.113 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.819 6.375 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.092 4.130 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.407 4.945 -5.078 1.00 0.00 H new ATOM 177 N ALA A 13 -3.438 5.145 -8.502 1.00 0.00 N ATOM 178 CA ALA A 13 -2.914 4.153 -9.424 1.00 0.00 C ATOM 179 C ALA A 13 -1.461 3.775 -9.098 1.00 0.00 C ATOM 180 O ALA A 13 -1.138 2.595 -9.048 1.00 0.00 O ATOM 181 CB ALA A 13 -3.037 4.638 -10.862 1.00 0.00 C ATOM 0 H ALA A 13 -3.658 6.040 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.515 3.251 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.639 3.880 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.086 4.818 -11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.474 5.564 -10.983 1.00 0.00 H new ATOM 187 N GLU A 14 -0.600 4.767 -8.855 1.00 0.00 N ATOM 188 CA GLU A 14 0.821 4.497 -8.538 1.00 0.00 C ATOM 189 C GLU A 14 0.982 3.794 -7.220 1.00 0.00 C ATOM 190 O GLU A 14 1.833 2.922 -7.067 1.00 0.00 O ATOM 191 CB GLU A 14 1.668 5.765 -8.575 1.00 0.00 C ATOM 192 CG GLU A 14 1.880 6.312 -9.964 1.00 0.00 C ATOM 193 CD GLU A 14 2.624 5.340 -10.837 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.873 5.349 -10.825 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.984 4.551 -11.556 1.00 0.00 O ATOM 0 H GLU A 14 -0.850 5.756 -8.869 1.00 0.00 H new ATOM 0 HA GLU A 14 1.184 3.830 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.189 6.529 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.638 5.557 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.915 6.542 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.436 7.248 -9.906 1.00 0.00 H new ATOM 202 N PHE A 15 0.172 4.147 -6.278 1.00 0.00 N ATOM 203 CA PHE A 15 0.192 3.493 -5.003 1.00 0.00 C ATOM 204 C PHE A 15 -0.374 2.111 -5.147 1.00 0.00 C ATOM 205 O PHE A 15 0.041 1.203 -4.491 1.00 0.00 O ATOM 206 CB PHE A 15 -0.560 4.298 -3.967 1.00 0.00 C ATOM 207 CG PHE A 15 -0.479 3.717 -2.606 1.00 0.00 C ATOM 208 CD1 PHE A 15 -1.387 2.762 -2.201 1.00 0.00 C ATOM 209 CD2 PHE A 15 0.502 4.122 -1.728 1.00 0.00 C ATOM 210 CE1 PHE A 15 -1.328 2.225 -0.959 1.00 0.00 C ATOM 211 CE2 PHE A 15 0.567 3.585 -0.473 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.354 2.634 -0.090 1.00 0.00 C ATOM 0 H PHE A 15 -0.520 4.891 -6.364 1.00 0.00 H new ATOM 0 HA PHE A 15 1.222 3.415 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.163 5.313 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.607 4.371 -4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.157 2.437 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.222 4.867 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.046 1.478 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.336 3.904 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.306 2.209 0.902 1.00 0.00 H new ATOM 222 N LEU A 16 -1.296 1.954 -6.014 1.00 0.00 N ATOM 223 CA LEU A 16 -1.870 0.658 -6.258 1.00 0.00 C ATOM 224 C LEU A 16 -0.853 -0.255 -6.948 1.00 0.00 C ATOM 225 O LEU A 16 -0.948 -1.475 -6.914 1.00 0.00 O ATOM 226 CB LEU A 16 -3.200 0.833 -6.990 1.00 0.00 C ATOM 227 CG LEU A 16 -4.024 -0.384 -7.207 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.470 -0.015 -7.283 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.665 -1.039 -8.469 1.00 0.00 C ATOM 0 H LEU A 16 -1.685 2.707 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.107 0.144 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.800 1.551 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.993 1.278 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.840 -1.060 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.067 -0.913 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.773 0.462 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.626 0.676 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.281 -1.927 -8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.832 -0.350 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.614 -1.327 -8.443 1.00 0.00 H new ATOM 241 N GLU A 17 0.109 0.349 -7.518 1.00 0.00 N ATOM 242 CA GLU A 17 1.235 -0.350 -8.045 1.00 0.00 C ATOM 243 C GLU A 17 2.216 -0.735 -6.911 1.00 0.00 C ATOM 244 O GLU A 17 2.989 -1.665 -7.077 1.00 0.00 O ATOM 245 CB GLU A 17 1.935 0.435 -9.147 1.00 0.00 C ATOM 246 CG GLU A 17 1.072 0.678 -10.376 1.00 0.00 C ATOM 247 CD GLU A 17 0.573 -0.607 -10.998 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.383 -1.339 -11.610 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.648 -0.895 -10.915 1.00 0.00 O ATOM 0 H GLU A 17 0.150 1.361 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 17 0.867 -1.267 -8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.257 1.396 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.834 -0.103 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.220 1.299 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.647 1.236 -11.115 1.00 0.00 H new ATOM 256 N PHE A 18 2.128 -0.033 -5.728 1.00 0.00 N ATOM 257 CA PHE A 18 3.019 -0.310 -4.541 1.00 0.00 C ATOM 258 C PHE A 18 2.929 -1.753 -4.234 1.00 0.00 C ATOM 259 O PHE A 18 3.920 -2.470 -4.177 1.00 0.00 O ATOM 260 CB PHE A 18 2.610 0.528 -3.207 1.00 0.00 C ATOM 261 CG PHE A 18 1.839 -0.225 -2.014 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.438 -0.347 -1.983 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.539 -0.797 -0.944 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.218 -1.018 -0.922 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.877 -1.454 0.096 1.00 0.00 C ATOM 266 CZ PHE A 18 0.512 -1.561 0.100 1.00 0.00 C ATOM 0 H PHE A 18 1.457 0.720 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 18 4.028 0.001 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.525 0.950 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.988 1.365 -3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.149 0.079 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.617 -0.728 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.295 -1.101 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.448 -1.882 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.012 -2.073 0.909 1.00 0.00 H new ATOM 276 N VAL A 19 1.721 -2.169 -4.148 1.00 0.00 N ATOM 277 CA VAL A 19 1.386 -3.477 -3.730 1.00 0.00 C ATOM 278 C VAL A 19 1.721 -4.508 -4.789 1.00 0.00 C ATOM 279 O VAL A 19 2.213 -5.584 -4.471 1.00 0.00 O ATOM 280 CB VAL A 19 -0.095 -3.542 -3.285 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.035 -3.165 -4.392 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.438 -4.871 -2.664 1.00 0.00 C ATOM 0 H VAL A 19 0.912 -1.590 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 19 1.998 -3.726 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.226 -2.792 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.062 -3.225 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.824 -2.147 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.903 -3.849 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.486 -4.874 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.265 -5.667 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.189 -5.036 -1.787 1.00 0.00 H new ATOM 292 N LYS A 20 1.507 -4.159 -6.030 1.00 0.00 N ATOM 293 CA LYS A 20 1.798 -5.055 -7.126 1.00 0.00 C ATOM 294 C LYS A 20 3.306 -5.318 -7.232 1.00 0.00 C ATOM 295 O LYS A 20 3.731 -6.445 -7.509 1.00 0.00 O ATOM 296 CB LYS A 20 1.294 -4.484 -8.417 1.00 0.00 C ATOM 297 CG LYS A 20 -0.194 -4.360 -8.465 1.00 0.00 C ATOM 298 CD LYS A 20 -0.614 -3.816 -9.775 1.00 0.00 C ATOM 299 CE LYS A 20 -2.094 -3.623 -9.884 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.447 -2.952 -11.150 1.00 0.00 N ATOM 0 H LYS A 20 1.129 -3.254 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 20 1.291 -6.000 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.739 -3.501 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.626 -5.116 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.654 -5.335 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.539 -3.707 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.116 -2.861 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.283 -4.490 -10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.596 -4.589 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.450 -3.030 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.425 -2.602 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.802 -2.152 -11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.363 -3.628 -11.936 1.00 0.00 H new ATOM 314 N LYS A 21 4.111 -4.282 -6.991 1.00 0.00 N ATOM 315 CA LYS A 21 5.568 -4.427 -7.008 1.00 0.00 C ATOM 316 C LYS A 21 6.001 -5.346 -5.884 1.00 0.00 C ATOM 317 O LYS A 21 6.895 -6.151 -6.051 1.00 0.00 O ATOM 318 CB LYS A 21 6.292 -3.073 -6.883 1.00 0.00 C ATOM 319 CG LYS A 21 5.938 -2.061 -7.966 1.00 0.00 C ATOM 320 CD LYS A 21 6.745 -0.762 -7.838 1.00 0.00 C ATOM 321 CE LYS A 21 6.663 -0.159 -6.435 1.00 0.00 C ATOM 322 NZ LYS A 21 7.300 1.175 -6.368 1.00 0.00 N ATOM 0 H LYS A 21 3.782 -3.339 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 21 5.844 -4.856 -7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.059 -2.640 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.368 -3.248 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.119 -2.503 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.874 -1.831 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.788 -0.960 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.378 -0.037 -8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.618 -0.077 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.147 -0.828 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.797 1.277 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.980 1.275 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.571 1.912 -6.448 1.00 0.00 H new ATOM 336 N ILE A 22 5.327 -5.243 -4.749 1.00 0.00 N ATOM 337 CA ILE A 22 5.622 -6.104 -3.610 1.00 0.00 C ATOM 338 C ILE A 22 5.227 -7.543 -3.937 1.00 0.00 C ATOM 339 O ILE A 22 5.901 -8.487 -3.562 1.00 0.00 O ATOM 340 CB ILE A 22 4.892 -5.644 -2.328 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.213 -4.178 -2.048 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.316 -6.517 -1.149 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.532 -3.612 -0.837 1.00 0.00 C ATOM 0 H ILE A 22 4.573 -4.574 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 22 6.693 -6.042 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 22 3.816 -5.746 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.291 -4.072 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.931 -3.585 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.798 -6.188 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.060 -7.556 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.392 -6.431 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.817 -2.567 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.451 -3.681 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.832 -4.176 0.046 1.00 0.00 H new ATOM 355 N CYS A 23 4.157 -7.691 -4.686 1.00 0.00 N ATOM 356 CA CYS A 23 3.693 -8.984 -5.118 1.00 0.00 C ATOM 357 C CYS A 23 4.778 -9.713 -5.941 1.00 0.00 C ATOM 358 O CYS A 23 4.917 -10.924 -5.854 1.00 0.00 O ATOM 359 CB CYS A 23 2.390 -8.828 -5.906 1.00 0.00 C ATOM 360 SG CYS A 23 1.003 -8.198 -4.931 1.00 0.00 S ATOM 0 H CYS A 23 3.584 -6.913 -5.012 1.00 0.00 H new ATOM 0 HA CYS A 23 3.490 -9.602 -4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.565 -8.155 -6.745 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.114 -9.796 -6.326 1.00 0.00 H new ATOM 0 HG CYS A 23 1.237 -6.966 -4.589 1.00 0.00 H new ATOM 366 N ARG A 24 5.581 -8.963 -6.680 1.00 0.00 N ATOM 367 CA ARG A 24 6.642 -9.557 -7.483 1.00 0.00 C ATOM 368 C ARG A 24 8.018 -9.455 -6.785 1.00 0.00 C ATOM 369 O ARG A 24 9.039 -9.848 -7.348 1.00 0.00 O ATOM 370 CB ARG A 24 6.696 -8.933 -8.884 1.00 0.00 C ATOM 371 CG ARG A 24 7.172 -7.498 -8.932 1.00 0.00 C ATOM 372 CD ARG A 24 7.160 -6.983 -10.348 1.00 0.00 C ATOM 373 NE ARG A 24 7.808 -5.668 -10.464 1.00 0.00 N ATOM 374 CZ ARG A 24 7.439 -4.690 -11.303 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.287 -4.773 -11.973 1.00 0.00 N ATOM 376 NH2 ARG A 24 8.200 -3.607 -11.430 1.00 0.00 N ATOM 0 H ARG A 24 5.520 -7.947 -6.741 1.00 0.00 H new ATOM 0 HA ARG A 24 6.405 -10.615 -7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.353 -9.538 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.701 -8.984 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.531 -6.875 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.180 -7.430 -8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.669 -7.696 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.130 -6.911 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 24 8.605 -5.485 -9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.682 -5.584 -11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.012 -4.025 -12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.061 -3.523 -10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.923 -2.861 -12.067 1.00 0.00 H new ATOM 390 N ALA A 25 8.028 -8.979 -5.544 1.00 0.00 N ATOM 391 CA ALA A 25 9.276 -8.702 -4.810 1.00 0.00 C ATOM 392 C ALA A 25 9.853 -9.937 -4.113 1.00 0.00 C ATOM 393 O ALA A 25 10.755 -9.838 -3.291 1.00 0.00 O ATOM 394 CB ALA A 25 9.055 -7.581 -3.817 1.00 0.00 C ATOM 0 H ALA A 25 7.181 -8.773 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 25 10.017 -8.396 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.982 -7.383 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.744 -6.681 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.279 -7.871 -3.108 1.00 0.00 H new ATOM 400 N GLU A 26 9.382 -11.096 -4.503 1.00 0.00 N ATOM 401 CA GLU A 26 9.879 -12.355 -3.964 1.00 0.00 C ATOM 402 C GLU A 26 11.103 -12.821 -4.768 1.00 0.00 C ATOM 403 O GLU A 26 11.598 -13.942 -4.598 1.00 0.00 O ATOM 404 CB GLU A 26 8.770 -13.416 -4.007 1.00 0.00 C ATOM 405 CG GLU A 26 8.194 -13.669 -5.395 1.00 0.00 C ATOM 406 CD GLU A 26 7.159 -14.758 -5.387 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.526 -15.945 -5.440 1.00 0.00 O ATOM 408 OE2 GLU A 26 5.955 -14.461 -5.308 1.00 0.00 O ATOM 0 H GLU A 26 8.645 -11.202 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 26 10.180 -12.208 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.165 -14.353 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.963 -13.107 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.749 -12.750 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.000 -13.940 -6.078 1.00 0.00 H new ATOM 415 N GLY A 27 11.582 -11.921 -5.624 1.00 0.00 N ATOM 416 CA GLY A 27 12.676 -12.178 -6.525 1.00 0.00 C ATOM 417 C GLY A 27 13.950 -12.603 -5.844 1.00 0.00 C ATOM 418 O GLY A 27 14.360 -13.768 -5.941 1.00 0.00 O ATOM 0 H GLY A 27 11.205 -10.977 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.377 -12.954 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.871 -11.278 -7.107 1.00 0.00 H new ATOM 422 N ALA A 28 14.592 -11.664 -5.176 1.00 0.00 N ATOM 423 CA ALA A 28 15.830 -11.943 -4.480 1.00 0.00 C ATOM 424 C ALA A 28 15.561 -12.850 -3.290 1.00 0.00 C ATOM 425 O ALA A 28 15.926 -14.024 -3.294 1.00 0.00 O ATOM 426 CB ALA A 28 16.501 -10.646 -4.040 1.00 0.00 C ATOM 0 H ALA A 28 14.274 -10.698 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 28 16.511 -12.456 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.430 -10.876 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.718 -10.034 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.835 -10.100 -3.371 1.00 0.00 H new ATOM 432 N THR A 29 14.879 -12.309 -2.321 1.00 0.00 N ATOM 433 CA THR A 29 14.510 -12.998 -1.107 1.00 0.00 C ATOM 434 C THR A 29 13.388 -12.137 -0.527 1.00 0.00 C ATOM 435 O THR A 29 13.104 -11.076 -1.100 1.00 0.00 O ATOM 436 CB THR A 29 15.696 -13.042 -0.065 1.00 0.00 C ATOM 437 OG1 THR A 29 16.975 -13.124 -0.726 1.00 0.00 O ATOM 438 CG2 THR A 29 15.563 -14.262 0.836 1.00 0.00 C ATOM 0 H THR A 29 14.551 -11.344 -2.351 1.00 0.00 H new ATOM 0 HA THR A 29 14.232 -14.032 -1.310 1.00 0.00 H new ATOM 0 HB THR A 29 15.642 -12.123 0.518 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.533 -12.366 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.387 -14.279 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.617 -14.214 1.376 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.589 -15.167 0.229 1.00 0.00 H new ATOM 446 N GLU A 30 12.787 -12.536 0.588 1.00 0.00 N ATOM 447 CA GLU A 30 11.729 -11.750 1.247 1.00 0.00 C ATOM 448 C GLU A 30 12.221 -10.361 1.691 1.00 0.00 C ATOM 449 O GLU A 30 11.423 -9.470 1.994 1.00 0.00 O ATOM 450 CB GLU A 30 11.140 -12.524 2.419 1.00 0.00 C ATOM 451 CG GLU A 30 12.168 -13.043 3.397 1.00 0.00 C ATOM 452 CD GLU A 30 11.547 -13.766 4.549 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.033 -14.879 4.360 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.561 -13.232 5.678 1.00 0.00 O ATOM 0 H GLU A 30 13.012 -13.409 1.066 1.00 0.00 H new ATOM 0 HA GLU A 30 10.944 -11.582 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.441 -11.879 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.565 -13.366 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.853 -13.713 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.761 -12.209 3.772 1.00 0.00 H new ATOM 461 N GLU A 31 13.538 -10.194 1.720 1.00 0.00 N ATOM 462 CA GLU A 31 14.174 -8.914 2.003 1.00 0.00 C ATOM 463 C GLU A 31 13.756 -7.880 0.946 1.00 0.00 C ATOM 464 O GLU A 31 13.622 -6.686 1.240 1.00 0.00 O ATOM 465 CB GLU A 31 15.706 -9.074 1.978 1.00 0.00 C ATOM 466 CG GLU A 31 16.271 -9.419 0.595 1.00 0.00 C ATOM 467 CD GLU A 31 17.739 -9.688 0.598 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.529 -8.755 0.868 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.138 -10.849 0.337 1.00 0.00 O ATOM 0 H GLU A 31 14.200 -10.950 1.546 1.00 0.00 H new ATOM 0 HA GLU A 31 13.860 -8.574 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.164 -8.148 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.992 -9.856 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.751 -10.295 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.063 -8.596 -0.089 1.00 0.00 H new ATOM 476 N ASP A 32 13.510 -8.366 -0.274 1.00 0.00 N ATOM 477 CA ASP A 32 13.174 -7.515 -1.393 1.00 0.00 C ATOM 478 C ASP A 32 11.739 -7.041 -1.249 1.00 0.00 C ATOM 479 O ASP A 32 11.396 -5.917 -1.643 1.00 0.00 O ATOM 480 CB ASP A 32 13.427 -8.241 -2.736 1.00 0.00 C ATOM 481 CG ASP A 32 13.274 -7.337 -3.938 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.975 -6.304 -4.018 1.00 0.00 O ATOM 483 OD2 ASP A 32 12.519 -7.667 -4.858 1.00 0.00 O ATOM 0 H ASP A 32 13.541 -9.360 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 32 13.820 -6.637 -1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.433 -8.661 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.733 -9.076 -2.827 1.00 0.00 H new ATOM 488 N ASP A 33 10.912 -7.890 -0.635 1.00 0.00 N ATOM 489 CA ASP A 33 9.531 -7.528 -0.295 1.00 0.00 C ATOM 490 C ASP A 33 9.566 -6.480 0.768 1.00 0.00 C ATOM 491 O ASP A 33 9.071 -5.364 0.597 1.00 0.00 O ATOM 492 CB ASP A 33 8.726 -8.700 0.321 1.00 0.00 C ATOM 493 CG ASP A 33 8.456 -9.885 -0.552 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.570 -9.810 -1.410 1.00 0.00 O ATOM 495 OD2 ASP A 33 9.030 -10.958 -0.297 1.00 0.00 O ATOM 0 H ASP A 33 11.175 -8.837 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 33 9.060 -7.209 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.261 -9.048 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.768 -8.308 0.662 1.00 0.00 H new ATOM 500 N ASN A 34 10.191 -6.853 1.869 1.00 0.00 N ATOM 501 CA ASN A 34 10.227 -6.078 3.085 1.00 0.00 C ATOM 502 C ASN A 34 10.740 -4.654 2.886 1.00 0.00 C ATOM 503 O ASN A 34 10.157 -3.724 3.422 1.00 0.00 O ATOM 504 CB ASN A 34 11.043 -6.810 4.138 1.00 0.00 C ATOM 505 CG ASN A 34 11.057 -6.104 5.467 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.093 -5.454 5.853 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.135 -6.214 6.165 1.00 0.00 N ATOM 0 H ASN A 34 10.703 -7.733 1.939 1.00 0.00 H new ATOM 0 HA ASN A 34 9.197 -5.973 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.639 -7.814 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.067 -6.923 3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.205 -5.751 7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.918 -6.764 5.811 1.00 0.00 H new ATOM 514 N LYS A 35 11.782 -4.470 2.078 1.00 0.00 N ATOM 515 CA LYS A 35 12.329 -3.119 1.868 1.00 0.00 C ATOM 516 C LYS A 35 11.311 -2.199 1.191 1.00 0.00 C ATOM 517 O LYS A 35 11.308 -0.980 1.417 1.00 0.00 O ATOM 518 CB LYS A 35 13.665 -3.140 1.116 1.00 0.00 C ATOM 519 CG LYS A 35 13.613 -3.708 -0.285 1.00 0.00 C ATOM 520 CD LYS A 35 15.014 -3.926 -0.837 1.00 0.00 C ATOM 521 CE LYS A 35 15.816 -2.630 -0.966 1.00 0.00 C ATOM 522 NZ LYS A 35 15.215 -1.682 -1.924 1.00 0.00 N ATOM 0 H LYS A 35 12.258 -5.213 1.567 1.00 0.00 H new ATOM 0 HA LYS A 35 12.536 -2.707 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.048 -2.121 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.381 -3.720 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.070 -4.653 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.063 -3.029 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.551 -4.616 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.943 -4.401 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.890 -2.154 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.832 -2.866 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.841 -0.859 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.090 -2.151 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.290 -1.367 -1.567 1.00 0.00 H new ATOM 536 N LEU A 36 10.427 -2.789 0.387 1.00 0.00 N ATOM 537 CA LEU A 36 9.347 -2.042 -0.215 1.00 0.00 C ATOM 538 C LEU A 36 8.292 -1.793 0.826 1.00 0.00 C ATOM 539 O LEU A 36 7.860 -0.663 1.025 1.00 0.00 O ATOM 540 CB LEU A 36 8.724 -2.797 -1.395 1.00 0.00 C ATOM 541 CG LEU A 36 9.566 -2.913 -2.654 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.873 -3.803 -3.671 1.00 0.00 C ATOM 543 CD2 LEU A 36 9.805 -1.539 -3.251 1.00 0.00 C ATOM 0 H LEU A 36 10.446 -3.779 0.144 1.00 0.00 H new ATOM 0 HA LEU A 36 9.749 -1.102 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.473 -3.803 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.787 -2.305 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 36 10.525 -3.358 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.488 -3.877 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.729 -4.797 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.904 -3.375 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.410 -1.634 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.849 -1.080 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.329 -0.914 -2.528 1.00 0.00 H new ATOM 555 N VAL A 37 7.919 -2.855 1.527 1.00 0.00 N ATOM 556 CA VAL A 37 6.880 -2.780 2.537 1.00 0.00 C ATOM 557 C VAL A 37 7.224 -1.721 3.588 1.00 0.00 C ATOM 558 O VAL A 37 6.369 -0.973 3.997 1.00 0.00 O ATOM 559 CB VAL A 37 6.612 -4.140 3.247 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.382 -4.022 4.121 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.414 -5.262 2.249 1.00 0.00 C ATOM 0 H VAL A 37 8.326 -3.783 1.411 1.00 0.00 H new ATOM 0 HA VAL A 37 5.968 -2.503 2.008 1.00 0.00 H new ATOM 0 HB VAL A 37 7.485 -4.378 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.196 -4.974 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.541 -3.247 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.522 -3.759 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.230 -6.195 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.561 -5.034 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.309 -5.366 1.636 1.00 0.00 H new ATOM 571 N ARG A 38 8.492 -1.635 3.968 1.00 0.00 N ATOM 572 CA ARG A 38 8.922 -0.658 4.966 1.00 0.00 C ATOM 573 C ARG A 38 8.644 0.765 4.524 1.00 0.00 C ATOM 574 O ARG A 38 8.043 1.538 5.274 1.00 0.00 O ATOM 575 CB ARG A 38 10.413 -0.756 5.308 1.00 0.00 C ATOM 576 CG ARG A 38 10.908 -2.038 5.954 1.00 0.00 C ATOM 577 CD ARG A 38 10.136 -2.392 7.204 1.00 0.00 C ATOM 578 NE ARG A 38 8.973 -3.225 6.909 1.00 0.00 N ATOM 579 CZ ARG A 38 7.733 -3.066 7.373 1.00 0.00 C ATOM 580 NH1 ARG A 38 7.391 -2.005 8.093 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.837 -3.967 7.095 1.00 0.00 N ATOM 0 H ARG A 38 9.239 -2.226 3.604 1.00 0.00 H new ATOM 0 HA ARG A 38 8.338 -0.902 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.978 -0.604 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.659 0.071 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.829 -2.856 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.964 -1.932 6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.791 -2.917 7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.811 -1.478 7.701 1.00 0.00 H new ATOM 0 HE ARG A 38 9.126 -4.013 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.084 -1.287 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.435 -1.908 8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.088 -4.779 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.883 -3.862 7.441 1.00 0.00 H new ATOM 595 N GLU A 39 9.070 1.117 3.304 1.00 0.00 N ATOM 596 CA GLU A 39 8.905 2.482 2.847 1.00 0.00 C ATOM 597 C GLU A 39 7.436 2.816 2.727 1.00 0.00 C ATOM 598 O GLU A 39 6.999 3.856 3.197 1.00 0.00 O ATOM 599 CB GLU A 39 9.673 2.790 1.535 1.00 0.00 C ATOM 600 CG GLU A 39 9.198 2.056 0.289 1.00 0.00 C ATOM 601 CD GLU A 39 9.989 2.441 -0.930 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.068 1.847 -1.170 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.577 3.371 -1.663 1.00 0.00 O ATOM 0 H GLU A 39 9.519 0.487 2.639 1.00 0.00 H new ATOM 0 HA GLU A 39 9.354 3.128 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.611 3.862 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.726 2.554 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.280 0.981 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.143 2.274 0.120 1.00 0.00 H new ATOM 610 N PHE A 40 6.669 1.886 2.186 1.00 0.00 N ATOM 611 CA PHE A 40 5.262 2.093 2.000 1.00 0.00 C ATOM 612 C PHE A 40 4.519 2.146 3.315 1.00 0.00 C ATOM 613 O PHE A 40 3.700 3.019 3.508 1.00 0.00 O ATOM 614 CB PHE A 40 4.659 1.072 1.051 1.00 0.00 C ATOM 615 CG PHE A 40 5.170 1.187 -0.365 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.978 2.349 -1.089 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.831 0.134 -0.969 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.437 2.453 -2.385 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.290 0.231 -2.263 1.00 0.00 C ATOM 620 CZ PHE A 40 6.093 1.391 -2.971 1.00 0.00 C ATOM 0 H PHE A 40 7.009 0.978 1.869 1.00 0.00 H new ATOM 0 HA PHE A 40 5.147 3.070 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.872 0.071 1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.575 1.187 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.464 3.183 -0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.990 -0.780 -0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.283 3.366 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.803 -0.602 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.452 1.472 -3.986 1.00 0.00 H new ATOM 630 N GLU A 41 4.855 1.260 4.240 1.00 0.00 N ATOM 631 CA GLU A 41 4.218 1.240 5.545 1.00 0.00 C ATOM 632 C GLU A 41 4.562 2.435 6.408 1.00 0.00 C ATOM 633 O GLU A 41 3.838 2.782 7.358 1.00 0.00 O ATOM 634 CB GLU A 41 4.391 -0.105 6.252 1.00 0.00 C ATOM 635 CG GLU A 41 3.455 -1.116 5.633 1.00 0.00 C ATOM 636 CD GLU A 41 2.088 -0.510 5.579 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.528 -0.268 6.667 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.587 -0.204 4.500 1.00 0.00 O ATOM 0 H GLU A 41 5.569 0.543 4.109 1.00 0.00 H new ATOM 0 HA GLU A 41 3.149 1.345 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.423 -0.445 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.180 0.000 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.792 -1.384 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.442 -2.033 6.222 1.00 0.00 H new ATOM 645 N ARG A 42 5.629 3.095 6.074 1.00 0.00 N ATOM 646 CA ARG A 42 5.976 4.311 6.748 1.00 0.00 C ATOM 647 C ARG A 42 5.084 5.422 6.217 1.00 0.00 C ATOM 648 O ARG A 42 4.622 6.293 6.958 1.00 0.00 O ATOM 649 CB ARG A 42 7.430 4.642 6.511 1.00 0.00 C ATOM 650 CG ARG A 42 7.942 5.769 7.383 1.00 0.00 C ATOM 651 CD ARG A 42 9.451 5.923 7.265 1.00 0.00 C ATOM 652 NE ARG A 42 9.867 6.314 5.914 1.00 0.00 N ATOM 653 CZ ARG A 42 10.828 5.723 5.187 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.484 4.658 5.653 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.132 6.210 3.999 1.00 0.00 N ATOM 0 H ARG A 42 6.276 2.812 5.338 1.00 0.00 H new ATOM 0 HA ARG A 42 5.828 4.200 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.032 3.751 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.567 4.912 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.456 6.702 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.675 5.577 8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.794 6.671 7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.932 4.982 7.533 1.00 0.00 H new ATOM 0 HE ARG A 42 9.383 7.105 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.257 4.282 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.212 4.220 5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.638 7.028 3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.861 5.769 3.438 1.00 0.00 H new ATOM 669 N LEU A 43 4.818 5.343 4.940 1.00 0.00 N ATOM 670 CA LEU A 43 3.991 6.319 4.247 1.00 0.00 C ATOM 671 C LEU A 43 2.511 6.133 4.605 1.00 0.00 C ATOM 672 O LEU A 43 1.820 7.091 4.938 1.00 0.00 O ATOM 673 CB LEU A 43 4.151 6.178 2.734 1.00 0.00 C ATOM 674 CG LEU A 43 5.564 6.186 2.180 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.532 5.886 0.703 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.252 7.517 2.437 1.00 0.00 C ATOM 0 H LEU A 43 5.168 4.597 4.339 1.00 0.00 H new ATOM 0 HA LEU A 43 4.318 7.310 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.675 5.246 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.598 6.988 2.259 1.00 0.00 H new ATOM 0 HG LEU A 43 6.138 5.414 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.548 5.893 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.086 4.905 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.939 6.643 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.262 7.490 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.688 8.317 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.300 7.700 3.510 1.00 0.00 H new ATOM 688 N THR A 44 2.044 4.898 4.544 1.00 0.00 N ATOM 689 CA THR A 44 0.657 4.564 4.794 1.00 0.00 C ATOM 690 C THR A 44 0.278 4.798 6.206 1.00 0.00 C ATOM 691 O THR A 44 -0.824 5.323 6.484 1.00 0.00 O ATOM 692 CB THR A 44 0.401 3.099 4.493 1.00 0.00 C ATOM 693 OG1 THR A 44 1.347 2.327 5.199 1.00 0.00 O ATOM 694 CG2 THR A 44 0.516 2.836 3.037 1.00 0.00 C ATOM 0 H THR A 44 2.626 4.092 4.317 1.00 0.00 H new ATOM 0 HA THR A 44 0.063 5.207 4.145 1.00 0.00 H new ATOM 0 HB THR A 44 -0.609 2.834 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.615 1.559 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.329 1.780 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.215 3.439 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.519 3.095 2.699 1.00 0.00 H new ATOM 702 N GLU A 45 1.185 4.404 7.103 1.00 0.00 N ATOM 703 CA GLU A 45 0.958 4.430 8.504 1.00 0.00 C ATOM 704 C GLU A 45 -0.233 3.511 8.758 1.00 0.00 C ATOM 705 O GLU A 45 -1.121 3.790 9.578 1.00 0.00 O ATOM 706 CB GLU A 45 0.691 5.861 8.954 1.00 0.00 C ATOM 707 CG GLU A 45 0.724 6.036 10.417 1.00 0.00 C ATOM 708 CD GLU A 45 0.725 7.466 10.784 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.330 8.095 10.666 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.784 8.010 11.162 1.00 0.00 O ATOM 0 H GLU A 45 2.108 4.055 6.845 1.00 0.00 H new ATOM 0 HA GLU A 45 1.821 4.085 9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.432 6.520 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.284 6.174 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.140 5.544 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.612 5.553 10.824 1.00 0.00 H new ATOM 717 N HIS A 46 -0.257 2.420 8.012 1.00 0.00 N ATOM 718 CA HIS A 46 -1.330 1.514 8.092 1.00 0.00 C ATOM 719 C HIS A 46 -1.000 0.380 9.096 1.00 0.00 C ATOM 720 O HIS A 46 -0.029 -0.328 8.957 1.00 0.00 O ATOM 721 CB HIS A 46 -1.750 0.988 6.692 1.00 0.00 C ATOM 722 CG HIS A 46 -3.047 0.254 6.752 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.183 -0.970 7.341 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.294 0.686 6.499 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.479 -1.218 7.479 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.201 -0.250 6.966 1.00 0.00 N ATOM 0 H HIS A 46 0.472 2.161 7.347 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.203 2.041 8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.835 1.824 5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.975 0.328 6.302 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.548 1.615 6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.886 -2.100 7.951 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.219 -0.198 6.921 1.00 0.00 H new ATOM 734 N PRO A 47 -1.867 0.190 10.078 1.00 0.00 N ATOM 735 CA PRO A 47 -1.667 -0.732 11.207 1.00 0.00 C ATOM 736 C PRO A 47 -1.394 -2.145 10.818 1.00 0.00 C ATOM 737 O PRO A 47 -0.545 -2.813 11.397 1.00 0.00 O ATOM 738 CB PRO A 47 -2.993 -0.677 11.938 1.00 0.00 C ATOM 739 CG PRO A 47 -3.934 0.051 11.069 1.00 0.00 C ATOM 740 CD PRO A 47 -3.130 0.869 10.168 1.00 0.00 C ATOM 0 HA PRO A 47 -0.792 -0.431 11.784 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.360 -1.682 12.147 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.884 -0.171 12.897 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.558 -0.644 10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.605 0.674 11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.601 0.958 9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.008 1.880 10.556 1.00 0.00 H new ATOM 748 N ASP A 48 -2.072 -2.574 9.821 1.00 0.00 N ATOM 749 CA ASP A 48 -1.998 -3.922 9.403 1.00 0.00 C ATOM 750 C ASP A 48 -1.396 -3.925 8.042 1.00 0.00 C ATOM 751 O ASP A 48 -1.490 -4.880 7.342 1.00 0.00 O ATOM 752 CB ASP A 48 -3.395 -4.581 9.328 1.00 0.00 C ATOM 753 CG ASP A 48 -4.143 -4.645 10.640 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.803 -5.474 11.501 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.104 -3.864 10.829 1.00 0.00 O ATOM 0 H ASP A 48 -2.701 -1.993 9.266 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.405 -4.488 10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.001 -4.031 8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.282 -5.594 8.942 1.00 0.00 H new ATOM 760 N GLY A 49 -0.771 -2.811 7.690 1.00 0.00 N ATOM 761 CA GLY A 49 -0.226 -2.603 6.324 1.00 0.00 C ATOM 762 C GLY A 49 0.662 -3.665 5.828 1.00 0.00 C ATOM 763 O GLY A 49 0.462 -4.178 4.726 1.00 0.00 O ATOM 0 H GLY A 49 -0.620 -2.025 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.061 -2.498 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.321 -1.660 6.310 1.00 0.00 H new ATOM 767 N SER A 50 1.603 -4.026 6.611 1.00 0.00 N ATOM 768 CA SER A 50 2.517 -5.080 6.192 1.00 0.00 C ATOM 769 C SER A 50 1.742 -6.397 6.095 1.00 0.00 C ATOM 770 O SER A 50 1.879 -7.151 5.124 1.00 0.00 O ATOM 771 CB SER A 50 3.684 -5.218 7.155 1.00 0.00 C ATOM 772 OG SER A 50 4.202 -3.933 7.526 1.00 0.00 O ATOM 0 H SER A 50 1.781 -3.632 7.535 1.00 0.00 H new ATOM 0 HA SER A 50 2.932 -4.822 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.362 -5.755 8.047 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.473 -5.812 6.693 1.00 0.00 H new ATOM 0 HG SER A 50 4.426 -3.934 8.480 1.00 0.00 H new ATOM 778 N ASP A 51 0.871 -6.606 7.068 1.00 0.00 N ATOM 779 CA ASP A 51 0.023 -7.787 7.145 1.00 0.00 C ATOM 780 C ASP A 51 -0.885 -7.900 5.946 1.00 0.00 C ATOM 781 O ASP A 51 -1.074 -8.971 5.449 1.00 0.00 O ATOM 782 CB ASP A 51 -0.824 -7.807 8.422 1.00 0.00 C ATOM 783 CG ASP A 51 -0.046 -8.133 9.668 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.081 -9.329 9.997 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.450 -7.208 10.351 1.00 0.00 O ATOM 0 H ASP A 51 0.730 -5.952 7.838 1.00 0.00 H new ATOM 0 HA ASP A 51 0.699 -8.642 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.298 -6.833 8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.624 -8.538 8.304 1.00 0.00 H new ATOM 790 N LEU A 52 -1.383 -6.763 5.458 1.00 0.00 N ATOM 791 CA LEU A 52 -2.314 -6.683 4.309 1.00 0.00 C ATOM 792 C LEU A 52 -1.793 -7.400 3.102 1.00 0.00 C ATOM 793 O LEU A 52 -2.562 -7.962 2.309 1.00 0.00 O ATOM 794 CB LEU A 52 -2.558 -5.228 3.887 1.00 0.00 C ATOM 795 CG LEU A 52 -3.165 -4.293 4.908 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.423 -2.958 4.272 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.434 -4.870 5.506 1.00 0.00 C ATOM 0 H LEU A 52 -1.152 -5.850 5.850 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.236 -7.151 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.604 -4.806 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.208 -5.237 3.012 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.459 -4.165 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.861 -2.283 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.484 -2.540 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.112 -3.080 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.843 -4.171 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.165 -5.038 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.207 -5.816 5.997 1.00 0.00 H new ATOM 809 N ILE A 53 -0.500 -7.372 2.970 1.00 0.00 N ATOM 810 CA ILE A 53 0.171 -7.910 1.814 1.00 0.00 C ATOM 811 C ILE A 53 0.332 -9.409 1.959 1.00 0.00 C ATOM 812 O ILE A 53 0.206 -10.177 0.993 1.00 0.00 O ATOM 813 CB ILE A 53 1.553 -7.253 1.708 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.380 -5.732 1.684 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.295 -7.740 0.465 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.649 -4.971 1.904 1.00 0.00 C ATOM 0 H ILE A 53 0.129 -6.972 3.666 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.415 -7.707 0.918 1.00 0.00 H new ATOM 0 HB ILE A 53 2.154 -7.533 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.955 -5.440 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.660 -5.447 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.272 -7.259 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.425 -8.821 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.719 -7.488 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.442 -3.901 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.065 -5.231 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.366 -5.225 1.123 1.00 0.00 H new ATOM 828 N TYR A 54 0.557 -9.815 3.162 1.00 0.00 N ATOM 829 CA TYR A 54 0.837 -11.184 3.463 1.00 0.00 C ATOM 830 C TYR A 54 -0.437 -11.971 3.714 1.00 0.00 C ATOM 831 O TYR A 54 -0.633 -13.056 3.163 1.00 0.00 O ATOM 832 CB TYR A 54 1.740 -11.252 4.682 1.00 0.00 C ATOM 833 CG TYR A 54 3.069 -10.560 4.515 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.889 -10.834 3.433 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.507 -9.640 5.448 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.105 -10.206 3.284 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.716 -9.004 5.312 1.00 0.00 C ATOM 838 CZ TYR A 54 5.516 -9.291 4.222 1.00 0.00 C ATOM 839 OH TYR A 54 6.742 -8.664 4.075 1.00 0.00 O ATOM 0 H TYR A 54 0.552 -9.201 3.976 1.00 0.00 H new ATOM 0 HA TYR A 54 1.336 -11.632 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.218 -10.809 5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.918 -12.299 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.569 -11.553 2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.885 -9.416 6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.732 -10.432 2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.039 -8.285 6.051 1.00 0.00 H new ATOM 0 HH TYR A 54 6.884 -8.045 4.821 1.00 0.00 H new ATOM 849 N TYR A 55 -1.294 -11.418 4.520 1.00 0.00 N ATOM 850 CA TYR A 55 -2.499 -12.057 4.920 1.00 0.00 C ATOM 851 C TYR A 55 -3.673 -11.163 4.600 1.00 0.00 C ATOM 852 O TYR A 55 -3.743 -10.030 5.064 1.00 0.00 O ATOM 853 CB TYR A 55 -2.479 -12.359 6.425 1.00 0.00 C ATOM 854 CG TYR A 55 -1.298 -13.190 6.854 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.260 -14.549 6.602 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.214 -12.609 7.496 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.175 -15.307 6.974 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.872 -13.363 7.873 1.00 0.00 C ATOM 859 CZ TYR A 55 0.886 -14.708 7.607 1.00 0.00 C ATOM 860 OH TYR A 55 1.969 -15.462 7.972 1.00 0.00 O ATOM 0 H TYR A 55 -1.166 -10.490 4.923 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.592 -12.998 4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.471 -11.419 6.976 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.398 -12.880 6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.095 -15.022 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.223 -11.549 7.703 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.157 -16.367 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.708 -12.899 8.375 1.00 0.00 H new ATOM 0 HH TYR A 55 2.634 -14.889 8.408 1.00 0.00 H new ATOM 870 N PRO A 56 -4.574 -11.633 3.761 1.00 0.00 N ATOM 871 CA PRO A 56 -5.804 -10.926 3.461 1.00 0.00 C ATOM 872 C PRO A 56 -6.762 -11.016 4.635 1.00 0.00 C ATOM 873 O PRO A 56 -6.542 -11.807 5.565 1.00 0.00 O ATOM 874 CB PRO A 56 -6.373 -11.691 2.278 1.00 0.00 C ATOM 875 CG PRO A 56 -5.796 -13.050 2.388 1.00 0.00 C ATOM 876 CD PRO A 56 -4.460 -12.890 3.024 1.00 0.00 C ATOM 0 HA PRO A 56 -5.645 -9.867 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.462 -11.720 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.098 -11.220 1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.437 -13.696 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.705 -13.514 1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.230 -13.724 3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.665 -12.847 2.280 1.00 0.00 H new ATOM 884 N ARG A 57 -7.814 -10.232 4.615 1.00 0.00 N ATOM 885 CA ARG A 57 -8.766 -10.318 5.686 1.00 0.00 C ATOM 886 C ARG A 57 -9.771 -11.431 5.404 1.00 0.00 C ATOM 887 O ARG A 57 -9.395 -12.608 5.297 1.00 0.00 O ATOM 888 CB ARG A 57 -9.478 -8.976 5.887 1.00 0.00 C ATOM 889 CG ARG A 57 -8.564 -7.839 6.303 1.00 0.00 C ATOM 890 CD ARG A 57 -9.304 -6.517 6.327 1.00 0.00 C ATOM 891 NE ARG A 57 -10.499 -6.554 7.168 1.00 0.00 N ATOM 892 CZ ARG A 57 -11.574 -5.762 7.008 1.00 0.00 C ATOM 893 NH1 ARG A 57 -11.561 -4.771 6.123 1.00 0.00 N ATOM 894 NH2 ARG A 57 -12.633 -5.938 7.770 1.00 0.00 N ATOM 0 H ARG A 57 -8.026 -9.547 3.889 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.236 -10.556 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.980 -8.702 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.253 -9.099 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.151 -8.045 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.723 -7.775 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.634 -5.737 6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.589 -6.246 5.310 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.519 -7.230 7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.730 -4.604 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.382 -4.177 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.636 -6.672 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.451 -5.340 7.653 1.00 0.00 H new ATOM 908 N ASP A 58 -11.024 -11.098 5.269 1.00 0.00 N ATOM 909 CA ASP A 58 -11.982 -12.116 4.946 1.00 0.00 C ATOM 910 C ASP A 58 -12.773 -11.834 3.701 1.00 0.00 C ATOM 911 O ASP A 58 -12.599 -12.479 2.675 1.00 0.00 O ATOM 912 CB ASP A 58 -12.879 -12.493 6.115 1.00 0.00 C ATOM 913 CG ASP A 58 -13.685 -13.727 5.795 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.088 -14.830 5.734 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.907 -13.628 5.588 1.00 0.00 O ATOM 0 H ASP A 58 -11.399 -10.155 5.374 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.375 -12.994 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.272 -12.670 7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.549 -11.665 6.347 1.00 0.00 H new ATOM 920 N ASP A 59 -13.601 -10.831 3.801 1.00 0.00 N ATOM 921 CA ASP A 59 -14.598 -10.515 2.785 1.00 0.00 C ATOM 922 C ASP A 59 -14.080 -9.516 1.781 1.00 0.00 C ATOM 923 O ASP A 59 -14.609 -9.405 0.668 1.00 0.00 O ATOM 924 CB ASP A 59 -15.849 -9.962 3.474 1.00 0.00 C ATOM 925 CG ASP A 59 -16.981 -9.641 2.523 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.731 -10.565 2.142 1.00 0.00 O ATOM 927 OD2 ASP A 59 -17.173 -8.452 2.178 1.00 0.00 O ATOM 0 H ASP A 59 -13.612 -10.194 4.598 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.836 -11.429 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.199 -10.688 4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.581 -9.059 4.022 1.00 0.00 H new ATOM 932 N ARG A 60 -13.036 -8.809 2.153 1.00 0.00 N ATOM 933 CA ARG A 60 -12.485 -7.768 1.296 1.00 0.00 C ATOM 934 C ARG A 60 -11.898 -8.388 0.018 1.00 0.00 C ATOM 935 O ARG A 60 -11.533 -9.573 0.008 1.00 0.00 O ATOM 936 CB ARG A 60 -11.455 -6.900 2.079 1.00 0.00 C ATOM 937 CG ARG A 60 -10.106 -7.555 2.390 1.00 0.00 C ATOM 938 CD ARG A 60 -9.099 -7.307 1.265 1.00 0.00 C ATOM 939 NE ARG A 60 -7.841 -8.058 1.424 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.708 -7.554 1.949 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.749 -6.439 2.682 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.539 -8.196 1.773 1.00 0.00 N ATOM 0 H ARG A 60 -12.548 -8.931 3.040 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.283 -7.094 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.269 -5.991 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.912 -6.595 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.714 -7.159 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.243 -8.627 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.556 -7.577 0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.873 -6.242 1.219 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.828 -9.030 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.639 -5.968 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.890 -6.058 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.510 -9.066 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.682 -7.813 2.171 1.00 0.00 H new ATOM 956 N GLU A 61 -11.816 -7.609 -1.025 1.00 0.00 N ATOM 957 CA GLU A 61 -11.338 -8.077 -2.309 1.00 0.00 C ATOM 958 C GLU A 61 -9.849 -8.375 -2.252 1.00 0.00 C ATOM 959 O GLU A 61 -9.022 -7.477 -2.016 1.00 0.00 O ATOM 960 CB GLU A 61 -11.657 -7.041 -3.403 1.00 0.00 C ATOM 961 CG GLU A 61 -11.138 -7.390 -4.795 1.00 0.00 C ATOM 962 CD GLU A 61 -11.546 -6.382 -5.835 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.731 -6.371 -6.257 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.692 -5.563 -6.254 1.00 0.00 O ATOM 0 H GLU A 61 -12.079 -6.624 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.852 -9.006 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.738 -6.913 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.237 -6.080 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.050 -7.457 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.511 -8.373 -5.082 1.00 0.00 H new ATOM 971 N ASP A 62 -9.507 -9.631 -2.429 1.00 0.00 N ATOM 972 CA ASP A 62 -8.115 -10.035 -2.451 1.00 0.00 C ATOM 973 C ASP A 62 -7.535 -9.698 -3.804 1.00 0.00 C ATOM 974 O ASP A 62 -7.584 -10.497 -4.738 1.00 0.00 O ATOM 975 CB ASP A 62 -7.942 -11.535 -2.160 1.00 0.00 C ATOM 976 CG ASP A 62 -6.473 -11.974 -2.097 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.829 -12.149 -3.139 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.948 -12.187 -0.986 1.00 0.00 O ATOM 0 H ASP A 62 -10.172 -10.393 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.587 -9.496 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.426 -11.773 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.453 -12.110 -2.932 1.00 0.00 H new ATOM 983 N SER A 63 -7.129 -8.483 -3.947 1.00 0.00 N ATOM 984 CA SER A 63 -6.526 -8.041 -5.145 1.00 0.00 C ATOM 985 C SER A 63 -5.520 -6.964 -4.759 1.00 0.00 C ATOM 986 O SER A 63 -5.574 -6.464 -3.613 1.00 0.00 O ATOM 987 CB SER A 63 -7.636 -7.466 -6.055 1.00 0.00 C ATOM 988 OG SER A 63 -8.217 -6.310 -5.470 1.00 0.00 O ATOM 0 H SER A 63 -7.210 -7.766 -3.226 1.00 0.00 H new ATOM 0 HA SER A 63 -6.019 -8.843 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.220 -7.216 -7.031 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.405 -8.221 -6.221 1.00 0.00 H new ATOM 0 HG SER A 63 -9.057 -6.099 -5.928 1.00 0.00 H new ATOM 994 N PRO A 64 -4.574 -6.597 -5.652 1.00 0.00 N ATOM 995 CA PRO A 64 -3.683 -5.464 -5.408 1.00 0.00 C ATOM 996 C PRO A 64 -4.534 -4.192 -5.190 1.00 0.00 C ATOM 997 O PRO A 64 -4.198 -3.337 -4.381 1.00 0.00 O ATOM 998 CB PRO A 64 -2.827 -5.393 -6.708 1.00 0.00 C ATOM 999 CG PRO A 64 -2.886 -6.772 -7.245 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.258 -7.279 -6.921 1.00 0.00 C ATOM 0 HA PRO A 64 -3.055 -5.560 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.233 -4.670 -7.416 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.802 -5.090 -6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.710 -6.780 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.120 -7.401 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.975 -7.029 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.272 -8.363 -6.811 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.689 -4.150 -5.863 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.651 -3.064 -5.724 1.00 0.00 C ATOM 1010 C GLU A 65 -7.229 -3.030 -4.302 1.00 0.00 C ATOM 1011 O GLU A 65 -7.270 -1.975 -3.667 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.803 -3.230 -6.723 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.395 -3.237 -8.187 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.572 -3.425 -9.103 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.427 -2.523 -9.186 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.668 -4.475 -9.761 1.00 0.00 O ATOM 0 H GLU A 65 -5.979 -4.874 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.126 -2.130 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.322 -4.163 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.518 -2.423 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.895 -2.299 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.673 -4.035 -8.357 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.650 -4.193 -3.813 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.283 -4.299 -2.508 1.00 0.00 C ATOM 1025 C GLY A 66 -7.342 -4.048 -1.342 1.00 0.00 C ATOM 1026 O GLY A 66 -7.775 -3.609 -0.275 1.00 0.00 O ATOM 0 H GLY A 66 -7.562 -5.080 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.107 -3.587 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.715 -5.294 -2.405 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.067 -4.322 -1.523 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.081 -4.022 -0.480 1.00 0.00 C ATOM 1032 C ILE A 67 -4.921 -2.498 -0.347 1.00 0.00 C ATOM 1033 O ILE A 67 -4.904 -1.947 0.746 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.717 -4.714 -0.763 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.891 -6.245 -0.697 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.639 -4.238 0.219 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.635 -7.042 -1.002 1.00 0.00 C ATOM 0 H ILE A 67 -5.683 -4.746 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.443 -4.423 0.467 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.385 -4.439 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.242 -6.514 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.671 -6.539 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.697 -4.739 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.509 -3.160 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.944 -4.476 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.854 -8.107 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.291 -6.808 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.857 -6.783 -0.284 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.846 -1.846 -1.474 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.815 -0.392 -1.569 1.00 0.00 C ATOM 1051 C VAL A 68 -6.121 0.192 -1.055 1.00 0.00 C ATOM 1052 O VAL A 68 -6.131 1.218 -0.377 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.565 0.028 -3.031 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.605 1.543 -3.196 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.231 -0.502 -3.437 1.00 0.00 C ATOM 0 H VAL A 68 -4.803 -2.312 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.003 -0.006 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.352 -0.380 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.425 1.800 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.584 1.916 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.835 1.997 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.026 -0.220 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.461 -0.086 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.230 -1.589 -3.351 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.211 -0.495 -1.347 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.525 -0.124 -0.876 1.00 0.00 C ATOM 1067 C LYS A 69 -8.564 -0.127 0.627 1.00 0.00 C ATOM 1068 O LYS A 69 -9.187 0.732 1.237 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.544 -1.094 -1.368 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.941 -0.661 -1.042 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.639 0.023 -2.203 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.065 1.407 -2.560 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.865 2.056 -3.622 1.00 0.00 N ATOM 0 H LYS A 69 -7.204 -1.335 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.745 0.875 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.443 -1.208 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.356 -2.072 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.523 -1.531 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.915 0.019 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.576 -0.621 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.697 0.132 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.052 2.039 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.032 1.302 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.457 2.987 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.856 1.462 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.845 2.176 -3.294 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.868 -1.081 1.209 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.805 -1.234 2.635 1.00 0.00 C ATOM 1089 C GLU A 70 -7.160 0.016 3.226 1.00 0.00 C ATOM 1090 O GLU A 70 -7.632 0.543 4.221 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.959 -2.450 2.978 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.259 -3.074 4.317 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.575 -3.787 4.308 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.712 -4.782 3.565 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.506 -3.366 5.019 1.00 0.00 O ATOM 0 H GLU A 70 -7.327 -1.776 0.694 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.807 -1.369 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.100 -3.203 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.908 -2.162 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.466 -3.775 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.268 -2.301 5.086 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.099 0.499 2.556 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.385 1.705 2.988 1.00 0.00 C ATOM 1104 C ILE A 71 -6.322 2.891 2.826 1.00 0.00 C ATOM 1105 O ILE A 71 -6.523 3.685 3.742 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.126 2.039 2.103 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.252 0.826 1.749 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.278 3.119 2.748 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.788 -0.005 2.887 1.00 0.00 C ATOM 0 H ILE A 71 -5.720 0.069 1.712 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.062 1.524 4.013 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.535 2.400 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.813 0.188 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.376 1.182 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.415 3.330 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.872 4.025 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.937 2.778 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.181 -0.829 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.191 0.606 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.650 -0.403 3.422 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.883 2.959 1.646 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.763 4.009 1.195 1.00 0.00 C ATOM 1123 C LYS A 72 -8.952 4.226 2.118 1.00 0.00 C ATOM 1124 O LYS A 72 -9.117 5.311 2.674 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.196 3.682 -0.246 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.324 4.516 -0.819 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.376 4.417 -2.322 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.238 5.174 -2.974 1.00 0.00 C ATOM 1129 NZ LYS A 72 -8.336 6.628 -2.729 1.00 0.00 N ATOM 0 H LYS A 72 -6.730 2.244 0.934 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.225 4.957 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.328 3.790 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.494 2.634 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.273 4.184 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.193 5.558 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.333 3.369 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.327 4.811 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.288 4.804 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.243 4.985 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.759 7.138 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.328 6.928 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.990 6.843 -1.772 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.732 3.196 2.321 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.940 3.311 3.107 1.00 0.00 C ATOM 1145 C GLU A 73 -10.629 3.535 4.578 1.00 0.00 C ATOM 1146 O GLU A 73 -11.375 4.231 5.283 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.818 2.084 2.907 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.257 1.878 1.457 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.157 2.976 0.923 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.682 4.096 0.647 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.358 2.721 0.723 1.00 0.00 O ATOM 0 H GLU A 73 -9.554 2.262 1.952 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.489 4.186 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.276 1.200 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.703 2.174 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.371 1.810 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.779 0.924 1.378 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.512 2.989 5.030 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.099 3.145 6.405 1.00 0.00 C ATOM 1160 C TRP A 74 -8.605 4.568 6.654 1.00 0.00 C ATOM 1161 O TRP A 74 -9.057 5.218 7.577 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.034 2.109 6.764 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.551 2.174 8.170 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.118 1.599 9.265 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.382 2.837 8.621 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.370 1.886 10.375 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.299 2.642 10.000 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.402 3.583 7.978 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.271 3.162 10.751 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.369 4.112 8.707 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.313 3.893 10.091 1.00 0.00 C ATOM 0 H TRP A 74 -8.876 2.433 4.458 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.958 2.974 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.438 1.114 6.579 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.183 2.237 6.096 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.021 1.006 9.259 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.579 1.584 11.326 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.454 3.745 6.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.219 3.002 11.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.602 4.694 8.218 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.492 4.311 10.655 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.712 5.066 5.805 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.187 6.421 5.953 1.00 0.00 C ATOM 1184 C ARG A 75 -8.256 7.469 5.755 1.00 0.00 C ATOM 1185 O ARG A 75 -8.253 8.491 6.445 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.947 6.658 5.078 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.723 5.961 5.650 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.454 6.207 4.877 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.240 7.623 4.547 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.138 8.339 4.839 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.166 7.825 5.564 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.032 9.575 4.405 1.00 0.00 N ATOM 0 H ARG A 75 -7.336 4.553 5.008 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.852 6.523 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.137 6.293 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.755 7.728 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.578 6.291 6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.912 4.888 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.606 5.844 5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.480 5.626 3.955 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.992 8.105 4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.241 6.870 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.338 8.382 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.782 9.987 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.199 10.122 4.623 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.205 7.190 4.882 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.325 8.087 4.667 1.00 0.00 C ATOM 1208 C ALA A 76 -11.240 8.126 5.894 1.00 0.00 C ATOM 1209 O ALA A 76 -11.780 9.172 6.237 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.111 7.686 3.428 1.00 0.00 C ATOM 0 H ALA A 76 -9.223 6.347 4.308 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.925 9.088 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.945 8.373 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.459 7.724 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.493 6.673 3.551 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.393 6.994 6.570 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.251 6.918 7.751 1.00 0.00 C ATOM 1218 C ALA A 77 -11.513 7.402 8.989 1.00 0.00 C ATOM 1219 O ALA A 77 -12.117 7.772 9.992 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.737 5.494 7.966 1.00 0.00 C ATOM 0 H ALA A 77 -10.936 6.116 6.323 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.111 7.566 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.374 5.457 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.305 5.168 7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.881 4.835 8.108 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.211 7.391 8.905 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.350 7.733 10.029 1.00 0.00 C ATOM 1228 C ASN A 78 -9.003 9.208 10.023 1.00 0.00 C ATOM 1229 O ASN A 78 -8.390 9.721 10.961 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.077 6.903 9.946 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.726 6.238 11.243 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.973 6.779 12.060 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.269 5.061 11.442 1.00 0.00 N ATOM 0 H ASN A 78 -9.704 7.145 8.055 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.880 7.517 10.957 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.195 6.142 9.174 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.251 7.544 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.076 4.549 12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.884 4.657 10.736 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.371 9.879 8.952 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.110 11.298 8.836 1.00 0.00 C ATOM 1242 C GLY A 79 -7.679 11.588 8.436 1.00 0.00 C ATOM 1243 O GLY A 79 -7.163 12.679 8.685 1.00 0.00 O ATOM 0 H GLY A 79 -9.850 9.466 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.786 11.730 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.324 11.784 9.788 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.036 10.619 7.822 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.704 10.778 7.377 1.00 0.00 C ATOM 1249 C LYS A 80 -5.712 11.283 5.953 1.00 0.00 C ATOM 1250 O LYS A 80 -6.762 11.309 5.299 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.941 9.470 7.472 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.702 8.986 8.902 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.707 7.834 8.946 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.505 7.306 10.371 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.413 6.323 10.501 1.00 0.00 N ATOM 0 H LYS A 80 -7.439 9.703 7.625 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.200 11.503 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.490 8.702 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.978 9.587 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.330 9.812 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.647 8.668 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.060 7.025 8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.750 8.165 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.302 8.148 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.434 6.848 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.351 6.002 11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.604 5.508 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.513 6.765 10.223 1.00 0.00 H new ATOM 1269 N SER A 81 -4.571 11.665 5.481 1.00 0.00 N ATOM 1270 CA SER A 81 -4.409 12.199 4.161 1.00 0.00 C ATOM 1271 C SER A 81 -4.657 11.098 3.105 1.00 0.00 C ATOM 1272 O SER A 81 -4.714 9.892 3.439 1.00 0.00 O ATOM 1273 CB SER A 81 -3.002 12.748 4.068 1.00 0.00 C ATOM 1274 OG SER A 81 -2.855 13.685 3.007 1.00 0.00 O ATOM 0 H SER A 81 -3.702 11.615 6.013 1.00 0.00 H new ATOM 0 HA SER A 81 -5.130 12.993 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.738 13.227 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.303 11.925 3.922 1.00 0.00 H new ATOM 0 HG SER A 81 -1.932 14.014 2.986 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.729 11.483 1.865 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.080 10.556 0.819 1.00 0.00 C ATOM 1282 C GLY A 82 -4.112 10.604 -0.313 1.00 0.00 C ATOM 1283 O GLY A 82 -3.079 11.274 -0.215 1.00 0.00 O ATOM 0 H GLY A 82 -4.549 12.436 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.113 9.545 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.080 10.785 0.451 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.440 9.928 -1.384 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.590 9.849 -2.526 1.00 0.00 C ATOM 1289 C PHE A 83 -3.928 10.974 -3.465 1.00 0.00 C ATOM 1290 O PHE A 83 -4.910 11.713 -3.261 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.808 8.524 -3.265 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.816 7.313 -2.379 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.645 6.839 -1.854 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.001 6.649 -2.068 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.641 5.734 -1.036 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.993 5.545 -1.253 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.814 5.087 -0.735 1.00 0.00 C ATOM 0 H PHE A 83 -5.316 9.414 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.553 9.915 -2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.756 8.573 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.024 8.406 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.715 7.337 -2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.936 7.007 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.709 5.372 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.918 5.038 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.805 4.220 -0.092 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.139 11.123 -4.466 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.399 12.071 -5.474 1.00 0.00 C ATOM 1309 C LYS A 84 -4.142 11.353 -6.596 1.00 0.00 C ATOM 1310 O LYS A 84 -4.085 10.130 -6.698 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.072 12.645 -5.952 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.184 13.794 -6.933 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.830 14.434 -7.186 1.00 0.00 C ATOM 1314 CE LYS A 84 0.156 13.462 -7.809 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.452 14.098 -8.100 1.00 0.00 N ATOM 0 H LYS A 84 -2.286 10.581 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.012 12.898 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.506 12.983 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.495 11.846 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.600 13.433 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.876 14.541 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.954 15.295 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.425 14.807 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.309 12.620 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.265 13.060 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.094 13.399 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.311 14.886 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.867 14.459 -7.218 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.870 12.067 -7.373 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.559 11.487 -8.477 1.00 0.00 C ATOM 1331 C GLN A 85 -5.345 12.317 -9.704 1.00 0.00 C ATOM 1332 O GLN A 85 -5.413 13.546 -9.652 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.063 11.260 -8.194 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.872 12.500 -7.787 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.617 12.962 -6.355 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.367 12.034 -5.457 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.680 14.149 -6.055 1.00 0.00 N flip ATOM 0 H GLN A 85 -5.008 13.072 -7.266 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.139 10.495 -8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.519 10.832 -9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.154 10.517 -7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.635 13.316 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.934 12.284 -7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.876 14.847 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.537 14.439 -5.088 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.029 11.660 -10.762 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.798 12.303 -12.005 1.00 0.00 C ATOM 1348 C GLY A 86 -3.799 11.520 -12.786 1.00 0.00 C ATOM 1349 O GLY A 86 -4.199 10.591 -13.496 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.597 11.799 -12.690 1.00 0.00 O ATOM 0 H GLY A 86 -4.922 10.646 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.730 12.385 -12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.434 13.317 -11.841 1.00 0.00 H new