USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 106 THR OG1 : rot 71:sc= 1.04 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.51 K(o=2.4,f=-5!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -176:sc= 0.875 (180deg=-0.193) USER MOD Set 3.1: A 66 TYR OH : rot -143:sc= 0.634 USER MOD Set 3.2: A 74 LYS NZ :NH3+ -104:sc= 0.519 (180deg=0) USER MOD Set 4.1: A 42 CYS SG : rot -21:sc= 0.251 USER MOD Set 4.2: A 62 CYS SG : rot -135:sc= 0.516 USER MOD Set 5.1: A 17 GLN : amide:sc= 0.837 K(o=1.8,f=-3.1) USER MOD Set 5.2: A 20 LYS NZ :NH3+ -176:sc= 0.976 (180deg=0) USER MOD Set 6.1: A 3 GLN : amide:sc= -0.331 K(o=1.2,f=-2.6!) USER MOD Set 6.2: A 33 LYS NZ :NH3+ 157:sc= 1.53 (180deg=0.888) USER MOD Single : A 6 SER OG : rot 69:sc= 1.08 USER MOD Single : A 7 GLN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.195 F(o=-1,f=-0.19) USER MOD Single : A 14 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.18) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0.979 (180deg=0.837) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= -0.024 (180deg=-0.132) USER MOD Single : A 41 THR OG1 : rot -139:sc= 0.085 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= -0.0114 (180deg=-0.0652) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.79) USER MOD Single : A 69 THR OG1 : rot 71:sc= 0.915 USER MOD Single : A 78 THR OG1 : rot -38:sc= 0.0198 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -117:sc= 0.632 USER MOD Single : A 92 LYS NZ :NH3+ -177:sc= 1.57 (180deg=1.57) USER MOD Single : A 93 LYS NZ :NH3+ 142:sc= 0.144 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.137 K(o=-0.14,f=-6.5!) USER MOD Single : A 98 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.1) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.26 K(o=0.26,f=-1.6) USER MOD Single : A 111 LYS NZ :NH3+ -178:sc= 0.741 (180deg=0.739) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.350 0.648 1.803 1.00 25.00 N ATOM 44 CA GLY A 2 0.843 1.395 2.950 1.00 25.00 C ATOM 45 C GLY A 2 0.464 2.845 2.714 1.00 25.00 C ATOM 46 O GLY A 2 -0.528 3.309 3.268 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.034 0.874 3.333 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.599 1.366 3.735 1.00 25.00 H new ATOM 50 N GLN A 3 1.213 3.573 1.899 1.00 25.00 N ATOM 51 CA GLN A 3 0.900 4.984 1.677 1.00 25.00 C ATOM 52 C GLN A 3 -0.408 5.202 0.905 1.00 25.00 C ATOM 53 O GLN A 3 -1.071 6.223 1.104 1.00 25.00 O ATOM 54 CB GLN A 3 2.053 5.701 0.970 1.00 25.00 C ATOM 55 CG GLN A 3 3.289 5.869 1.870 1.00 25.00 C ATOM 56 CD GLN A 3 4.410 6.688 1.236 1.00 25.00 C ATOM 57 OE1 GLN A 3 5.484 6.820 1.812 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.164 7.256 0.083 1.00 25.00 N ATOM 0 H GLN A 3 2.025 3.224 1.389 1.00 25.00 H new ATOM 0 HA GLN A 3 0.760 5.416 2.668 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.332 5.140 0.078 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.715 6.682 0.637 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.986 6.347 2.801 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.675 4.883 2.129 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.258 7.124 -0.368 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.878 7.831 -0.365 1.00 25.00 H new ATOM 67 N GLU A 4 -0.818 4.257 0.068 1.00 25.00 N ATOM 68 CA GLU A 4 -2.096 4.400 -0.641 1.00 25.00 C ATOM 69 C GLU A 4 -3.242 4.126 0.334 1.00 25.00 C ATOM 70 O GLU A 4 -4.318 4.712 0.232 1.00 25.00 O ATOM 71 CB GLU A 4 -2.177 3.467 -1.870 1.00 25.00 C ATOM 72 CG GLU A 4 -2.835 2.100 -1.617 1.00 25.00 C ATOM 73 CD GLU A 4 -2.877 1.221 -2.847 1.00 25.00 C ATOM 74 OE1 GLU A 4 -1.819 1.009 -3.479 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.979 0.744 -3.191 1.00 25.00 O ATOM 0 H GLU A 4 -0.303 3.401 -0.138 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.175 5.420 -1.017 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.731 3.978 -2.657 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.168 3.301 -2.247 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.290 1.583 -0.827 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.851 2.255 -1.254 1.00 25.00 H new ATOM 82 N LEU A 5 -3.000 3.257 1.308 1.00 25.00 N ATOM 83 CA LEU A 5 -4.044 2.873 2.249 1.00 25.00 C ATOM 84 C LEU A 5 -4.462 4.055 3.117 1.00 25.00 C ATOM 85 O LEU A 5 -5.643 4.223 3.385 1.00 25.00 O ATOM 86 CB LEU A 5 -3.598 1.681 3.115 1.00 25.00 C ATOM 87 CG LEU A 5 -3.788 0.236 2.588 1.00 25.00 C ATOM 88 CD1 LEU A 5 -5.080 0.075 1.869 1.00 25.00 C ATOM 89 CD2 LEU A 5 -2.637 -0.227 1.711 1.00 25.00 C ATOM 0 H LEU A 5 -2.098 2.808 1.466 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.914 2.559 1.672 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.537 1.813 3.329 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.127 1.753 4.066 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.802 -0.401 3.472 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -5.174 -0.952 1.516 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -5.904 0.303 2.545 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -5.110 0.756 1.018 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -2.825 -1.245 1.371 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.549 0.433 0.848 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -1.710 -0.201 2.284 1.00 25.00 H new ATOM 101 N SER A 6 -3.521 4.919 3.476 1.00 25.00 N ATOM 102 CA SER A 6 -3.836 6.163 4.186 1.00 25.00 C ATOM 103 C SER A 6 -4.738 7.131 3.428 1.00 25.00 C ATOM 104 O SER A 6 -5.298 8.044 4.026 1.00 25.00 O ATOM 105 CB SER A 6 -2.537 6.906 4.502 1.00 25.00 C ATOM 106 OG SER A 6 -1.434 6.257 3.892 1.00 25.00 O ATOM 0 H SER A 6 -2.527 4.785 3.288 1.00 25.00 H new ATOM 0 HA SER A 6 -4.380 5.850 5.077 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.604 7.934 4.147 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.389 6.950 5.581 1.00 25.00 H new ATOM 0 HG SER A 6 -1.492 6.359 2.919 1.00 25.00 H new ATOM 112 N GLN A 7 -4.849 6.964 2.119 1.00 25.00 N ATOM 113 CA GLN A 7 -5.659 7.860 1.295 1.00 25.00 C ATOM 114 C GLN A 7 -7.030 7.244 1.024 1.00 25.00 C ATOM 115 O GLN A 7 -7.970 7.932 0.643 1.00 25.00 O ATOM 116 CB GLN A 7 -4.933 8.126 -0.027 1.00 25.00 C ATOM 117 CG GLN A 7 -3.547 8.745 0.166 1.00 25.00 C ATOM 118 CD GLN A 7 -2.813 8.936 -1.139 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.166 9.775 -1.945 1.00 25.00 O ATOM 120 NE2 GLN A 7 -1.779 8.162 -1.343 1.00 25.00 N ATOM 0 H GLN A 7 -4.389 6.216 1.600 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.804 8.800 1.827 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.833 7.189 -0.575 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.540 8.792 -0.641 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.649 9.708 0.666 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.955 8.106 0.822 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.514 7.470 -0.642 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.237 8.251 -2.203 1.00 25.00 H new ATOM 129 N HIS A 8 -7.132 5.937 1.222 1.00 25.00 N ATOM 130 CA HIS A 8 -8.368 5.205 0.937 1.00 25.00 C ATOM 131 C HIS A 8 -9.348 5.338 2.089 1.00 25.00 C ATOM 132 O HIS A 8 -9.297 4.552 3.031 1.00 25.00 O ATOM 133 CB HIS A 8 -8.038 3.727 0.709 1.00 25.00 C ATOM 134 CG HIS A 8 -9.176 2.931 0.147 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.644 1.692 0.440 1.00 25.00 N flip ATOM 136 CD2 HIS A 8 -10.005 3.386 -0.880 1.00 25.00 C flip ATOM 137 CE1 HIS A 8 -10.689 1.415 -0.385 1.00 25.00 C flip ATOM 138 NE2 HIS A 8 -10.890 2.440 -1.167 1.00 25.00 N flip ATOM 0 H HIS A 8 -6.374 5.356 1.580 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.828 5.625 0.043 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.187 3.655 0.031 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.730 3.283 1.656 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.937 4.350 -1.362 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -11.259 0.498 -0.392 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -11.612 2.504 -1.884 1.00 25.00 H new ATOM 146 N GLU A 9 -10.233 6.322 2.036 1.00 25.00 N ATOM 147 CA GLU A 9 -11.126 6.607 3.162 1.00 25.00 C ATOM 148 C GLU A 9 -11.927 5.384 3.622 1.00 25.00 C ATOM 149 O GLU A 9 -12.052 5.153 4.809 1.00 25.00 O ATOM 150 CB GLU A 9 -12.060 7.774 2.823 1.00 25.00 C ATOM 151 CG GLU A 9 -13.031 8.174 3.953 1.00 25.00 C ATOM 152 CD GLU A 9 -12.339 8.762 5.195 1.00 25.00 C ATOM 153 OE1 GLU A 9 -11.731 8.002 5.981 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.492 9.980 5.444 1.00 25.00 O ATOM 0 H GLU A 9 -10.356 6.937 1.232 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.490 6.888 4.001 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.454 8.641 2.559 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.641 7.511 1.939 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -13.741 8.904 3.566 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -13.606 7.297 4.251 1.00 25.00 H new ATOM 161 N ARG A 10 -12.397 4.551 2.704 1.00 25.00 N ATOM 162 CA ARG A 10 -13.152 3.353 3.090 1.00 25.00 C ATOM 163 C ARG A 10 -12.387 2.431 4.052 1.00 25.00 C ATOM 164 O ARG A 10 -12.975 1.803 4.936 1.00 25.00 O ATOM 165 CB ARG A 10 -13.541 2.587 1.825 1.00 25.00 C ATOM 166 CG ARG A 10 -14.619 1.537 2.024 1.00 25.00 C ATOM 167 CD ARG A 10 -15.986 2.173 2.297 1.00 25.00 C ATOM 168 NE ARG A 10 -16.270 2.349 3.734 1.00 25.00 N ATOM 169 CZ ARG A 10 -16.658 1.392 4.572 1.00 25.00 C ATOM 170 NH1 ARG A 10 -16.819 0.145 4.193 1.00 25.00 N ATOM 171 NH2 ARG A 10 -16.892 1.694 5.814 1.00 25.00 N ATOM 0 H ARG A 10 -12.275 4.674 1.699 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.037 3.686 3.632 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.882 3.301 1.075 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.651 2.103 1.422 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -14.681 0.907 1.137 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.346 0.889 2.857 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -16.033 3.143 1.803 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -16.764 1.551 1.853 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.159 3.287 4.119 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -16.645 -0.120 3.224 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -17.118 -0.559 4.868 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -16.778 2.655 6.135 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -17.190 0.970 6.467 1.00 25.00 H new ATOM 185 N TYR A 11 -11.075 2.383 3.894 1.00 25.00 N ATOM 186 CA TYR A 11 -10.213 1.577 4.754 1.00 25.00 C ATOM 187 C TYR A 11 -9.788 2.382 5.982 1.00 25.00 C ATOM 188 O TYR A 11 -9.778 1.873 7.109 1.00 25.00 O ATOM 189 CB TYR A 11 -8.989 1.151 3.954 1.00 25.00 C ATOM 190 CG TYR A 11 -7.931 0.467 4.771 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.127 -0.834 5.272 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.710 1.111 5.038 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.114 -1.475 6.028 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.699 0.462 5.781 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.910 -0.822 6.268 1.00 25.00 C ATOM 196 OH TYR A 11 -4.917 -1.433 6.986 1.00 25.00 O ATOM 0 H TYR A 11 -10.575 2.898 3.170 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.755 0.696 5.097 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.306 0.481 3.155 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.554 2.031 3.479 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.057 -1.348 5.079 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.543 2.113 4.671 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.277 -2.469 6.417 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.762 0.964 5.971 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.146 -0.832 7.056 1.00 25.00 H new ATOM 206 N VAL A 12 -9.486 3.654 5.767 1.00 25.00 N ATOM 207 CA VAL A 12 -9.130 4.570 6.855 1.00 25.00 C ATOM 208 C VAL A 12 -10.264 4.654 7.890 1.00 25.00 C ATOM 209 O VAL A 12 -9.992 4.752 9.078 1.00 25.00 O ATOM 210 CB VAL A 12 -8.790 5.984 6.290 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.576 7.003 7.397 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.527 5.921 5.439 1.00 25.00 C ATOM 0 H VAL A 12 -9.479 4.084 4.842 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.244 4.179 7.356 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.642 6.298 5.687 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.342 7.973 6.958 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.483 7.085 7.996 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.750 6.683 8.032 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.300 6.914 5.050 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.694 5.571 6.049 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.682 5.233 4.608 1.00 25.00 H new ATOM 222 N GLU A 13 -11.515 4.527 7.466 1.00 25.00 N ATOM 223 CA GLU A 13 -12.658 4.489 8.393 1.00 25.00 C ATOM 224 C GLU A 13 -12.462 3.426 9.476 1.00 25.00 C ATOM 225 O GLU A 13 -12.684 3.683 10.665 1.00 25.00 O ATOM 226 CB GLU A 13 -13.952 4.161 7.640 1.00 25.00 C ATOM 227 CG GLU A 13 -14.603 5.335 6.919 1.00 25.00 C ATOM 228 CD GLU A 13 -15.810 4.885 6.107 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.779 4.386 6.717 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.773 4.946 4.859 1.00 25.00 O ATOM 0 H GLU A 13 -11.773 4.448 6.482 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.725 5.474 8.854 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.740 3.380 6.910 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.670 3.748 8.348 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.911 6.086 7.647 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.875 5.809 6.260 1.00 25.00 H new ATOM 237 N GLN A 14 -12.017 2.243 9.079 1.00 25.00 N ATOM 238 CA GLN A 14 -11.788 1.168 10.037 1.00 25.00 C ATOM 239 C GLN A 14 -10.556 1.463 10.877 1.00 25.00 C ATOM 240 O GLN A 14 -10.560 1.244 12.085 1.00 25.00 O ATOM 241 CB GLN A 14 -11.603 -0.179 9.329 1.00 25.00 C ATOM 242 CG GLN A 14 -12.845 -0.674 8.595 1.00 25.00 C ATOM 243 CD GLN A 14 -14.061 -0.767 9.501 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.079 -0.150 9.242 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.959 -1.530 10.562 1.00 25.00 N ATOM 0 H GLN A 14 -11.808 2.003 8.110 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.666 1.108 10.680 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.783 -0.093 8.616 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.307 -0.926 10.065 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.065 -0.001 7.766 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.641 -1.654 8.164 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.091 -2.032 10.747 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.748 -1.622 11.202 1.00 25.00 H new ATOM 254 N LEU A 15 -9.502 1.975 10.259 1.00 25.00 N ATOM 255 CA LEU A 15 -8.274 2.262 11.002 1.00 25.00 C ATOM 256 C LEU A 15 -8.423 3.423 11.979 1.00 25.00 C ATOM 257 O LEU A 15 -7.730 3.465 12.990 1.00 25.00 O ATOM 258 CB LEU A 15 -7.104 2.540 10.060 1.00 25.00 C ATOM 259 CG LEU A 15 -6.455 1.351 9.334 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.125 1.836 8.781 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.210 0.131 10.242 1.00 25.00 C ATOM 0 H LEU A 15 -9.466 2.198 9.264 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.069 1.363 11.583 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.447 3.245 9.303 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.327 3.043 10.635 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.139 1.015 8.554 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.630 1.019 8.256 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.298 2.660 8.089 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.493 2.177 9.601 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.750 -0.668 9.661 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.547 0.413 11.060 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.160 -0.216 10.649 1.00 25.00 H new ATOM 273 N LYS A 16 -9.360 4.327 11.726 1.00 25.00 N ATOM 274 CA LYS A 16 -9.648 5.424 12.657 1.00 25.00 C ATOM 275 C LYS A 16 -10.093 4.827 13.980 1.00 25.00 C ATOM 276 O LYS A 16 -9.744 5.326 15.047 1.00 25.00 O ATOM 277 CB LYS A 16 -10.739 6.343 12.089 1.00 25.00 C ATOM 278 CG LYS A 16 -10.215 7.410 11.120 1.00 25.00 C ATOM 279 CD LYS A 16 -11.349 7.987 10.260 1.00 25.00 C ATOM 280 CE LYS A 16 -10.867 9.165 9.403 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.856 9.515 8.319 1.00 25.00 N ATOM 0 H LYS A 16 -9.937 4.327 10.885 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.751 6.026 12.805 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.482 5.733 11.574 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.250 6.837 12.915 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.738 8.212 11.683 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.451 6.975 10.475 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -11.749 7.206 9.613 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.164 8.315 10.905 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.704 10.034 10.040 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -9.907 8.916 8.951 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -11.579 10.413 7.873 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -11.867 8.762 7.602 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.805 9.612 8.733 1.00 25.00 H new ATOM 295 N GLN A 17 -10.819 3.723 13.912 1.00 25.00 N ATOM 296 CA GLN A 17 -11.228 3.018 15.116 1.00 25.00 C ATOM 297 C GLN A 17 -10.127 2.075 15.615 1.00 25.00 C ATOM 298 O GLN A 17 -9.903 1.975 16.813 1.00 25.00 O ATOM 299 CB GLN A 17 -12.507 2.218 14.854 1.00 25.00 C ATOM 300 CG GLN A 17 -13.716 3.059 14.436 1.00 25.00 C ATOM 301 CD GLN A 17 -14.237 3.958 15.549 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.904 3.793 16.723 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.066 4.900 15.190 1.00 25.00 N ATOM 0 H GLN A 17 -11.136 3.297 13.041 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.416 3.765 15.887 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.306 1.483 14.074 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.763 1.663 15.756 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.443 3.674 13.579 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.517 2.395 14.110 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.320 5.009 14.208 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.459 5.528 15.891 1.00 25.00 H new ATOM 312 N ALA A 18 -9.448 1.381 14.711 1.00 25.00 N ATOM 313 CA ALA A 18 -8.449 0.382 15.102 1.00 25.00 C ATOM 314 C ALA A 18 -7.171 0.964 15.747 1.00 25.00 C ATOM 315 O ALA A 18 -6.688 0.415 16.735 1.00 25.00 O ATOM 316 CB ALA A 18 -8.098 -0.505 13.907 1.00 25.00 C ATOM 0 H ALA A 18 -9.567 1.487 13.704 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.916 -0.213 15.887 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.355 -1.244 14.208 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.995 -1.015 13.556 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.693 0.110 13.104 1.00 25.00 H new ATOM 322 N LEU A 19 -6.642 2.076 15.238 1.00 25.00 N ATOM 323 CA LEU A 19 -5.459 2.704 15.866 1.00 25.00 C ATOM 324 C LEU A 19 -5.858 3.097 17.288 1.00 25.00 C ATOM 325 O LEU A 19 -5.124 2.884 18.255 1.00 25.00 O ATOM 326 CB LEU A 19 -5.004 3.979 15.117 1.00 25.00 C ATOM 327 CG LEU A 19 -3.860 3.888 14.080 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.315 3.320 12.744 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.271 5.286 13.830 1.00 25.00 C ATOM 0 H LEU A 19 -6.997 2.559 14.412 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.631 1.995 15.842 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.876 4.386 14.605 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.706 4.710 15.869 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.115 3.212 14.501 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.469 3.281 12.058 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.709 2.315 12.891 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.093 3.957 12.324 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.466 5.216 13.099 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.050 5.946 13.450 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.879 5.688 14.764 1.00 25.00 H new ATOM 341 N LYS A 20 -7.062 3.644 17.396 1.00 25.00 N ATOM 342 CA LYS A 20 -7.617 4.084 18.672 1.00 25.00 C ATOM 343 C LYS A 20 -7.835 2.917 19.637 1.00 25.00 C ATOM 344 O LYS A 20 -7.525 3.032 20.813 1.00 25.00 O ATOM 345 CB LYS A 20 -8.942 4.817 18.396 1.00 25.00 C ATOM 346 CG LYS A 20 -9.726 5.275 19.634 1.00 25.00 C ATOM 347 CD LYS A 20 -11.227 4.997 19.468 1.00 25.00 C ATOM 348 CE LYS A 20 -11.546 3.499 19.623 1.00 25.00 C ATOM 349 NZ LYS A 20 -13.000 3.210 19.404 1.00 25.00 N ATOM 0 H LYS A 20 -7.683 3.796 16.601 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.906 4.755 19.154 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.730 5.691 17.780 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.582 4.160 17.807 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.352 4.758 20.518 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.566 6.341 19.797 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.787 5.568 20.209 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.555 5.340 18.487 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.951 2.926 18.912 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.257 3.168 20.620 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -13.185 2.202 19.584 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.571 3.788 20.054 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -13.255 3.439 18.422 1.00 25.00 H new ATOM 363 N THR A 21 -8.377 1.804 19.162 1.00 25.00 N ATOM 364 CA THR A 21 -8.710 0.689 20.056 1.00 25.00 C ATOM 365 C THR A 21 -7.474 -0.062 20.544 1.00 25.00 C ATOM 366 O THR A 21 -7.512 -0.699 21.588 1.00 25.00 O ATOM 367 CB THR A 21 -9.746 -0.286 19.415 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.516 -0.897 20.452 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.093 -1.391 18.592 1.00 25.00 C ATOM 0 H THR A 21 -8.595 1.644 18.179 1.00 25.00 H new ATOM 0 HA THR A 21 -9.177 1.136 20.933 1.00 25.00 H new ATOM 0 HB THR A 21 -10.368 0.307 18.744 1.00 25.00 H new ATOM 0 HG1 THR A 21 -11.170 -1.510 20.056 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.865 -2.036 18.172 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.512 -0.947 17.784 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.435 -1.980 19.231 1.00 25.00 H new ATOM 377 N ARG A 22 -6.357 0.075 19.837 1.00 25.00 N ATOM 378 CA ARG A 22 -5.084 -0.491 20.300 1.00 25.00 C ATOM 379 C ARG A 22 -4.516 0.372 21.428 1.00 25.00 C ATOM 380 O ARG A 22 -3.569 -0.016 22.098 1.00 25.00 O ATOM 381 CB ARG A 22 -4.069 -0.524 19.152 1.00 25.00 C ATOM 382 CG ARG A 22 -3.531 -1.909 18.763 1.00 25.00 C ATOM 383 CD ARG A 22 -2.739 -2.620 19.876 1.00 25.00 C ATOM 384 NE ARG A 22 -1.772 -1.751 20.566 1.00 25.00 N ATOM 385 CZ ARG A 22 -0.849 -2.164 21.429 1.00 25.00 C ATOM 386 NH1 ARG A 22 -0.670 -3.421 21.732 1.00 25.00 N ATOM 387 NH2 ARG A 22 -0.086 -1.278 22.006 1.00 25.00 N ATOM 0 H ARG A 22 -6.302 0.569 18.946 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.266 -1.505 20.657 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.532 -0.077 18.272 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.224 0.108 19.424 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -4.369 -2.541 18.469 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.889 -1.803 17.888 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.440 -3.021 20.608 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.208 -3.469 19.445 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.813 -0.752 20.366 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -1.253 -4.138 21.300 1.00 25.00 H new ATOM 0 HH12 ARG A 22 0.053 -3.686 22.401 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -0.203 -0.288 21.792 1.00 25.00 H new ATOM 0 HH22 ARG A 22 0.628 -1.575 22.671 1.00 25.00 H new ATOM 401 N GLY A 23 -5.047 1.579 21.577 1.00 25.00 N ATOM 402 CA GLY A 23 -4.553 2.499 22.588 1.00 25.00 C ATOM 403 C GLY A 23 -3.191 3.058 22.227 1.00 25.00 C ATOM 404 O GLY A 23 -2.452 3.516 23.094 1.00 25.00 O ATOM 0 H GLY A 23 -5.816 1.940 21.013 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.261 3.319 22.710 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.492 1.985 23.547 1.00 25.00 H new ATOM 408 N VAL A 24 -2.831 2.989 20.953 1.00 25.00 N ATOM 409 CA VAL A 24 -1.498 3.399 20.520 1.00 25.00 C ATOM 410 C VAL A 24 -1.530 4.786 19.873 1.00 25.00 C ATOM 411 O VAL A 24 -2.220 5.037 18.883 1.00 25.00 O ATOM 412 CB VAL A 24 -0.838 2.304 19.611 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.632 2.053 18.312 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.609 2.671 19.297 1.00 25.00 C ATOM 0 H VAL A 24 -3.437 2.656 20.204 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.859 3.490 21.399 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.854 1.371 20.174 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.130 1.286 17.721 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.639 1.719 18.560 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.688 2.976 17.736 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.051 1.900 18.666 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.637 3.628 18.775 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.175 2.748 20.226 1.00 25.00 H new ATOM 424 N LYS A 25 -0.799 5.709 20.481 1.00 25.00 N ATOM 425 CA LYS A 25 -0.749 7.091 20.010 1.00 25.00 C ATOM 426 C LYS A 25 0.344 7.234 18.951 1.00 25.00 C ATOM 427 O LYS A 25 1.464 7.635 19.249 1.00 25.00 O ATOM 428 CB LYS A 25 -0.494 8.030 21.197 1.00 25.00 C ATOM 429 CG LYS A 25 -0.652 9.515 20.873 1.00 25.00 C ATOM 430 CD LYS A 25 -0.313 10.362 22.094 1.00 25.00 C ATOM 431 CE LYS A 25 -0.501 11.849 21.808 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.114 12.683 23.002 1.00 25.00 N ATOM 0 H LYS A 25 -0.228 5.527 21.307 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.702 7.362 19.556 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -1.181 7.771 22.003 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.515 7.858 21.571 1.00 25.00 H new ATOM 0 HG2 LYS A 25 0.001 9.784 20.043 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.674 9.718 20.554 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.947 10.068 22.931 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.718 10.175 22.394 1.00 25.00 H new ATOM 0 HE2 LYS A 25 0.104 12.137 20.948 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -1.541 12.044 21.546 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -0.251 13.690 22.781 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.708 12.423 23.815 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 0.885 12.513 23.235 1.00 25.00 H new ATOM 446 N VAL A 26 0.003 6.917 17.713 1.00 25.00 N ATOM 447 CA VAL A 26 0.931 7.045 16.584 1.00 25.00 C ATOM 448 C VAL A 26 0.332 7.986 15.560 1.00 25.00 C ATOM 449 O VAL A 26 -0.888 8.140 15.471 1.00 25.00 O ATOM 450 CB VAL A 26 1.235 5.667 15.899 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.348 4.941 16.654 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.020 4.795 15.833 1.00 25.00 C ATOM 0 H VAL A 26 -0.919 6.565 17.455 1.00 25.00 H new ATOM 0 HA VAL A 26 1.873 7.434 16.972 1.00 25.00 H new ATOM 0 HB VAL A 26 1.564 5.859 14.878 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.552 3.985 16.171 1.00 25.00 H new ATOM 0 HG12 VAL A 26 3.251 5.551 16.646 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.036 4.768 17.684 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.221 3.846 15.353 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.387 4.608 16.842 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.790 5.308 15.256 1.00 25.00 H new ATOM 462 N LYS A 27 1.194 8.625 14.784 1.00 25.00 N ATOM 463 CA LYS A 27 0.748 9.497 13.704 1.00 25.00 C ATOM 464 C LYS A 27 0.160 8.557 12.664 1.00 25.00 C ATOM 465 O LYS A 27 0.748 7.537 12.358 1.00 25.00 O ATOM 466 CB LYS A 27 1.945 10.296 13.163 1.00 25.00 C ATOM 467 CG LYS A 27 1.656 11.176 11.938 1.00 25.00 C ATOM 468 CD LYS A 27 2.865 12.076 11.567 1.00 25.00 C ATOM 469 CE LYS A 27 4.076 11.267 11.054 1.00 25.00 C ATOM 470 NZ LYS A 27 5.253 12.134 10.679 1.00 25.00 N ATOM 0 H LYS A 27 2.207 8.557 14.881 1.00 25.00 H new ATOM 0 HA LYS A 27 0.009 10.235 14.017 1.00 25.00 H new ATOM 0 HB2 LYS A 27 2.326 10.931 13.963 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.740 9.596 12.906 1.00 25.00 H new ATOM 0 HG2 LYS A 27 1.403 10.542 11.088 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.787 11.802 12.139 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.560 12.790 10.802 1.00 25.00 H new ATOM 0 HD3 LYS A 27 3.164 12.654 12.441 1.00 25.00 H new ATOM 0 HE2 LYS A 27 4.385 10.559 11.824 1.00 25.00 H new ATOM 0 HE3 LYS A 27 3.773 10.682 10.186 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 6.033 11.534 10.343 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 4.973 12.793 9.924 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 5.566 12.674 11.511 1.00 25.00 H new ATOM 484 N PHE A 28 -1.012 8.884 12.145 1.00 25.00 N ATOM 485 CA PHE A 28 -1.707 8.003 11.204 1.00 25.00 C ATOM 486 C PHE A 28 -0.850 7.690 9.986 1.00 25.00 C ATOM 487 O PHE A 28 -0.673 6.536 9.629 1.00 25.00 O ATOM 488 CB PHE A 28 -3.013 8.678 10.765 1.00 25.00 C ATOM 489 CG PHE A 28 -4.167 7.731 10.618 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.336 6.970 9.448 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.114 7.613 11.651 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.438 6.088 9.313 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.213 6.740 11.528 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.379 5.981 10.357 1.00 25.00 C ATOM 0 H PHE A 28 -1.507 9.751 12.355 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.918 7.059 11.706 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.276 9.446 11.493 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.847 9.184 9.814 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.620 7.058 8.644 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.997 8.199 12.550 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.556 5.501 8.414 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.928 6.654 12.333 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.225 5.317 10.257 1.00 25.00 H new ATOM 504 N ALA A 29 -0.277 8.722 9.383 1.00 25.00 N ATOM 505 CA ALA A 29 0.582 8.541 8.217 1.00 25.00 C ATOM 506 C ALA A 29 1.804 7.678 8.552 1.00 25.00 C ATOM 507 O ALA A 29 2.294 6.952 7.708 1.00 25.00 O ATOM 508 CB ALA A 29 1.025 9.909 7.683 1.00 25.00 C ATOM 0 H ALA A 29 -0.390 9.691 9.679 1.00 25.00 H new ATOM 0 HA ALA A 29 0.011 8.021 7.448 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.666 9.770 6.813 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.148 10.490 7.398 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.576 10.441 8.458 1.00 25.00 H new ATOM 514 N ASP A 30 2.278 7.758 9.787 1.00 25.00 N ATOM 515 CA ASP A 30 3.440 6.972 10.210 1.00 25.00 C ATOM 516 C ASP A 30 3.055 5.511 10.371 1.00 25.00 C ATOM 517 O ASP A 30 3.780 4.633 9.956 1.00 25.00 O ATOM 518 CB ASP A 30 3.983 7.496 11.537 1.00 25.00 C ATOM 519 CG ASP A 30 5.385 7.011 11.830 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.198 6.947 10.890 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.711 6.847 13.024 1.00 25.00 O ATOM 0 H ASP A 30 1.882 8.354 10.514 1.00 25.00 H new ATOM 0 HA ASP A 30 4.210 7.063 9.444 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.976 8.586 11.522 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.320 7.184 12.344 1.00 25.00 H new ATOM 526 N LEU A 31 1.882 5.252 10.933 1.00 25.00 N ATOM 527 CA LEU A 31 1.429 3.875 11.115 1.00 25.00 C ATOM 528 C LEU A 31 1.338 3.202 9.750 1.00 25.00 C ATOM 529 O LEU A 31 1.896 2.129 9.519 1.00 25.00 O ATOM 530 CB LEU A 31 0.075 3.839 11.841 1.00 25.00 C ATOM 531 CG LEU A 31 -0.529 2.460 12.202 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.340 1.883 11.055 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.516 1.441 12.612 1.00 25.00 C ATOM 0 H LEU A 31 1.233 5.964 11.267 1.00 25.00 H new ATOM 0 HA LEU A 31 2.144 3.334 11.735 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.178 4.409 12.765 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.649 4.367 11.220 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.178 2.652 13.056 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.747 0.915 11.348 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.157 2.561 10.810 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.699 1.758 10.183 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.028 0.496 12.852 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.217 1.289 11.792 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.055 1.804 13.487 1.00 25.00 H new ATOM 545 N LEU A 32 0.662 3.866 8.831 1.00 25.00 N ATOM 546 CA LEU A 32 0.541 3.356 7.464 1.00 25.00 C ATOM 547 C LEU A 32 1.887 3.247 6.754 1.00 25.00 C ATOM 548 O LEU A 32 2.083 2.359 5.929 1.00 25.00 O ATOM 549 CB LEU A 32 -0.377 4.251 6.633 1.00 25.00 C ATOM 550 CG LEU A 32 -1.888 3.987 6.710 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.264 2.575 6.332 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.440 4.295 8.063 1.00 25.00 C ATOM 0 H LEU A 32 0.189 4.754 8.997 1.00 25.00 H new ATOM 0 HA LEU A 32 0.119 2.355 7.552 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.201 5.284 6.933 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.074 4.166 5.589 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.330 4.662 5.977 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.345 2.454 6.407 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.947 2.376 5.308 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.773 1.874 7.007 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.511 4.094 8.073 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.947 3.671 8.808 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.265 5.345 8.297 1.00 25.00 H new ATOM 564 N LYS A 33 2.834 4.111 7.088 1.00 25.00 N ATOM 565 CA LYS A 33 4.158 4.052 6.461 1.00 25.00 C ATOM 566 C LYS A 33 4.874 2.746 6.792 1.00 25.00 C ATOM 567 O LYS A 33 5.639 2.239 5.984 1.00 25.00 O ATOM 568 CB LYS A 33 5.029 5.255 6.874 1.00 25.00 C ATOM 569 CG LYS A 33 6.438 5.259 6.257 1.00 25.00 C ATOM 570 CD LYS A 33 6.393 5.346 4.712 1.00 25.00 C ATOM 571 CE LYS A 33 7.737 5.025 4.074 1.00 25.00 C ATOM 572 NZ LYS A 33 7.608 4.998 2.569 1.00 25.00 N ATOM 0 H LYS A 33 2.720 4.853 7.778 1.00 25.00 H new ATOM 0 HA LYS A 33 4.003 4.094 5.383 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.517 6.174 6.588 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.121 5.266 7.960 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.004 6.103 6.651 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.967 4.353 6.554 1.00 25.00 H new ATOM 0 HD2 LYS A 33 5.640 4.655 4.334 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.083 6.348 4.416 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.475 5.771 4.370 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.097 4.061 4.433 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.539 5.169 2.138 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 7.252 4.068 2.268 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 6.944 5.738 2.264 1.00 25.00 H new ATOM 586 N PHE A 34 4.598 2.151 7.933 1.00 25.00 N ATOM 587 CA PHE A 34 5.229 0.875 8.250 1.00 25.00 C ATOM 588 C PHE A 34 4.634 -0.275 7.441 1.00 25.00 C ATOM 589 O PHE A 34 5.336 -1.229 7.134 1.00 25.00 O ATOM 590 CB PHE A 34 5.238 0.628 9.749 1.00 25.00 C ATOM 591 CG PHE A 34 6.385 1.319 10.430 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.350 2.705 10.640 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.540 0.605 10.795 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.440 3.386 11.217 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.648 1.277 11.372 1.00 25.00 C ATOM 596 CZ PHE A 34 8.592 2.673 11.582 1.00 25.00 C ATOM 0 H PHE A 34 3.960 2.512 8.643 1.00 25.00 H new ATOM 0 HA PHE A 34 6.274 0.927 7.944 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.299 0.977 10.179 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.297 -0.444 9.939 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.470 3.262 10.354 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.584 -0.462 10.635 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.389 4.453 11.378 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.532 0.723 11.650 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.433 3.189 12.022 1.00 25.00 H new ATOM 606 N PHE A 35 3.400 -0.140 6.974 1.00 25.00 N ATOM 607 CA PHE A 35 2.865 -1.109 6.005 1.00 25.00 C ATOM 608 C PHE A 35 3.530 -0.899 4.646 1.00 25.00 C ATOM 609 O PHE A 35 3.660 -1.817 3.849 1.00 25.00 O ATOM 610 CB PHE A 35 1.356 -0.969 5.824 1.00 25.00 C ATOM 611 CG PHE A 35 0.565 -1.283 7.051 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.847 -2.420 7.827 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.493 -0.447 7.425 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.086 -2.710 8.969 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.276 -0.730 8.565 1.00 25.00 C ATOM 616 CZ PHE A 35 -0.984 -1.860 9.342 1.00 25.00 C ATOM 0 H PHE A 35 2.758 0.608 7.237 1.00 25.00 H new ATOM 0 HA PHE A 35 3.077 -2.104 6.397 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.131 0.050 5.510 1.00 25.00 H new ATOM 0 HB3 PHE A 35 1.034 -1.629 5.018 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.656 -3.076 7.542 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -0.714 0.428 6.832 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.316 -3.581 9.564 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.095 -0.080 8.837 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.572 -2.081 10.221 1.00 25.00 H new ATOM 626 N ASP A 36 3.966 0.321 4.390 1.00 25.00 N ATOM 627 CA ASP A 36 4.644 0.648 3.139 1.00 25.00 C ATOM 628 C ASP A 36 6.061 0.080 3.161 1.00 25.00 C ATOM 629 O ASP A 36 6.613 -0.288 2.135 1.00 25.00 O ATOM 630 CB ASP A 36 4.690 2.163 2.971 1.00 25.00 C ATOM 631 CG ASP A 36 4.828 2.584 1.539 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.832 2.469 0.793 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.881 3.159 1.190 1.00 25.00 O ATOM 0 H ASP A 36 3.864 1.108 5.031 1.00 25.00 H new ATOM 0 HA ASP A 36 4.101 0.211 2.301 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.781 2.598 3.387 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.526 2.563 3.545 1.00 25.00 H new ATOM 638 N PHE A 37 6.628 -0.026 4.355 1.00 25.00 N ATOM 639 CA PHE A 37 7.971 -0.574 4.531 1.00 25.00 C ATOM 640 C PHE A 37 8.013 -2.069 4.201 1.00 25.00 C ATOM 641 O PHE A 37 8.977 -2.544 3.605 1.00 25.00 O ATOM 642 CB PHE A 37 8.441 -0.337 5.972 1.00 25.00 C ATOM 643 CG PHE A 37 9.890 -0.675 6.201 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.900 0.253 5.883 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.256 -1.919 6.749 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.268 -0.055 6.109 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.620 -2.244 6.968 1.00 25.00 C ATOM 648 CZ PHE A 37 12.625 -1.306 6.646 1.00 25.00 C ATOM 0 H PHE A 37 6.177 0.262 5.223 1.00 25.00 H new ATOM 0 HA PHE A 37 8.641 -0.063 3.840 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.276 0.709 6.231 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.827 -0.933 6.647 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.631 1.211 5.462 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.489 -2.635 7.006 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.033 0.669 5.869 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.888 -3.206 7.380 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.665 -1.548 6.811 1.00 25.00 H new ATOM 658 N VAL A 38 6.955 -2.805 4.535 1.00 25.00 N ATOM 659 CA VAL A 38 6.915 -4.253 4.254 1.00 25.00 C ATOM 660 C VAL A 38 6.958 -4.517 2.774 1.00 25.00 C ATOM 661 O VAL A 38 7.344 -5.589 2.340 1.00 25.00 O ATOM 662 CB VAL A 38 5.646 -4.981 4.844 1.00 25.00 C ATOM 663 CG1 VAL A 38 5.063 -4.202 5.966 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.520 -5.237 3.791 1.00 25.00 C ATOM 0 H VAL A 38 6.122 -2.437 4.994 1.00 25.00 H new ATOM 0 HA VAL A 38 7.798 -4.659 4.749 1.00 25.00 H new ATOM 0 HB VAL A 38 6.009 -5.949 5.188 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.189 -4.724 6.356 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.804 -4.094 6.758 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.767 -3.216 5.609 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.681 -5.741 4.271 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.184 -4.285 3.379 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.908 -5.864 2.988 1.00 25.00 H new ATOM 674 N LYS A 39 6.546 -3.534 1.994 1.00 25.00 N ATOM 675 CA LYS A 39 6.485 -3.696 0.554 1.00 25.00 C ATOM 676 C LYS A 39 7.886 -3.961 -0.004 1.00 25.00 C ATOM 677 O LYS A 39 8.052 -4.701 -0.965 1.00 25.00 O ATOM 678 CB LYS A 39 5.909 -2.436 -0.091 1.00 25.00 C ATOM 679 CG LYS A 39 5.615 -2.571 -1.589 1.00 25.00 C ATOM 680 CD LYS A 39 5.401 -1.207 -2.267 1.00 25.00 C ATOM 681 CE LYS A 39 6.688 -0.345 -2.293 1.00 25.00 C ATOM 682 NZ LYS A 39 7.850 -1.044 -2.968 1.00 25.00 N ATOM 0 H LYS A 39 6.250 -2.619 2.332 1.00 25.00 H new ATOM 0 HA LYS A 39 5.840 -4.544 0.325 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.987 -2.167 0.425 1.00 25.00 H new ATOM 0 HB3 LYS A 39 6.609 -1.614 0.057 1.00 25.00 H new ATOM 0 HG2 LYS A 39 6.442 -3.090 -2.074 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.727 -3.187 -1.729 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.053 -1.364 -3.288 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.615 -0.664 -1.742 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.482 0.591 -2.812 1.00 25.00 H new ATOM 0 HE3 LYS A 39 6.968 -0.088 -1.271 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 8.628 -0.368 -3.109 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 8.178 -1.829 -2.370 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 7.543 -1.416 -3.890 1.00 25.00 H new ATOM 696 N ASP A 40 8.881 -3.323 0.599 1.00 25.00 N ATOM 697 CA ASP A 40 10.277 -3.451 0.162 1.00 25.00 C ATOM 698 C ASP A 40 10.833 -4.822 0.545 1.00 25.00 C ATOM 699 O ASP A 40 11.572 -5.446 -0.201 1.00 25.00 O ATOM 700 CB ASP A 40 11.120 -2.358 0.836 1.00 25.00 C ATOM 701 CG ASP A 40 12.485 -2.182 0.188 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.525 -1.971 -1.040 1.00 25.00 O ATOM 703 OD2 ASP A 40 13.507 -2.137 0.920 1.00 25.00 O ATOM 0 H ASP A 40 8.751 -2.705 1.400 1.00 25.00 H new ATOM 0 HA ASP A 40 10.319 -3.343 -0.922 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.579 -1.412 0.796 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.252 -2.605 1.889 1.00 25.00 H new ATOM 708 N THR A 41 10.459 -5.278 1.731 1.00 25.00 N ATOM 709 CA THR A 41 10.943 -6.546 2.275 1.00 25.00 C ATOM 710 C THR A 41 10.230 -7.768 1.706 1.00 25.00 C ATOM 711 O THR A 41 10.782 -8.862 1.637 1.00 25.00 O ATOM 712 CB THR A 41 10.688 -6.554 3.779 1.00 25.00 C ATOM 713 OG1 THR A 41 10.530 -5.203 4.222 1.00 25.00 O ATOM 714 CG2 THR A 41 11.826 -7.170 4.523 1.00 25.00 C ATOM 0 H THR A 41 9.813 -4.783 2.346 1.00 25.00 H new ATOM 0 HA THR A 41 11.999 -6.612 2.012 1.00 25.00 H new ATOM 0 HB THR A 41 9.791 -7.142 3.974 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.992 -5.083 5.078 1.00 25.00 H new ATOM 0 HG21 THR A 41 11.611 -7.159 5.591 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.963 -8.199 4.191 1.00 25.00 H new ATOM 0 HG23 THR A 41 12.736 -6.602 4.331 1.00 25.00 H new ATOM 722 N CYS A 42 8.965 -7.587 1.381 1.00 25.00 N ATOM 723 CA CYS A 42 8.101 -8.662 0.905 1.00 25.00 C ATOM 724 C CYS A 42 7.239 -8.226 -0.285 1.00 25.00 C ATOM 725 O CYS A 42 6.037 -7.988 -0.127 1.00 25.00 O ATOM 726 CB CYS A 42 7.172 -9.111 2.037 1.00 25.00 C ATOM 727 SG CYS A 42 8.016 -9.924 3.403 1.00 25.00 S ATOM 0 H CYS A 42 8.498 -6.682 1.439 1.00 25.00 H new ATOM 0 HA CYS A 42 8.747 -9.478 0.581 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.638 -8.242 2.420 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.424 -9.791 1.630 1.00 25.00 H new ATOM 0 HG CYS A 42 9.162 -10.382 2.994 1.00 25.00 H new ATOM 733 N PRO A 43 7.811 -8.180 -1.499 1.00 25.00 N ATOM 734 CA PRO A 43 6.988 -7.797 -2.657 1.00 25.00 C ATOM 735 C PRO A 43 5.976 -8.882 -3.035 1.00 25.00 C ATOM 736 O PRO A 43 4.982 -8.630 -3.709 1.00 25.00 O ATOM 737 CB PRO A 43 8.030 -7.584 -3.757 1.00 25.00 C ATOM 738 CG PRO A 43 9.130 -8.525 -3.403 1.00 25.00 C ATOM 739 CD PRO A 43 9.200 -8.483 -1.894 1.00 25.00 C ATOM 0 HA PRO A 43 6.373 -6.917 -2.467 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.620 -7.803 -4.743 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.380 -6.552 -3.780 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.920 -9.533 -3.762 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.074 -8.217 -3.852 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.538 -9.433 -1.480 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.894 -7.718 -1.544 1.00 25.00 H new ATOM 747 N TRP A 44 6.213 -10.087 -2.540 1.00 25.00 N ATOM 748 CA TRP A 44 5.315 -11.219 -2.737 1.00 25.00 C ATOM 749 C TRP A 44 4.122 -11.188 -1.772 1.00 25.00 C ATOM 750 O TRP A 44 3.163 -11.937 -1.934 1.00 25.00 O ATOM 751 CB TRP A 44 6.112 -12.506 -2.555 1.00 25.00 C ATOM 752 CG TRP A 44 7.176 -12.348 -1.522 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.000 -12.218 -0.197 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.601 -12.266 -1.732 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.187 -12.077 0.464 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.201 -12.091 -0.451 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.430 -12.305 -2.872 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.592 -11.949 -0.282 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.832 -12.165 -2.705 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.397 -11.988 -1.407 1.00 25.00 C ATOM 0 H TRP A 44 7.040 -10.311 -1.986 1.00 25.00 H new ATOM 0 HA TRP A 44 4.903 -11.165 -3.745 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.440 -13.314 -2.266 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.565 -12.792 -3.504 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.035 -12.224 0.288 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.298 -11.978 1.473 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.005 -12.439 -3.856 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.020 -11.813 0.700 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.478 -12.193 -3.570 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.467 -11.883 -1.301 1.00 25.00 H new ATOM 771 N PHE A 45 4.153 -10.314 -0.774 1.00 25.00 N ATOM 772 CA PHE A 45 3.026 -10.215 0.157 1.00 25.00 C ATOM 773 C PHE A 45 1.775 -9.624 -0.530 1.00 25.00 C ATOM 774 O PHE A 45 0.714 -10.257 -0.508 1.00 25.00 O ATOM 775 CB PHE A 45 3.407 -9.416 1.413 1.00 25.00 C ATOM 776 CG PHE A 45 2.359 -9.451 2.489 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.255 -8.578 2.444 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.468 -10.360 3.559 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.264 -8.618 3.450 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.482 -10.403 4.575 1.00 25.00 C ATOM 781 CZ PHE A 45 0.382 -9.530 4.520 1.00 25.00 C ATOM 0 H PHE A 45 4.926 -9.675 -0.587 1.00 25.00 H new ATOM 0 HA PHE A 45 2.775 -11.227 0.475 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.341 -9.809 1.814 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.592 -8.379 1.132 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.165 -7.871 1.633 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.313 -11.032 3.605 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.584 -7.951 3.400 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.575 -11.105 5.390 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.370 -9.557 5.294 1.00 25.00 H new ATOM 791 N PRO A 46 1.882 -8.443 -1.192 1.00 25.00 N ATOM 792 CA PRO A 46 0.654 -8.014 -1.874 1.00 25.00 C ATOM 793 C PRO A 46 0.286 -8.886 -3.076 1.00 25.00 C ATOM 794 O PRO A 46 -0.872 -8.938 -3.474 1.00 25.00 O ATOM 795 CB PRO A 46 0.991 -6.584 -2.313 1.00 25.00 C ATOM 796 CG PRO A 46 2.442 -6.599 -2.517 1.00 25.00 C ATOM 797 CD PRO A 46 2.956 -7.443 -1.384 1.00 25.00 C ATOM 0 HA PRO A 46 -0.218 -8.089 -1.224 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.464 -6.314 -3.228 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.704 -5.857 -1.553 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.705 -7.026 -3.485 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.860 -5.593 -2.488 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.906 -7.916 -1.633 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.121 -6.851 -0.484 1.00 25.00 H new ATOM 805 N GLN A 47 1.264 -9.603 -3.618 1.00 25.00 N ATOM 806 CA GLN A 47 1.034 -10.515 -4.736 1.00 25.00 C ATOM 807 C GLN A 47 0.071 -11.629 -4.319 1.00 25.00 C ATOM 808 O GLN A 47 -0.852 -11.974 -5.053 1.00 25.00 O ATOM 809 CB GLN A 47 2.371 -11.111 -5.175 1.00 25.00 C ATOM 810 CG GLN A 47 2.320 -11.942 -6.443 1.00 25.00 C ATOM 811 CD GLN A 47 3.660 -12.578 -6.750 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.645 -12.341 -6.071 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.697 -13.404 -7.758 1.00 25.00 N ATOM 0 H GLN A 47 2.232 -9.570 -3.299 1.00 25.00 H new ATOM 0 HA GLN A 47 0.588 -9.968 -5.567 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.083 -10.299 -5.320 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.757 -11.733 -4.367 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.563 -12.720 -6.338 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.016 -11.312 -7.279 1.00 25.00 H new ATOM 0 HE21 GLN A 47 2.854 -13.579 -8.305 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.569 -13.875 -8.000 1.00 25.00 H new ATOM 822 N GLU A 48 0.267 -12.175 -3.125 1.00 25.00 N ATOM 823 CA GLU A 48 -0.648 -13.193 -2.611 1.00 25.00 C ATOM 824 C GLU A 48 -1.957 -12.551 -2.187 1.00 25.00 C ATOM 825 O GLU A 48 -3.026 -13.137 -2.357 1.00 25.00 O ATOM 826 CB GLU A 48 -0.062 -13.897 -1.393 1.00 25.00 C ATOM 827 CG GLU A 48 1.053 -14.874 -1.706 1.00 25.00 C ATOM 828 CD GLU A 48 1.498 -15.620 -0.464 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.913 -15.377 0.616 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.433 -16.434 -0.532 1.00 25.00 O ATOM 0 H GLU A 48 1.038 -11.937 -2.501 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.811 -13.916 -3.410 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.316 -13.144 -0.701 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.861 -14.430 -0.878 1.00 25.00 H new ATOM 0 HG2 GLU A 48 0.714 -15.586 -2.459 1.00 25.00 H new ATOM 0 HG3 GLU A 48 1.900 -14.337 -2.133 1.00 25.00 H new ATOM 837 N GLY A 49 -1.867 -11.362 -1.602 1.00 25.00 N ATOM 838 CA GLY A 49 -3.048 -10.656 -1.124 1.00 25.00 C ATOM 839 C GLY A 49 -3.828 -11.466 -0.115 1.00 25.00 C ATOM 840 O GLY A 49 -5.045 -11.406 -0.080 1.00 25.00 O ATOM 0 H GLY A 49 -0.988 -10.867 -1.448 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.746 -9.711 -0.673 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.692 -10.415 -1.970 1.00 25.00 H new ATOM 844 N THR A 50 -3.118 -12.261 0.670 1.00 25.00 N ATOM 845 CA THR A 50 -3.730 -13.120 1.673 1.00 25.00 C ATOM 846 C THR A 50 -3.158 -12.699 3.012 1.00 25.00 C ATOM 847 O THR A 50 -1.934 -12.674 3.185 1.00 25.00 O ATOM 848 CB THR A 50 -3.407 -14.601 1.404 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.800 -14.944 0.074 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.144 -15.512 2.368 1.00 25.00 C ATOM 0 H THR A 50 -2.101 -12.329 0.630 1.00 25.00 H new ATOM 0 HA THR A 50 -4.815 -13.019 1.652 1.00 25.00 H new ATOM 0 HB THR A 50 -2.334 -14.735 1.538 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.592 -15.887 -0.096 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.894 -16.550 2.151 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.850 -15.274 3.390 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.219 -15.367 2.256 1.00 25.00 H new ATOM 858 N ILE A 51 -4.021 -12.298 3.932 1.00 25.00 N ATOM 859 CA ILE A 51 -3.589 -11.702 5.190 1.00 25.00 C ATOM 860 C ILE A 51 -4.137 -12.481 6.379 1.00 25.00 C ATOM 861 O ILE A 51 -5.292 -12.371 6.779 1.00 25.00 O ATOM 862 CB ILE A 51 -3.994 -10.205 5.261 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.392 -9.455 4.052 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.494 -9.549 6.585 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.840 -8.038 3.913 1.00 25.00 C ATOM 0 H ILE A 51 -5.033 -12.375 3.831 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.501 -11.754 5.234 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.082 -10.140 5.238 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.305 -9.472 4.135 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.650 -9.995 3.141 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.792 -8.501 6.607 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.932 -10.069 7.437 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.407 -9.618 6.638 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.367 -7.591 3.038 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.923 -8.009 3.795 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.557 -7.478 4.804 1.00 25.00 H new ATOM 877 N ASP A 52 -3.244 -13.252 6.963 1.00 25.00 N ATOM 878 CA ASP A 52 -3.513 -14.005 8.173 1.00 25.00 C ATOM 879 C ASP A 52 -2.209 -13.944 8.925 1.00 25.00 C ATOM 880 O ASP A 52 -1.196 -13.560 8.356 1.00 25.00 O ATOM 881 CB ASP A 52 -3.860 -15.455 7.870 1.00 25.00 C ATOM 882 CG ASP A 52 -4.010 -16.273 9.120 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.755 -15.843 10.020 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.191 -17.195 9.307 1.00 25.00 O ATOM 0 H ASP A 52 -2.296 -13.376 6.606 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.362 -13.599 8.724 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.787 -15.494 7.299 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.081 -15.890 7.244 1.00 25.00 H new ATOM 889 N ILE A 53 -2.202 -14.326 10.185 1.00 25.00 N ATOM 890 CA ILE A 53 -0.994 -14.258 10.980 1.00 25.00 C ATOM 891 C ILE A 53 0.062 -15.227 10.466 1.00 25.00 C ATOM 892 O ILE A 53 1.251 -14.968 10.575 1.00 25.00 O ATOM 893 CB ILE A 53 -1.334 -14.494 12.452 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.132 -14.166 13.357 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.828 -15.925 12.702 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.363 -12.736 13.300 1.00 25.00 C ATOM 0 H ILE A 53 -3.018 -14.686 10.680 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.562 -13.261 10.890 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.150 -13.817 12.706 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.403 -14.396 14.387 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.692 -14.827 13.089 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.059 -16.051 13.760 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.725 -16.109 12.111 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.052 -16.634 12.413 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.210 -12.617 13.975 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.674 -12.499 12.283 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.438 -12.061 13.601 1.00 25.00 H new ATOM 908 N LYS A 54 -0.356 -16.305 9.822 1.00 25.00 N ATOM 909 CA LYS A 54 0.606 -17.225 9.205 1.00 25.00 C ATOM 910 C LYS A 54 1.306 -16.526 8.034 1.00 25.00 C ATOM 911 O LYS A 54 2.481 -16.749 7.781 1.00 25.00 O ATOM 912 CB LYS A 54 -0.098 -18.497 8.716 1.00 25.00 C ATOM 913 CG LYS A 54 -0.844 -19.278 9.816 1.00 25.00 C ATOM 914 CD LYS A 54 0.079 -19.973 10.812 1.00 25.00 C ATOM 915 CE LYS A 54 -0.730 -20.517 12.000 1.00 25.00 C ATOM 916 NZ LYS A 54 -1.821 -21.469 11.575 1.00 25.00 N ATOM 0 H LYS A 54 -1.335 -16.568 9.710 1.00 25.00 H new ATOM 0 HA LYS A 54 1.347 -17.511 9.951 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.808 -18.226 7.935 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.642 -19.154 8.260 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -1.496 -18.592 10.357 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.485 -20.024 9.347 1.00 25.00 H new ATOM 0 HD2 LYS A 54 0.608 -20.789 10.320 1.00 25.00 H new ATOM 0 HD3 LYS A 54 0.834 -19.272 11.168 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -0.057 -21.027 12.689 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -1.173 -19.683 12.545 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -2.245 -21.909 12.417 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -2.552 -20.947 11.051 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -1.418 -22.208 10.964 1.00 25.00 H new ATOM 930 N ARG A 55 0.580 -15.651 7.350 1.00 25.00 N ATOM 931 CA ARG A 55 1.115 -14.896 6.205 1.00 25.00 C ATOM 932 C ARG A 55 1.915 -13.683 6.685 1.00 25.00 C ATOM 933 O ARG A 55 2.782 -13.189 5.982 1.00 25.00 O ATOM 934 CB ARG A 55 -0.037 -14.407 5.308 1.00 25.00 C ATOM 935 CG ARG A 55 -1.006 -15.506 4.829 1.00 25.00 C ATOM 936 CD ARG A 55 -0.553 -16.170 3.533 1.00 25.00 C ATOM 937 NE ARG A 55 -1.442 -17.288 3.166 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.370 -17.994 2.041 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.486 -17.757 1.110 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.216 -18.967 1.851 1.00 25.00 N ATOM 0 H ARG A 55 -0.394 -15.439 7.566 1.00 25.00 H new ATOM 0 HA ARG A 55 1.769 -15.560 5.640 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.607 -13.655 5.853 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.388 -13.913 4.434 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -1.101 -16.264 5.606 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -1.996 -15.073 4.683 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.540 -15.434 2.729 1.00 25.00 H new ATOM 0 HD3 ARG A 55 0.467 -16.536 3.646 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.173 -17.541 3.831 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.190 -17.002 1.229 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.471 -18.327 0.264 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.919 -19.177 2.559 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.175 -19.518 0.994 1.00 25.00 H new ATOM 954 N TRP A 56 1.601 -13.203 7.879 1.00 25.00 N ATOM 955 CA TRP A 56 2.266 -12.035 8.467 1.00 25.00 C ATOM 956 C TRP A 56 3.543 -12.424 9.214 1.00 25.00 C ATOM 957 O TRP A 56 4.469 -11.630 9.325 1.00 25.00 O ATOM 958 CB TRP A 56 1.292 -11.342 9.425 1.00 25.00 C ATOM 959 CG TRP A 56 1.776 -10.020 9.984 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.080 -9.737 11.279 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.995 -8.787 9.265 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.458 -8.434 11.437 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.418 -7.813 10.220 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.880 -8.406 7.913 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.726 -6.485 9.860 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.197 -7.070 7.544 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.612 -6.124 8.529 1.00 25.00 C ATOM 0 H TRP A 56 0.878 -13.608 8.473 1.00 25.00 H new ATOM 0 HA TRP A 56 2.553 -11.359 7.661 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.349 -11.176 8.903 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.082 -12.016 10.256 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.029 -10.455 12.084 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.726 -7.996 12.318 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.556 -9.118 7.168 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.043 -5.768 10.603 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.123 -6.768 6.510 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.840 -5.111 8.231 1.00 25.00 H new ATOM 978 N ARG A 57 3.600 -13.656 9.707 1.00 25.00 N ATOM 979 CA ARG A 57 4.762 -14.137 10.467 1.00 25.00 C ATOM 980 C ARG A 57 6.058 -14.015 9.675 1.00 25.00 C ATOM 981 O ARG A 57 7.020 -13.426 10.148 1.00 25.00 O ATOM 982 CB ARG A 57 4.538 -15.578 10.924 1.00 25.00 C ATOM 983 CG ARG A 57 4.069 -15.664 12.380 1.00 25.00 C ATOM 984 CD ARG A 57 3.414 -17.006 12.675 1.00 25.00 C ATOM 985 NE ARG A 57 3.523 -17.372 14.105 1.00 25.00 N ATOM 986 CZ ARG A 57 2.584 -17.198 15.035 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.415 -16.674 14.777 1.00 25.00 N ATOM 988 NH2 ARG A 57 2.834 -17.566 16.260 1.00 25.00 N ATOM 0 H ARG A 57 2.857 -14.346 9.597 1.00 25.00 H new ATOM 0 HA ARG A 57 4.865 -13.500 11.345 1.00 25.00 H new ATOM 0 HB2 ARG A 57 3.797 -16.050 10.278 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.465 -16.140 10.810 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.919 -15.518 13.047 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.362 -14.860 12.584 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.363 -16.967 12.390 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.881 -17.780 12.066 1.00 25.00 H new ATOM 0 HE ARG A 57 4.399 -17.798 14.407 1.00 25.00 H new ATOM 0 HH11 ARG A 57 1.187 -16.377 13.828 1.00 25.00 H new ATOM 0 HH12 ARG A 57 0.730 -16.562 15.524 1.00 25.00 H new ATOM 0 HH21 ARG A 57 3.736 -17.980 16.494 1.00 25.00 H new ATOM 0 HH22 ARG A 57 2.127 -17.440 16.985 1.00 25.00 H new ATOM 1002 N ARG A 58 6.032 -14.489 8.435 1.00 25.00 N ATOM 1003 CA ARG A 58 7.199 -14.406 7.538 1.00 25.00 C ATOM 1004 C ARG A 58 7.701 -12.996 7.306 1.00 25.00 C ATOM 1005 O ARG A 58 8.829 -12.812 6.911 1.00 25.00 O ATOM 1006 CB ARG A 58 6.874 -15.015 6.177 1.00 25.00 C ATOM 1007 CG ARG A 58 5.859 -14.219 5.405 1.00 25.00 C ATOM 1008 CD ARG A 58 5.407 -14.909 4.164 1.00 25.00 C ATOM 1009 NE ARG A 58 4.242 -14.191 3.632 1.00 25.00 N ATOM 1010 CZ ARG A 58 3.548 -14.531 2.557 1.00 25.00 C ATOM 1011 NH1 ARG A 58 3.862 -15.565 1.819 1.00 25.00 N ATOM 1012 NH2 ARG A 58 2.514 -13.813 2.239 1.00 25.00 N ATOM 0 H ARG A 58 5.216 -14.938 8.018 1.00 25.00 H new ATOM 0 HA ARG A 58 7.986 -14.962 8.048 1.00 25.00 H new ATOM 0 HB2 ARG A 58 7.790 -15.091 5.591 1.00 25.00 H new ATOM 0 HB3 ARG A 58 6.501 -16.029 6.319 1.00 25.00 H new ATOM 0 HG2 ARG A 58 4.996 -14.024 6.042 1.00 25.00 H new ATOM 0 HG3 ARG A 58 6.286 -13.251 5.142 1.00 25.00 H new ATOM 0 HD2 ARG A 58 6.210 -14.928 3.427 1.00 25.00 H new ATOM 0 HD3 ARG A 58 5.148 -15.946 4.380 1.00 25.00 H new ATOM 0 HE ARG A 58 3.941 -13.356 4.135 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.667 -16.142 2.065 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.302 -15.794 0.998 1.00 25.00 H new ATOM 0 HH21 ARG A 58 2.255 -13.010 2.812 1.00 25.00 H new ATOM 0 HH22 ARG A 58 1.961 -14.052 1.416 1.00 25.00 H new ATOM 1026 N VAL A 59 6.853 -11.998 7.493 1.00 25.00 N ATOM 1027 CA VAL A 59 7.243 -10.632 7.186 1.00 25.00 C ATOM 1028 C VAL A 59 8.238 -10.174 8.237 1.00 25.00 C ATOM 1029 O VAL A 59 9.196 -9.467 7.947 1.00 25.00 O ATOM 1030 CB VAL A 59 6.015 -9.681 7.169 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.412 -8.273 6.746 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.958 -10.220 6.222 1.00 25.00 C ATOM 0 H VAL A 59 5.904 -12.105 7.851 1.00 25.00 H new ATOM 0 HA VAL A 59 7.692 -10.603 6.193 1.00 25.00 H new ATOM 0 HB VAL A 59 5.612 -9.632 8.181 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.531 -7.632 6.744 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.148 -7.877 7.446 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.842 -8.302 5.745 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.099 -9.548 6.215 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.372 -10.290 5.216 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.642 -11.209 6.554 1.00 25.00 H new ATOM 1042 N GLY A 60 8.028 -10.634 9.459 1.00 25.00 N ATOM 1043 CA GLY A 60 8.924 -10.296 10.541 1.00 25.00 C ATOM 1044 C GLY A 60 10.228 -11.040 10.399 1.00 25.00 C ATOM 1045 O GLY A 60 11.296 -10.489 10.650 1.00 25.00 O ATOM 0 H GLY A 60 7.249 -11.238 9.721 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.110 -9.222 10.545 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.460 -10.543 11.496 1.00 25.00 H new ATOM 1049 N ASP A 61 10.141 -12.276 9.929 1.00 25.00 N ATOM 1050 CA ASP A 61 11.331 -13.088 9.674 1.00 25.00 C ATOM 1051 C ASP A 61 12.145 -12.410 8.564 1.00 25.00 C ATOM 1052 O ASP A 61 13.367 -12.326 8.619 1.00 25.00 O ATOM 1053 CB ASP A 61 10.929 -14.509 9.244 1.00 25.00 C ATOM 1054 CG ASP A 61 10.063 -15.221 10.284 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.354 -15.122 11.492 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.058 -15.858 9.883 1.00 25.00 O ATOM 0 H ASP A 61 9.260 -12.742 9.715 1.00 25.00 H new ATOM 0 HA ASP A 61 11.928 -13.168 10.583 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.387 -14.458 8.300 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.829 -15.097 9.063 1.00 25.00 H new ATOM 1061 N CYS A 62 11.437 -11.861 7.585 1.00 25.00 N ATOM 1062 CA CYS A 62 12.057 -11.121 6.490 1.00 25.00 C ATOM 1063 C CYS A 62 12.756 -9.858 6.990 1.00 25.00 C ATOM 1064 O CYS A 62 13.857 -9.553 6.549 1.00 25.00 O ATOM 1065 CB CYS A 62 10.998 -10.730 5.457 1.00 25.00 C ATOM 1066 SG CYS A 62 11.272 -11.463 3.821 1.00 25.00 S ATOM 0 H CYS A 62 10.420 -11.915 7.526 1.00 25.00 H new ATOM 0 HA CYS A 62 12.803 -11.772 6.035 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.017 -11.034 5.822 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.980 -9.644 5.361 1.00 25.00 H new ATOM 0 HG CYS A 62 11.108 -10.555 2.906 1.00 25.00 H new ATOM 1072 N PHE A 63 12.144 -9.130 7.920 1.00 25.00 N ATOM 1073 CA PHE A 63 12.789 -7.931 8.463 1.00 25.00 C ATOM 1074 C PHE A 63 14.073 -8.328 9.162 1.00 25.00 C ATOM 1075 O PHE A 63 15.045 -7.593 9.120 1.00 25.00 O ATOM 1076 CB PHE A 63 11.929 -7.200 9.502 1.00 25.00 C ATOM 1077 CG PHE A 63 10.663 -6.591 8.959 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.652 -5.891 7.737 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.469 -6.677 9.702 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.458 -5.302 7.255 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.278 -6.085 9.228 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.274 -5.401 8.002 1.00 25.00 C ATOM 0 H PHE A 63 11.224 -9.339 8.308 1.00 25.00 H new ATOM 0 HA PHE A 63 12.958 -7.266 7.616 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.667 -7.901 10.294 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.528 -6.412 9.959 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.562 -5.803 7.163 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.465 -7.202 10.646 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.458 -4.776 6.312 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.370 -6.158 9.808 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.363 -4.952 7.635 1.00 25.00 H new ATOM 1092 N GLN A 64 14.065 -9.477 9.823 1.00 25.00 N ATOM 1093 CA GLN A 64 15.230 -9.927 10.572 1.00 25.00 C ATOM 1094 C GLN A 64 16.385 -10.252 9.634 1.00 25.00 C ATOM 1095 O GLN A 64 17.522 -9.926 9.925 1.00 25.00 O ATOM 1096 CB GLN A 64 14.876 -11.147 11.426 1.00 25.00 C ATOM 1097 CG GLN A 64 15.974 -11.550 12.399 1.00 25.00 C ATOM 1098 CD GLN A 64 15.567 -12.721 13.263 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.732 -12.595 14.144 1.00 25.00 O ATOM 1100 NE2 GLN A 64 16.154 -13.862 13.015 1.00 25.00 N ATOM 0 H GLN A 64 13.268 -10.113 9.856 1.00 25.00 H new ATOM 0 HA GLN A 64 15.545 -9.118 11.232 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.965 -10.936 11.986 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.658 -11.989 10.769 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.875 -11.807 11.842 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.224 -10.701 13.035 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.847 -13.927 12.270 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.919 -14.687 13.567 1.00 25.00 H new ATOM 1109 N ASP A 65 16.106 -10.863 8.495 1.00 25.00 N ATOM 1110 CA ASP A 65 17.186 -11.203 7.569 1.00 25.00 C ATOM 1111 C ASP A 65 17.680 -9.968 6.820 1.00 25.00 C ATOM 1112 O ASP A 65 18.868 -9.810 6.553 1.00 25.00 O ATOM 1113 CB ASP A 65 16.740 -12.280 6.590 1.00 25.00 C ATOM 1114 CG ASP A 65 17.885 -13.194 6.176 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.835 -13.367 6.981 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.812 -13.781 5.078 1.00 25.00 O ATOM 0 H ASP A 65 15.170 -11.130 8.190 1.00 25.00 H new ATOM 0 HA ASP A 65 18.016 -11.595 8.156 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.948 -12.876 7.044 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.315 -11.809 5.704 1.00 25.00 H new ATOM 1121 N TYR A 66 16.772 -9.042 6.556 1.00 25.00 N ATOM 1122 CA TYR A 66 17.145 -7.768 5.945 1.00 25.00 C ATOM 1123 C TYR A 66 18.038 -7.004 6.940 1.00 25.00 C ATOM 1124 O TYR A 66 19.031 -6.375 6.563 1.00 25.00 O ATOM 1125 CB TYR A 66 15.874 -6.980 5.610 1.00 25.00 C ATOM 1126 CG TYR A 66 15.998 -6.040 4.426 1.00 25.00 C ATOM 1127 CD1 TYR A 66 16.961 -5.011 4.398 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.136 -6.178 3.316 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.061 -4.143 3.278 1.00 25.00 C ATOM 1130 CE2 TYR A 66 15.223 -5.298 2.207 1.00 25.00 C ATOM 1131 CZ TYR A 66 16.185 -4.293 2.200 1.00 25.00 C ATOM 1132 OH TYR A 66 16.263 -3.441 1.128 1.00 25.00 O ATOM 0 H TYR A 66 15.776 -9.144 6.752 1.00 25.00 H new ATOM 0 HA TYR A 66 17.698 -7.920 5.018 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.068 -7.686 5.411 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.582 -6.401 6.486 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.629 -4.881 5.236 1.00 25.00 H new ATOM 0 HD2 TYR A 66 14.398 -6.967 3.311 1.00 25.00 H new ATOM 0 HE1 TYR A 66 17.813 -3.368 3.260 1.00 25.00 H new ATOM 0 HE2 TYR A 66 14.546 -5.408 1.373 1.00 25.00 H new ATOM 0 HH TYR A 66 15.361 -3.247 0.798 1.00 25.00 H new ATOM 1142 N PHE A 67 17.709 -7.118 8.222 1.00 25.00 N ATOM 1143 CA PHE A 67 18.508 -6.519 9.295 1.00 25.00 C ATOM 1144 C PHE A 67 19.870 -7.215 9.405 1.00 25.00 C ATOM 1145 O PHE A 67 20.873 -6.564 9.647 1.00 25.00 O ATOM 1146 CB PHE A 67 17.744 -6.629 10.625 1.00 25.00 C ATOM 1147 CG PHE A 67 18.372 -5.872 11.766 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.469 -6.407 12.469 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.843 -4.632 12.170 1.00 25.00 C ATOM 1150 CE1 PHE A 67 20.043 -5.706 13.557 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.398 -3.931 13.262 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.505 -4.466 13.955 1.00 25.00 C ATOM 0 H PHE A 67 16.886 -7.624 8.550 1.00 25.00 H new ATOM 0 HA PHE A 67 18.681 -5.468 9.065 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.728 -6.264 10.478 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.668 -7.681 10.901 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.877 -7.363 12.175 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.002 -4.212 11.638 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.891 -6.121 14.081 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.976 -2.985 13.567 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.937 -3.928 14.786 1.00 25.00 H new ATOM 1162 N ASN A 68 19.921 -8.523 9.184 1.00 25.00 N ATOM 1163 CA ASN A 68 21.199 -9.247 9.226 1.00 25.00 C ATOM 1164 C ASN A 68 22.110 -8.752 8.108 1.00 25.00 C ATOM 1165 O ASN A 68 23.327 -8.720 8.254 1.00 25.00 O ATOM 1166 CB ASN A 68 21.003 -10.761 9.031 1.00 25.00 C ATOM 1167 CG ASN A 68 20.305 -11.422 10.188 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.408 -10.996 11.329 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.616 -12.496 9.905 1.00 25.00 N ATOM 0 H ASN A 68 19.108 -9.103 8.976 1.00 25.00 H new ATOM 0 HA ASN A 68 21.640 -9.064 10.206 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.427 -10.932 8.122 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.976 -11.231 8.885 1.00 25.00 H new ATOM 0 HD21 ASN A 68 19.142 -13.008 10.649 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.552 -12.822 8.940 1.00 25.00 H new ATOM 1176 N THR A 69 21.511 -8.404 6.980 1.00 25.00 N ATOM 1177 CA THR A 69 22.270 -7.996 5.801 1.00 25.00 C ATOM 1178 C THR A 69 22.808 -6.563 5.893 1.00 25.00 C ATOM 1179 O THR A 69 23.945 -6.302 5.507 1.00 25.00 O ATOM 1180 CB THR A 69 21.388 -8.116 4.529 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.780 -9.411 4.490 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.213 -7.966 3.262 1.00 25.00 C ATOM 0 H THR A 69 20.499 -8.395 6.853 1.00 25.00 H new ATOM 0 HA THR A 69 23.127 -8.668 5.745 1.00 25.00 H new ATOM 0 HB THR A 69 20.641 -7.323 4.575 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.089 -9.469 5.182 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.563 -8.056 2.392 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.695 -6.989 3.256 1.00 25.00 H new ATOM 0 HG23 THR A 69 22.973 -8.746 3.229 1.00 25.00 H new ATOM 1190 N PHE A 70 21.986 -5.625 6.357 1.00 25.00 N ATOM 1191 CA PHE A 70 22.366 -4.202 6.343 1.00 25.00 C ATOM 1192 C PHE A 70 22.332 -3.478 7.695 1.00 25.00 C ATOM 1193 O PHE A 70 22.563 -2.272 7.764 1.00 25.00 O ATOM 1194 CB PHE A 70 21.465 -3.453 5.368 1.00 25.00 C ATOM 1195 CG PHE A 70 21.581 -3.925 3.949 1.00 25.00 C ATOM 1196 CD1 PHE A 70 22.736 -3.641 3.197 1.00 25.00 C ATOM 1197 CD2 PHE A 70 20.535 -4.646 3.348 1.00 25.00 C ATOM 1198 CE1 PHE A 70 22.850 -4.071 1.852 1.00 25.00 C ATOM 1199 CE2 PHE A 70 20.629 -5.073 2.000 1.00 25.00 C ATOM 1200 CZ PHE A 70 21.791 -4.783 1.252 1.00 25.00 C ATOM 0 H PHE A 70 21.062 -5.814 6.744 1.00 25.00 H new ATOM 0 HA PHE A 70 23.413 -4.199 6.041 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.429 -3.557 5.692 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.706 -2.391 5.408 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.545 -3.088 3.651 1.00 25.00 H new ATOM 0 HD2 PHE A 70 19.649 -4.877 3.920 1.00 25.00 H new ATOM 0 HE1 PHE A 70 23.745 -3.854 1.288 1.00 25.00 H new ATOM 0 HE2 PHE A 70 19.815 -5.618 1.546 1.00 25.00 H new ATOM 0 HZ PHE A 70 21.868 -5.105 0.224 1.00 25.00 H new ATOM 1210 N GLY A 71 22.063 -4.193 8.770 1.00 25.00 N ATOM 1211 CA GLY A 71 22.099 -3.587 10.089 1.00 25.00 C ATOM 1212 C GLY A 71 20.941 -2.656 10.427 1.00 25.00 C ATOM 1213 O GLY A 71 19.954 -2.546 9.679 1.00 25.00 O ATOM 0 H GLY A 71 21.820 -5.183 8.759 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.128 -4.383 10.833 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.029 -3.027 10.185 1.00 25.00 H new ATOM 1217 N PRO A 72 21.035 -1.952 11.573 1.00 25.00 N ATOM 1218 CA PRO A 72 19.958 -1.076 12.052 1.00 25.00 C ATOM 1219 C PRO A 72 19.780 0.230 11.285 1.00 25.00 C ATOM 1220 O PRO A 72 18.807 0.950 11.504 1.00 25.00 O ATOM 1221 CB PRO A 72 20.375 -0.791 13.497 1.00 25.00 C ATOM 1222 CG PRO A 72 21.846 -0.825 13.455 1.00 25.00 C ATOM 1223 CD PRO A 72 22.163 -1.971 12.527 1.00 25.00 C ATOM 0 HA PRO A 72 18.990 -1.562 11.927 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.007 0.178 13.835 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.978 -1.540 14.182 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.256 0.114 13.083 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.269 -0.987 14.446 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.119 -1.829 12.023 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.222 -2.919 13.062 1.00 25.00 H new ATOM 1231 N GLU A 73 20.711 0.555 10.400 1.00 25.00 N ATOM 1232 CA GLU A 73 20.601 1.785 9.620 1.00 25.00 C ATOM 1233 C GLU A 73 19.624 1.610 8.456 1.00 25.00 C ATOM 1234 O GLU A 73 18.996 2.573 8.020 1.00 25.00 O ATOM 1235 CB GLU A 73 21.981 2.233 9.120 1.00 25.00 C ATOM 1236 CG GLU A 73 22.674 1.264 8.170 1.00 25.00 C ATOM 1237 CD GLU A 73 24.056 1.757 7.774 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.923 1.876 8.668 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.264 2.065 6.581 1.00 25.00 O ATOM 0 H GLU A 73 21.541 -0.005 10.204 1.00 25.00 H new ATOM 0 HA GLU A 73 20.206 2.566 10.270 1.00 25.00 H new ATOM 0 HB2 GLU A 73 21.873 3.194 8.618 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.627 2.395 9.983 1.00 25.00 H new ATOM 0 HG2 GLU A 73 22.759 0.287 8.645 1.00 25.00 H new ATOM 0 HG3 GLU A 73 22.065 1.132 7.276 1.00 25.00 H new ATOM 1246 N LYS A 74 19.463 0.380 7.975 1.00 25.00 N ATOM 1247 CA LYS A 74 18.533 0.117 6.872 1.00 25.00 C ATOM 1248 C LYS A 74 17.177 -0.324 7.394 1.00 25.00 C ATOM 1249 O LYS A 74 16.146 0.105 6.874 1.00 25.00 O ATOM 1250 CB LYS A 74 19.109 -0.936 5.928 1.00 25.00 C ATOM 1251 CG LYS A 74 18.909 -0.635 4.426 1.00 25.00 C ATOM 1252 CD LYS A 74 17.432 -0.643 4.001 1.00 25.00 C ATOM 1253 CE LYS A 74 17.292 -0.563 2.480 1.00 25.00 C ATOM 1254 NZ LYS A 74 15.845 -0.653 2.044 1.00 25.00 N ATOM 0 H LYS A 74 19.955 -0.443 8.323 1.00 25.00 H new ATOM 0 HA LYS A 74 18.396 1.046 6.318 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.176 -1.036 6.126 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.651 -1.898 6.156 1.00 25.00 H new ATOM 0 HG2 LYS A 74 19.342 0.339 4.196 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.454 -1.373 3.838 1.00 25.00 H new ATOM 0 HD2 LYS A 74 16.951 -1.551 4.366 1.00 25.00 H new ATOM 0 HD3 LYS A 74 16.914 0.199 4.461 1.00 25.00 H new ATOM 0 HE2 LYS A 74 17.721 0.373 2.124 1.00 25.00 H new ATOM 0 HE3 LYS A 74 17.861 -1.370 2.019 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 15.656 -1.601 1.661 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 15.225 -0.480 2.861 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 15.658 0.060 1.311 1.00 25.00 H new ATOM 1268 N VAL A 75 17.156 -1.147 8.433 1.00 25.00 N ATOM 1269 CA VAL A 75 15.881 -1.513 9.047 1.00 25.00 C ATOM 1270 C VAL A 75 15.915 -0.978 10.470 1.00 25.00 C ATOM 1271 O VAL A 75 16.832 -1.283 11.221 1.00 25.00 O ATOM 1272 CB VAL A 75 15.723 -3.068 9.089 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.382 -3.483 9.727 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.827 -3.658 7.681 1.00 25.00 C ATOM 0 H VAL A 75 17.981 -1.566 8.862 1.00 25.00 H new ATOM 0 HA VAL A 75 15.048 -1.101 8.477 1.00 25.00 H new ATOM 0 HB VAL A 75 16.532 -3.460 9.705 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.306 -4.570 9.740 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.332 -3.104 10.748 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.559 -3.069 9.145 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.715 -4.741 7.731 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.041 -3.240 7.052 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.800 -3.414 7.255 1.00 25.00 H new ATOM 1284 N PRO A 76 14.861 -0.269 10.903 1.00 25.00 N ATOM 1285 CA PRO A 76 14.926 0.176 12.295 1.00 25.00 C ATOM 1286 C PRO A 76 14.473 -0.906 13.259 1.00 25.00 C ATOM 1287 O PRO A 76 13.630 -1.734 12.926 1.00 25.00 O ATOM 1288 CB PRO A 76 13.966 1.360 12.312 1.00 25.00 C ATOM 1289 CG PRO A 76 12.932 1.012 11.305 1.00 25.00 C ATOM 1290 CD PRO A 76 13.656 0.242 10.219 1.00 25.00 C ATOM 0 HA PRO A 76 15.938 0.426 12.613 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.527 1.501 13.300 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.476 2.288 12.054 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.140 0.409 11.750 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.462 1.909 10.901 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.043 -0.569 9.826 1.00 25.00 H new ATOM 0 HD3 PRO A 76 13.914 0.883 9.376 1.00 25.00 H new ATOM 1298 N VAL A 77 14.945 -0.853 14.493 1.00 25.00 N ATOM 1299 CA VAL A 77 14.494 -1.808 15.504 1.00 25.00 C ATOM 1300 C VAL A 77 13.006 -1.598 15.822 1.00 25.00 C ATOM 1301 O VAL A 77 12.319 -2.513 16.270 1.00 25.00 O ATOM 1302 CB VAL A 77 15.353 -1.720 16.798 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.808 -2.113 16.491 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.313 -0.301 17.407 1.00 25.00 C ATOM 0 H VAL A 77 15.630 -0.172 14.821 1.00 25.00 H new ATOM 0 HA VAL A 77 14.622 -2.809 15.093 1.00 25.00 H new ATOM 0 HB VAL A 77 14.932 -2.413 17.526 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.402 -2.049 17.402 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.837 -3.134 16.111 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.218 -1.435 15.742 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.924 -0.275 18.310 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.703 0.416 16.685 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.284 -0.041 17.657 1.00 25.00 H new ATOM 1314 N THR A 78 12.482 -0.415 15.520 1.00 25.00 N ATOM 1315 CA THR A 78 11.062 -0.148 15.741 1.00 25.00 C ATOM 1316 C THR A 78 10.198 -0.846 14.703 1.00 25.00 C ATOM 1317 O THR A 78 9.014 -1.036 14.925 1.00 25.00 O ATOM 1318 CB THR A 78 10.731 1.370 15.756 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.509 1.583 16.464 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.585 1.955 14.376 1.00 25.00 C ATOM 0 H THR A 78 13.009 0.365 15.127 1.00 25.00 H new ATOM 0 HA THR A 78 10.834 -0.550 16.728 1.00 25.00 H new ATOM 0 HB THR A 78 11.569 1.868 16.244 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.883 0.857 16.261 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.354 3.017 14.454 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.517 1.825 13.825 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.778 1.446 13.849 1.00 25.00 H new ATOM 1328 N ALA A 79 10.776 -1.275 13.586 1.00 25.00 N ATOM 1329 CA ALA A 79 9.987 -1.972 12.576 1.00 25.00 C ATOM 1330 C ALA A 79 9.460 -3.278 13.156 1.00 25.00 C ATOM 1331 O ALA A 79 8.332 -3.660 12.895 1.00 25.00 O ATOM 1332 CB ALA A 79 10.820 -2.231 11.337 1.00 25.00 C ATOM 0 H ALA A 79 11.764 -1.157 13.360 1.00 25.00 H new ATOM 0 HA ALA A 79 9.142 -1.347 12.286 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.215 -2.752 10.594 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.164 -1.282 10.925 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.681 -2.846 11.599 1.00 25.00 H new ATOM 1338 N PHE A 80 10.262 -3.926 13.986 1.00 25.00 N ATOM 1339 CA PHE A 80 9.851 -5.169 14.634 1.00 25.00 C ATOM 1340 C PHE A 80 8.780 -4.902 15.688 1.00 25.00 C ATOM 1341 O PHE A 80 7.920 -5.739 15.946 1.00 25.00 O ATOM 1342 CB PHE A 80 11.061 -5.830 15.294 1.00 25.00 C ATOM 1343 CG PHE A 80 12.170 -6.149 14.331 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.199 -7.386 13.664 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.196 -5.214 14.082 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.236 -7.692 12.759 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.235 -5.503 13.168 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.255 -6.746 12.505 1.00 25.00 C ATOM 0 H PHE A 80 11.202 -3.615 14.229 1.00 25.00 H new ATOM 0 HA PHE A 80 9.436 -5.832 13.875 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.445 -5.171 16.073 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.740 -6.749 15.784 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.419 -8.110 13.847 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.188 -4.264 14.596 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.252 -8.650 12.260 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.010 -4.775 12.979 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.046 -6.975 11.806 1.00 25.00 H new ATOM 1358 N SER A 81 8.827 -3.723 16.287 1.00 25.00 N ATOM 1359 CA SER A 81 7.857 -3.337 17.316 1.00 25.00 C ATOM 1360 C SER A 81 6.520 -3.019 16.655 1.00 25.00 C ATOM 1361 O SER A 81 5.469 -3.504 17.074 1.00 25.00 O ATOM 1362 CB SER A 81 8.360 -2.117 18.093 1.00 25.00 C ATOM 1363 OG SER A 81 7.471 -1.786 19.143 1.00 25.00 O ATOM 0 H SER A 81 9.527 -3.010 16.082 1.00 25.00 H new ATOM 0 HA SER A 81 7.731 -4.163 18.016 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.350 -2.323 18.500 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.464 -1.268 17.417 1.00 25.00 H new ATOM 0 HG SER A 81 7.812 -1.005 19.627 1.00 25.00 H new ATOM 1369 N TYR A 82 6.578 -2.265 15.568 1.00 25.00 N ATOM 1370 CA TYR A 82 5.397 -1.958 14.774 1.00 25.00 C ATOM 1371 C TYR A 82 4.807 -3.261 14.258 1.00 25.00 C ATOM 1372 O TYR A 82 3.626 -3.517 14.403 1.00 25.00 O ATOM 1373 CB TYR A 82 5.774 -1.072 13.585 1.00 25.00 C ATOM 1374 CG TYR A 82 5.540 0.403 13.817 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.263 0.958 13.603 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.587 1.262 14.232 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.032 2.346 13.782 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.355 2.659 14.407 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.074 3.182 14.171 1.00 25.00 C ATOM 1380 OH TYR A 82 4.795 4.518 14.308 1.00 25.00 O ATOM 0 H TYR A 82 7.439 -1.850 15.212 1.00 25.00 H new ATOM 0 HA TYR A 82 4.672 -1.429 15.392 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.826 -1.229 13.347 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.200 -1.388 12.714 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.448 0.318 13.298 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.570 0.856 14.418 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.046 2.754 13.616 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.159 3.309 14.719 1.00 25.00 H new ATOM 0 HH TYR A 82 5.329 5.031 13.666 1.00 25.00 H new ATOM 1390 N TRP A 83 5.651 -4.111 13.702 1.00 25.00 N ATOM 1391 CA TRP A 83 5.218 -5.399 13.180 1.00 25.00 C ATOM 1392 C TRP A 83 4.485 -6.224 14.235 1.00 25.00 C ATOM 1393 O TRP A 83 3.488 -6.880 13.939 1.00 25.00 O ATOM 1394 CB TRP A 83 6.445 -6.172 12.702 1.00 25.00 C ATOM 1395 CG TRP A 83 6.132 -7.547 12.247 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.703 -7.939 11.023 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.222 -8.755 13.026 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.504 -9.285 10.971 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.819 -9.826 12.183 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.607 -9.041 14.353 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.800 -11.156 12.620 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.590 -10.385 14.797 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.187 -11.431 13.919 1.00 25.00 C ATOM 0 H TRP A 83 6.650 -3.932 13.599 1.00 25.00 H new ATOM 0 HA TRP A 83 4.525 -5.218 12.358 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.915 -5.625 11.885 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.173 -6.222 13.512 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.539 -7.268 10.193 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.173 -9.804 10.158 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.910 -8.247 15.019 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.490 -11.950 11.957 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.885 -10.619 15.809 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.183 -12.452 14.272 1.00 25.00 H new ATOM 1414 N ASN A 84 4.970 -6.164 15.466 1.00 25.00 N ATOM 1415 CA ASN A 84 4.401 -6.934 16.577 1.00 25.00 C ATOM 1416 C ASN A 84 3.007 -6.436 16.929 1.00 25.00 C ATOM 1417 O ASN A 84 2.126 -7.220 17.276 1.00 25.00 O ATOM 1418 CB ASN A 84 5.294 -6.821 17.817 1.00 25.00 C ATOM 1419 CG ASN A 84 6.126 -8.053 18.046 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.629 -9.060 18.525 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.379 -7.988 17.709 1.00 25.00 N ATOM 0 H ASN A 84 5.767 -5.584 15.729 1.00 25.00 H new ATOM 0 HA ASN A 84 4.340 -7.975 16.259 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.951 -5.958 17.709 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.671 -6.640 18.693 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.985 -8.797 17.842 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.756 -7.128 17.312 1.00 25.00 H new ATOM 1428 N LEU A 85 2.820 -5.129 16.819 1.00 25.00 N ATOM 1429 CA LEU A 85 1.550 -4.482 17.143 1.00 25.00 C ATOM 1430 C LEU A 85 0.454 -4.921 16.180 1.00 25.00 C ATOM 1431 O LEU A 85 -0.695 -5.098 16.560 1.00 25.00 O ATOM 1432 CB LEU A 85 1.737 -2.966 17.072 1.00 25.00 C ATOM 1433 CG LEU A 85 0.545 -2.120 17.529 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.049 -0.999 18.419 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.203 -1.537 16.322 1.00 25.00 C ATOM 0 H LEU A 85 3.543 -4.483 16.502 1.00 25.00 H new ATOM 0 HA LEU A 85 1.246 -4.773 18.149 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.601 -2.698 17.679 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.975 -2.697 16.043 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.149 -2.751 18.084 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.207 -0.391 18.750 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.554 -1.423 19.287 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.749 -0.377 17.860 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.046 -0.940 16.670 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.474 -0.908 15.744 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.569 -2.349 15.694 1.00 25.00 H new ATOM 1447 N ILE A 86 0.812 -5.129 14.926 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.157 -5.622 13.956 1.00 25.00 C ATOM 1449 C ILE A 86 -0.243 -7.146 14.056 1.00 25.00 C ATOM 1450 O ILE A 86 -1.296 -7.730 13.817 1.00 25.00 O ATOM 1451 CB ILE A 86 0.188 -5.153 12.524 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.043 -3.621 12.446 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.773 -5.780 11.489 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.355 -2.842 12.476 1.00 25.00 C ATOM 0 H ILE A 86 1.749 -4.969 14.557 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.137 -5.204 14.186 1.00 25.00 H new ATOM 0 HB ILE A 86 1.209 -5.463 12.300 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.490 -3.369 11.529 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.578 -3.288 13.278 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.508 -5.434 10.490 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.693 -6.866 11.529 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.797 -5.483 11.716 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.145 -1.774 12.416 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.884 -3.056 13.404 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.974 -3.138 11.629 1.00 25.00 H new ATOM 1466 N LYS A 87 0.830 -7.798 14.477 1.00 25.00 N ATOM 1467 CA LYS A 87 0.800 -9.251 14.633 1.00 25.00 C ATOM 1468 C LYS A 87 -0.274 -9.652 15.639 1.00 25.00 C ATOM 1469 O LYS A 87 -1.015 -10.580 15.381 1.00 25.00 O ATOM 1470 CB LYS A 87 2.190 -9.811 15.010 1.00 25.00 C ATOM 1471 CG LYS A 87 2.258 -10.569 16.337 1.00 25.00 C ATOM 1472 CD LYS A 87 3.653 -11.064 16.625 1.00 25.00 C ATOM 1473 CE LYS A 87 3.709 -11.767 17.981 1.00 25.00 C ATOM 1474 NZ LYS A 87 3.462 -10.800 19.117 1.00 25.00 N ATOM 0 H LYS A 87 1.719 -7.358 14.714 1.00 25.00 H new ATOM 0 HA LYS A 87 0.540 -9.696 13.672 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.522 -10.477 14.214 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.898 -8.983 15.048 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.929 -9.917 17.146 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.570 -11.414 16.309 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.969 -11.751 15.840 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.350 -10.226 16.615 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.964 -12.563 18.011 1.00 25.00 H new ATOM 0 HE3 LYS A 87 4.684 -12.238 18.108 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 3.574 -11.295 20.025 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.146 -10.018 19.062 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 2.496 -10.421 19.046 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.402 -8.944 16.753 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.423 -9.302 17.742 1.00 25.00 C ATOM 1490 C GLU A 88 -2.821 -9.002 17.198 1.00 25.00 C ATOM 1491 O GLU A 88 -3.768 -9.731 17.479 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.186 -8.575 19.076 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.164 -7.063 18.967 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.994 -6.374 20.298 1.00 25.00 C ATOM 1495 OE1 GLU A 88 0.118 -6.412 20.864 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -1.958 -5.717 20.749 1.00 25.00 O ATOM 0 H GLU A 88 0.171 -8.136 16.996 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.349 -10.373 17.933 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.967 -8.866 19.779 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.238 -8.911 19.496 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.352 -6.765 18.304 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.092 -6.725 18.506 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.939 -7.965 16.379 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.223 -7.599 15.796 1.00 25.00 C ATOM 1505 C LEU A 89 -4.715 -8.674 14.839 1.00 25.00 C ATOM 1506 O LEU A 89 -5.894 -9.000 14.832 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.122 -6.259 15.060 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.153 -5.000 15.943 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.820 -3.767 15.097 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.531 -4.815 16.603 1.00 25.00 C ATOM 0 H LEU A 89 -2.163 -7.363 16.104 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.940 -7.503 16.611 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.196 -6.252 14.485 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.942 -6.197 14.345 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.410 -5.120 16.731 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.843 -2.877 15.726 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.826 -3.880 14.665 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.554 -3.665 14.298 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.521 -3.917 17.221 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.294 -4.716 15.831 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.755 -5.681 17.226 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.819 -9.237 14.043 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.209 -10.287 13.103 1.00 25.00 C ATOM 1524 C ILE A 90 -4.368 -11.623 13.839 1.00 25.00 C ATOM 1525 O ILE A 90 -5.297 -12.375 13.570 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.180 -10.470 11.953 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.948 -9.149 11.193 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.698 -11.504 10.935 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.763 -9.220 10.225 1.00 25.00 C ATOM 0 H ILE A 90 -2.829 -8.992 14.025 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.157 -9.976 12.663 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.247 -10.804 12.408 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.850 -8.892 10.637 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.777 -8.347 11.911 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.968 -11.623 10.134 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.849 -12.461 11.434 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.644 -11.160 10.516 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.649 -8.261 9.719 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.853 -9.448 10.780 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.943 -10.001 9.486 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.475 -11.913 14.778 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.518 -13.183 15.519 1.00 25.00 C ATOM 1543 C ASP A 91 -4.836 -13.305 16.277 1.00 25.00 C ATOM 1544 O ASP A 91 -5.387 -14.391 16.409 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.331 -13.271 16.492 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.126 -14.675 17.048 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.741 -15.003 18.084 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.278 -15.425 16.491 1.00 25.00 O ATOM 0 H ASP A 91 -2.712 -11.293 15.049 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.447 -14.007 14.809 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.423 -12.952 15.980 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.492 -12.578 17.318 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.371 -12.175 16.722 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.660 -12.150 17.418 1.00 25.00 C ATOM 1555 C LYS A 92 -7.745 -11.454 16.600 1.00 25.00 C ATOM 1556 O LYS A 92 -8.712 -10.940 17.159 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.496 -11.484 18.792 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.628 -12.297 19.756 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.393 -13.501 20.330 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.504 -14.741 20.440 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.404 -15.478 19.133 1.00 25.00 N ATOM 0 H LYS A 92 -4.934 -11.259 16.615 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.986 -13.181 17.555 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.054 -10.497 18.660 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.480 -11.335 19.236 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.736 -12.646 19.236 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.292 -11.657 20.572 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.785 -13.246 21.315 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.250 -13.724 19.694 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.507 -14.445 20.767 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.905 -15.408 21.203 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.835 -16.339 19.262 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.357 -15.739 18.808 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.951 -14.867 18.424 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.643 -11.498 15.274 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.692 -10.906 14.419 1.00 25.00 C ATOM 1577 C LYS A 93 -9.977 -11.713 14.554 1.00 25.00 C ATOM 1578 O LYS A 93 -11.064 -11.227 14.282 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.251 -10.803 12.950 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.212 -12.122 12.160 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.603 -11.863 10.781 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.474 -13.128 9.927 1.00 25.00 C ATOM 1583 NZ LYS A 93 -8.797 -13.565 9.364 1.00 25.00 N ATOM 0 H LYS A 93 -6.867 -11.925 14.768 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.873 -9.886 14.759 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.924 -10.116 12.437 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.257 -10.356 12.921 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.623 -12.865 12.698 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.218 -12.528 12.056 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.218 -11.136 10.251 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.617 -11.415 10.905 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.776 -12.944 9.111 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.054 -13.932 10.531 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -8.662 -13.923 8.397 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.196 -14.318 9.960 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.450 -12.756 9.345 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.819 -12.934 15.041 1.00 25.00 N ATOM 1598 CA GLU A 94 -10.923 -13.852 15.325 1.00 25.00 C ATOM 1599 C GLU A 94 -11.921 -13.289 16.344 1.00 25.00 C ATOM 1600 O GLU A 94 -13.108 -13.569 16.262 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.339 -15.172 15.865 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.151 -14.965 16.832 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.652 -16.250 17.470 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -8.756 -17.325 16.850 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.078 -16.159 18.580 1.00 25.00 O ATOM 0 H GLU A 94 -8.903 -13.327 15.256 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.470 -14.008 14.395 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.125 -15.725 16.379 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.013 -15.787 15.026 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.330 -14.496 16.290 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.450 -14.272 17.618 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.440 -12.485 17.286 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.297 -11.909 18.330 1.00 25.00 C ATOM 1614 C VAL A 95 -12.331 -10.389 18.211 1.00 25.00 C ATOM 1615 O VAL A 95 -12.883 -9.690 19.056 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.808 -12.326 19.754 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.925 -13.849 19.931 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.348 -11.891 19.996 1.00 25.00 C ATOM 0 H VAL A 95 -10.459 -12.213 17.353 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.305 -12.298 18.189 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.443 -11.823 20.483 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.581 -14.127 20.927 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.965 -14.151 19.809 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.312 -14.350 19.182 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.038 -12.196 20.996 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.701 -12.362 19.256 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.272 -10.807 19.908 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.740 -9.880 17.141 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.689 -8.441 16.892 1.00 25.00 C ATOM 1630 C ASN A 96 -12.275 -8.139 15.510 1.00 25.00 C ATOM 1631 O ASN A 96 -11.542 -7.973 14.531 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.242 -7.944 16.997 1.00 25.00 C ATOM 1633 CG ASN A 96 -10.142 -6.435 16.972 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.958 -5.747 16.366 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.150 -5.912 17.636 1.00 25.00 N ATOM 0 H ASN A 96 -11.285 -10.444 16.424 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.283 -7.918 17.641 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.799 -8.319 17.920 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.659 -8.357 16.173 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -9.033 -4.899 17.664 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.491 -6.516 18.128 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.613 -8.044 15.407 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.178 -7.791 14.076 1.00 25.00 C ATOM 1644 C PRO A 97 -13.874 -6.395 13.531 1.00 25.00 C ATOM 1645 O PRO A 97 -13.973 -6.162 12.328 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.680 -7.986 14.303 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.885 -7.615 15.724 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.675 -8.173 16.426 1.00 25.00 C ATOM 0 HA PRO A 97 -13.750 -8.452 13.323 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.269 -7.354 13.638 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.981 -9.016 14.113 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.955 -6.534 15.848 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.807 -8.042 16.119 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.438 -7.612 17.330 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.824 -9.211 16.725 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.480 -5.472 14.401 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.173 -4.111 13.978 1.00 25.00 C ATOM 1658 C GLN A 98 -11.958 -4.133 13.069 1.00 25.00 C ATOM 1659 O GLN A 98 -11.931 -3.472 12.027 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.887 -3.230 15.198 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.036 -1.750 14.938 1.00 25.00 C ATOM 1662 CD GLN A 98 -12.885 -0.954 16.209 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.792 -0.591 16.597 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -13.983 -0.690 16.869 1.00 25.00 N ATOM 0 H GLN A 98 -13.366 -5.641 15.400 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.028 -3.700 13.441 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.561 -3.516 16.005 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.873 -3.427 15.545 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.288 -1.428 14.214 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -14.013 -1.552 14.496 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.883 -1.012 16.512 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -13.940 -0.163 17.741 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.957 -4.914 13.457 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.752 -5.019 12.654 1.00 25.00 C ATOM 1675 C VAL A 99 -9.930 -6.058 11.559 1.00 25.00 C ATOM 1676 O VAL A 99 -9.364 -5.915 10.502 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.485 -5.315 13.514 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.344 -6.810 13.831 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.238 -4.809 12.789 1.00 25.00 C ATOM 0 H VAL A 99 -10.957 -5.474 14.309 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.589 -4.047 12.188 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.595 -4.790 14.463 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.449 -6.972 14.431 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.219 -7.148 14.386 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.264 -7.373 12.901 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.356 -5.018 13.394 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.147 -5.313 11.827 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.321 -3.734 12.628 1.00 25.00 H new ATOM 1689 N MET A 100 -10.757 -7.073 11.777 1.00 25.00 N ATOM 1690 CA MET A 100 -10.998 -8.097 10.757 1.00 25.00 C ATOM 1691 C MET A 100 -11.586 -7.452 9.498 1.00 25.00 C ATOM 1692 O MET A 100 -11.224 -7.804 8.386 1.00 25.00 O ATOM 1693 CB MET A 100 -11.956 -9.157 11.300 1.00 25.00 C ATOM 1694 CG MET A 100 -11.611 -10.605 10.939 1.00 25.00 C ATOM 1695 SD MET A 100 -11.310 -10.936 9.186 1.00 25.00 S ATOM 1696 CE MET A 100 -12.970 -10.772 8.477 1.00 25.00 C ATOM 0 H MET A 100 -11.272 -7.213 12.646 1.00 25.00 H new ATOM 0 HA MET A 100 -10.052 -8.574 10.500 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.989 -9.070 12.386 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.958 -8.938 10.932 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.724 -10.897 11.501 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.426 -11.246 11.275 1.00 25.00 H new ATOM 0 HE1 MET A 100 -12.926 -10.951 7.403 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.637 -11.500 8.939 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.347 -9.766 8.662 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.439 -6.453 9.677 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.992 -5.715 8.543 1.00 25.00 C ATOM 1708 C ALA A 101 -11.889 -4.969 7.772 1.00 25.00 C ATOM 1709 O ALA A 101 -11.987 -4.778 6.566 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.051 -4.732 9.037 1.00 25.00 C ATOM 0 H ALA A 101 -12.764 -6.134 10.590 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.451 -6.428 7.859 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.462 -4.183 8.189 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.850 -5.279 9.537 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.598 -4.031 9.738 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.837 -4.563 8.472 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.711 -3.882 7.844 1.00 25.00 C ATOM 1718 C ALA A 102 -8.816 -4.922 7.158 1.00 25.00 C ATOM 1719 O ALA A 102 -8.271 -4.666 6.095 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.914 -3.089 8.902 1.00 25.00 C ATOM 0 H ALA A 102 -10.740 -4.694 9.479 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.077 -3.177 7.097 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.075 -2.584 8.423 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.564 -2.349 9.368 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.539 -3.773 9.663 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.689 -6.096 7.763 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.890 -7.185 7.191 1.00 25.00 C ATOM 1728 C VAL A 103 -8.491 -7.583 5.856 1.00 25.00 C ATOM 1729 O VAL A 103 -7.794 -7.609 4.845 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.852 -8.431 8.138 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.183 -9.619 7.452 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.100 -8.095 9.440 1.00 25.00 C ATOM 0 H VAL A 103 -9.129 -6.324 8.654 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.867 -6.832 7.063 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.881 -8.700 8.377 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.170 -10.471 8.131 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.740 -9.881 6.552 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.161 -9.355 7.181 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.083 -8.972 10.087 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.078 -7.798 9.204 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.606 -7.277 9.952 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.793 -7.836 5.852 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.489 -8.239 4.640 1.00 25.00 C ATOM 1744 C ALA A 104 -10.381 -7.144 3.582 1.00 25.00 C ATOM 1745 O ALA A 104 -10.109 -7.422 2.424 1.00 25.00 O ATOM 1746 CB ALA A 104 -11.953 -8.541 4.963 1.00 25.00 C ATOM 0 H ALA A 104 -10.389 -7.769 6.677 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.027 -9.142 4.242 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.472 -8.843 4.053 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.005 -9.347 5.695 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.427 -7.649 5.372 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.546 -5.893 3.990 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.422 -4.793 3.045 1.00 25.00 C ATOM 1754 C GLN A 105 -9.025 -4.727 2.455 1.00 25.00 C ATOM 1755 O GLN A 105 -8.877 -4.457 1.284 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.745 -3.450 3.695 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.183 -3.016 3.474 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.391 -1.553 3.784 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.030 -0.680 3.001 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.961 -1.273 4.926 1.00 25.00 N ATOM 0 H GLN A 105 -10.762 -5.618 4.948 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.143 -4.987 2.251 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.551 -3.515 4.766 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.076 -2.688 3.295 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.464 -3.210 2.439 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.842 -3.616 4.101 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.248 -2.026 5.551 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.119 -0.301 5.192 1.00 25.00 H new ATOM 1769 N THR A 106 -7.992 -4.969 3.245 1.00 25.00 N ATOM 1770 CA THR A 106 -6.633 -4.879 2.719 1.00 25.00 C ATOM 1771 C THR A 106 -6.406 -5.989 1.686 1.00 25.00 C ATOM 1772 O THR A 106 -5.779 -5.756 0.658 1.00 25.00 O ATOM 1773 CB THR A 106 -5.579 -4.944 3.844 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.927 -4.022 4.876 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.201 -4.542 3.338 1.00 25.00 C ATOM 0 H THR A 106 -8.060 -5.224 4.230 1.00 25.00 H new ATOM 0 HA THR A 106 -6.516 -3.910 2.233 1.00 25.00 H new ATOM 0 HB THR A 106 -5.556 -5.971 4.209 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.714 -4.352 5.358 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.482 -4.599 4.156 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.896 -5.217 2.539 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.237 -3.522 2.957 1.00 25.00 H new ATOM 1783 N GLU A 107 -6.975 -7.167 1.912 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.894 -8.257 0.929 1.00 25.00 C ATOM 1785 C GLU A 107 -7.577 -7.845 -0.387 1.00 25.00 C ATOM 1786 O GLU A 107 -7.038 -8.079 -1.475 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.538 -9.540 1.486 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.773 -10.125 2.671 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.406 -11.384 3.252 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.517 -11.304 3.816 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.732 -12.446 3.232 1.00 25.00 O ATOM 0 H GLU A 107 -7.495 -7.398 2.758 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.842 -8.459 0.728 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.561 -9.323 1.793 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.594 -10.286 0.693 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.755 -10.354 2.357 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.703 -9.370 3.454 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.728 -7.189 -0.290 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.444 -6.700 -1.477 1.00 25.00 C ATOM 1800 C GLU A 108 -8.640 -5.613 -2.193 1.00 25.00 C ATOM 1801 O GLU A 108 -8.516 -5.612 -3.415 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.799 -6.088 -1.083 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.825 -7.070 -0.538 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.105 -6.363 -0.094 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.038 -5.494 0.810 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.178 -6.658 -0.664 1.00 25.00 O ATOM 0 H GLU A 108 -9.190 -6.980 0.595 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.589 -7.557 -2.135 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.626 -5.316 -0.333 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.223 -5.593 -1.957 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.064 -7.808 -1.303 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.397 -7.612 0.306 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.117 -4.673 -1.421 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.404 -3.511 -1.959 1.00 25.00 C ATOM 1815 C ILE A 109 -6.139 -3.918 -2.682 1.00 25.00 C ATOM 1816 O ILE A 109 -5.831 -3.368 -3.724 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.056 -2.508 -0.819 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.353 -1.832 -0.333 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.030 -1.427 -1.288 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.282 -1.297 1.089 1.00 25.00 C ATOM 0 H ILE A 109 -8.172 -4.689 -0.403 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.067 -3.028 -2.677 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.591 -3.062 -0.003 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.596 -1.010 -1.007 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.170 -2.550 -0.399 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.815 -0.748 -0.463 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.109 -1.914 -1.607 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.450 -0.864 -2.121 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.234 -0.837 1.353 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.072 -2.117 1.776 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.488 -0.553 1.159 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.416 -4.895 -2.166 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.169 -5.312 -2.805 1.00 25.00 C ATOM 1834 C LEU A 110 -4.441 -5.857 -4.210 1.00 25.00 C ATOM 1835 O LEU A 110 -3.676 -5.601 -5.132 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.459 -6.355 -1.930 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.459 -5.830 -0.870 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.759 -4.431 -0.292 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.381 -6.837 0.280 1.00 25.00 C ATOM 0 H LEU A 110 -5.660 -5.411 -1.321 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.514 -4.447 -2.908 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.222 -6.938 -1.414 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.924 -7.040 -2.588 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.513 -5.722 -1.400 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.994 -4.168 0.439 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.759 -3.697 -1.098 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.736 -4.439 0.192 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.679 -6.477 1.032 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.367 -6.953 0.730 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.041 -7.800 -0.102 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.545 -6.569 -4.382 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.936 -7.079 -5.699 1.00 25.00 C ATOM 1853 C LYS A 111 -6.651 -6.063 -6.589 1.00 25.00 C ATOM 1854 O LYS A 111 -6.559 -6.145 -7.806 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.823 -8.315 -5.516 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.143 -9.443 -4.729 1.00 25.00 C ATOM 1857 CD LYS A 111 -4.895 -9.941 -5.462 1.00 25.00 C ATOM 1858 CE LYS A 111 -4.126 -10.975 -4.670 1.00 25.00 C ATOM 1859 NZ LYS A 111 -4.990 -12.072 -4.125 1.00 25.00 N ATOM 0 H LYS A 111 -6.190 -6.810 -3.629 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.009 -7.324 -6.217 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.738 -8.023 -5.001 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.115 -8.691 -6.496 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -5.869 -9.086 -3.736 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.842 -10.268 -4.590 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -5.188 -10.368 -6.421 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -4.243 -9.095 -5.676 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -3.357 -11.411 -5.307 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -3.614 -10.482 -3.844 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -4.408 -12.727 -3.565 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -5.730 -11.663 -3.519 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -5.433 -12.588 -4.912 1.00 25.00 H new